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  • 1990-1994  (856)
  • 1994  (856)
  • Engineering General  (702)
  • crystal structure  (154)
  • 1
    Electronic Resource
    Electronic Resource
    The crystal and molecular structure of N-(methylsulfonyl)-N-(2,6)-(dimethylphenyl)methanesulfonamide (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 759-762 
    Details
    ISSN: 1572-8854
    Keywords: Sulfonamide ; methanesulfonanilide ; crystal structure ; molecular structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound, crystallizes in the triclinic space group $$P\bar 1$$ witha=8.232(4),b=9.159(2),c=10.230(3)Å. α=74.07(3)°, β=72.50(4)°, γ=63.65(3)° andZ=2. The structure was solved by direct methods and refined by full matrix least squares methods toR=0.054 for 1817 observed reflections. The plane containing the nitrogen and sulfur atoms is perpendicular to the aromatic plane. One of the S−O bonds in each methanesulfonyl group is in nearly eclipsed conformation with the N−C bond.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666966
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  • 2
    Electronic Resource
    Electronic Resource
    The crystal structure of calcium succinate monohydrate (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 437-440 
    Details
    ISSN: 1572-8854
    Keywords: Ca(C4H4O4)·H2O ; pentagonal pyramid ; calcium succinate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of calcium succinate monohydrate, Ca(C4H4O4)·H2O, has been determined by single crystal X-ray diffraction. The crystals are monoclinic witha=11.952(2),b=9.691(2),c=11.606(2)Å, β=108.81(1)°, space group C2/c,Z=8,V=1272.49 Å3,d m =1.80, andd c =1.818 Mg m−3. The structure was refined by full-matrix least-squares techniques toR=0.027,R w =0.040, for 829 reflections with1≥3δ(I). Ca is coordinated to seven oxygen atoms, and the coordination polyhedron is best described as a pentagonal bipyramid. One carboxylate group in the succinate ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion and unidentate bridge bonds to two other Ca ions. The other carboxylate group is bonded to two Ca ions through unidentate bonds. The structure is highly polymeric. The general structural features are nearly identical to those of calcium adipate monohydrate.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666091
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  • 3
    Electronic Resource
    Electronic Resource
    The W2Cl4(NHCMe3)2(PR 3)2 molecules (R 3=Me3, Et3, Pr n 3, Me2Ph) I. Their isomeric forms, interconversion proeesses, crystalline forms, and detailed molecular structures (1994)
    Springer
    Journal of cluster science 5 (1994), S. 11-36 
    Details
    ISSN: 1572-8862
    Keywords: Tungsten ; isomeric forms ; crystal structure ; triple bonds ; interconversion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A thorough study of compounds with the formula W2Cl4(NHCMe3)2(PR3)2, withR 3=Me3, Et3, Prg n 3 Me2,Ph, is reported. In addition to the previously reported crystalline compounds, namely Ia,trans-W2Cl4(NHCMe3)2(PMe3)2 in space group Pmmn;3a,trans-W2Cl4(NHCM3)2(PEt3)2 in space group P21/a (or P21/c); and4,cis-W2Cl4(NHCMe3)2(PMe2Ph)2 in Pna21, we have obtained and structurally characterized the following new substances,1b,trans-W2Cl4,(NHCMe3)2(PMe2)2, space group P21/c,a= 12.233 (4) Å,b= 12.872 (4) Å,c=17.095 (5) Å,β=93.52 (2)°,Z=4,V=2687 (1) Å3 2,cis-W2Cl4(NHCMe3)2(PMe3)2, P21/c,a=9.673 (4) Å,b=17.249 (4) Å,c=16.244 (5) Å,β=99.63 (3),Z = 4 ,V=2669 (1) Å.3b,trans-W2Cl4(NHCMe3)2(PEt3)2, Pl,a=16.850 (3) Å,b=17.797 (3) Å,c= 11.459 (2)Å,α= 101.02 (1),β= 103.13°, y=84.23 (1)°,Z=4,V= 3279 (1) Å5,trans-W2Cl4(NHCM3)2(PMe2Ph)2, Fdd2,a=39.563 (8) Å at 20°C; 39.325 (10) Å at -6O°C,b = 57.543 (17) Å at 20°C; 57.186 (16) Å at -60°C,c= 8.810 (1) Å at 20°C; 8.770 (1) Å at - 60°C ,Z=24,V=20057 (7) Å3 (20°C), 19723 (8) Å3 ( - 60°C) .6,trans-W2Cl4(NHCMe3 2(PPrn 3)2, Pl,a= 17.287 (2) Å (20°C); 17.077 (5) Å (-60°C),b= 19.119 (2) Å (20°C); 18.952 (6) Å (-60°C),c= 12.713 (1) Å (20°C); 12.668 (4) Å (-60°C),Z=4,V= 3980 (1) Å3 (20°C), 3898 (2) ,Å3 ( - 60°C). In addition, the structure of3a was re-determined and refined so that the disorder ratio was a refined parameter, leading to a value of 0.520:0.480 instead of being arbitrarily fixed at 0.50:0.50. In all of the structures the molecules are held in eclipsed (but very distorted) rotational conformations and the W-W distances are all within the range of 2.305-2.330 Å. As will be shown in a later paper, for all phosphines, thecis andtrans isomers are of similar stability and an equilibrium mixture exists in solution. It is also shown that1a and3a do not contain unexpectedly short W-N bonds as previously reported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01165490
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  • 4
    Electronic Resource
    Electronic Resource
    A new platinum-osmium alkyne complex from the reaction of Pt2Os4(CO)18 with PhC ≡ CPh: The synthesis, characterization, and crystal structure of Pt2Os4(CO)8 (μ3-PhC2Ph)3(μ4-PhC2Ph) (1994)
    Springer
    Journal of cluster science 5 (1994), S. 317-326 
    Details
    ISSN: 1572-8862
    Keywords: Mixed metal cluster ; alkyne ; diphenylacetylene ; platinum ; osmium ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The new platinum-osmium alkyne cluster complex Pt2Os4(CO)8(μ3-PhC2Ph)3 (μ 4-PhC2Ph),2, was obtained from the reaction of Pt2Os4(CO)18,1b, with PhC2Ph and was characterized by IR.1H NMR and single-crystal X-ray diffraction analyses. The cluster of compound2 consists of an osmium capped Pt2Os3 square pyramid. It aLso contains three triply bridging and one quadruply bridging diphenylacetylene ligands. Crystal data for2: space group PI,a = 12.530(2) Å,b = 21.565(4) Å,c = 11.284(2) Å,α = 100.31(2),β = 111.89(1),β = 76.78(2),Z = 2, 3879 reflections,R = 0.032.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01170715
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  • 5
    Electronic Resource
    Electronic Resource
    Synthesis, structure and IR characterization of disodium tetra(9,10-dihydro-9-oxo-10-acridineacetato)zincate(II) bis(ethanol) heptahydrate (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 731-737 
    Details
    ISSN: 1572-8854
    Keywords: Synthesis ; crystal structure ; IR data
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis, crystal structure and IR data are reported for Na2[Zn(CMA)4]·2EtOH·7H2O, where CMA− is the 9,10-dihydro-9-oxo-10-acridinacetate ion. The complex crystallizes in the monoclinic space group P2/n, with cell dimensionsa=17.335(9),b=8.440(5),c=21.875(12) Å, β=91.94(5)°,Z=2. The structure was solved by direct methods and refined to a finalR value of 0.0363 for 3022 non-zero reflections. The Zn2+ ion occupies twofold axis and is coordinated to four carboxylate ligands, the ZnO4 tetrahedron is considerably distorted with Zn−O distances of 1.978(3) and 1.961(3)Å. Each Na+ cation interacts with two water, one ethanol, and three carboxylate O atoms comprising distorted octahedron. The Zn2+ and Na+ cations are linked through monooxygen and syn-syn carboxylate bridges forming a trinuclear, mixed-metal cluster. The Zn...Na separation is 3.267(2)Å and Na...Na distance equals 3.520(2)Å. All oxygen bonded H-atoms are utilized in hydrogen bonds. The acridone rings overlap in the crystal with the 3.5 Å interlayer separations. The compound has been characterized by IR spectroscopy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666961
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  • 6
    Electronic Resource
    Electronic Resource
    Synthesis, characterization, and crystal structure of 1,3,7,9-tetramethylpyrido-[2,3-d∶6,5-d′]-dipyrimidine-2,4,6,8-tetrone (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 465-468 
    Details
    ISSN: 1572-8854
    Keywords: Pyrimidine ; uracil ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new and easy method for the preparation of 1,3,7,9-tetramethylpyrido-[2,3-d∶6,5-d′]-dipyrimidine-2,4,6,8-tetrone is described. The structure of this compound has been solved by means of X-ray diffraction methods. The chemical characterization by spectral (mass, ultraviolet, infrared, and proton nuclear magnetic resonance) and thermal (thermogravimetry and differential scanning calorimetry) method is also reported. The compound is monoclinic, space groupP21/c,a=12.720(5),b=13.688(7),c=8.079(2) Å, β=107.06(4)°,Z=4. The structure consists of discrete tricyclic molecules, stacking playing an important role in crystal packing.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666096
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  • 7
    Electronic Resource
    Electronic Resource
    Crystal structure oftrans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I),trans-Ir(CO)Cl-[P(cyclo-C6H11)3]2, a disordered species (1994)
    Springer
    Journal of chemical crystallography 24 (1994), S. 557-560 
    Details
    ISSN: 1572-8854
    Keywords: Centrosymmetric ; symmetry ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric triclinic space group $$P\bar 1$$ (C 1 l ; No.2) witha=9.9143(10) Å,b=10.2616(11) Å,c=10.7715(10) Å, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°,V=932.78(17) Å3 andZ=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined toR=1.42% andwR=1.94%. The molecule lies on a site of $$\bar 1$$ symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir−P=2.339(1) Å, Ir−Cl=2.398(4) Å and Ir−CO=1.808(15) Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666737
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  • 8
    Electronic Resource
    Electronic Resource
    The synthesis and structural analysis of the new high nuclearity platinum-ruthenium cluster complex Pt2Ru8(CO)18(μ3−EtC2Et)2(μ4−EtC2Et) containing three alkyne ligands (1994)
    Springer
    Journal of cluster science 5 (1994), S. 551-564 
    Details
    ISSN: 1572-8862
    Keywords: Mixed metal ; platinum ; ruthenium ; alkyne ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstarct The ten metal cluster complex Pt2Ru8(CO)23(µ3−H)2, 1 was found to react with EtC2Et to form a new ten metal tris-alkyne complex Pt2Ru8(CO)18(µ3−EtC2Et)2 (µ4−EtC2Et),2 in 35% yield. Complex 2 was characterized by IR,1H NMR , and single crystalx-ray diffraction analyses. The cluster can be viewed as a dodecahedron of eight metal atoms capped with two ruthenium carbonyl groups, two triply bridging EtC2Et ligands and one quadruply bridging EtC2Et ligand. Application of the standard electron counting procedures indicate that this is an unusual complex in which the 18 electron rule applies and the polyhedral skeletal electron pair theory does not. Crystal Data for 2 2.0.5 CH2CI2: space group = P21,a = 12.759(2) A,b=18.438(2)Å,c = 20.197(3) Å,β = 91.59(1)°, Z. = 4, 6394 reflections,R = 0.037.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01171385
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  • 9
    Electronic Resource
    Electronic Resource
    Studies of crystalline native celluloses using potential energy calculations (1994)
    Springer
    Cellulose 1 (1994), S. 161-168 
    Details
    ISSN: 1572-882X
    Keywords: cellulose I ; molecular mechanics ; crystal structure ; molecular ; modelling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract Energies for various trial packing arrangements of unit cells for the Iα and Iβ phases of native cellulose discovered by Sugiyamaet al. were evaluated. Both a rigid-ring method, PLMR, and the full-optimization, molecular mechanics program, MM3(90), were used. For both phases the models that had the lowest PLMR energy also had the lowest MM3 energy. Both calculated models have the chains packed ‘up’, O6s intg positions, and the same sheets of hydrogen-bonded chains. The Iβ structure model is essentially identical to that proposed previously for ramie cellulose by Woodcock and Sarko. It is also the same as the best parallel model previously proposed that was based on the X-ray data of Mann, Gonzalez and Wellard, once the various unit cell conventions are considered. Also, the energies from both methods for all three celluloses, Iα, Iβ and II, are in the order that rationalizes their relative stabilites.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00819665
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  • 10
    Electronic Resource
    Electronic Resource
    Superconductivity in the tetragonal phase of La1.9Bi0.1CuO4+δ annealed under high oxygen pressure (1994)
    Springer
    Journal of superconductivity 7 (1994), S. 37-38 
    Details
    ISSN: 1572-9605
    Keywords: High-Tc superconductivity ; La1.9Bi0.1CuO4+δ ; excess oxygen ; crystal structure ; superconducting transition temperature
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract We have investigated the relation between the crystal structure and superconductivity in La1.9Bi0.1CuO4+δ , in which the phase separation observed in La2CuO4+δ is suppressed. A phase diagram in theT−δ plane is given for La1.9Bi0.1CuO4+δ with excess oxygen. For very smallδ values, the crystal structure is orthorhombic, and an orthorhombic-tetragonal phase transition occurs markedly atδ ∼ 0.03 in the measured temperature range between 13 and 293 K. Superconductivity is observed in the range of 0.04〈δ〈0.11. This is clear evidence thathigh-T c superconductivity also appears in the tetragonal phase.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00730364
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  • 11
    Electronic Resource
    Electronic Resource
    Problems in the low-temperature synthesis of 92K Superconducting YBCO (1994)
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 1671-1678 
    Details
    ISSN: 0392-6737
    Keywords: Effects of material synthesis ; crystal structure ; chemical composition ; Y-based compounds ; Conference proceedings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Summary YBCO with high granulometric perfection and low dispersion can be obtained by a low-temperature reaction (≈800°C) of atomic-scale dispersed powders, produced through the thermal decomposition of liquid precursors. As reacted such powders are tetragonal and not superconducting, but they transform into the high-T c phase after optimized annealing treatments. We describe the method we developed and the characteristics of the materials we achieved, and we discuss the main features of the process in the light of the current know-how.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02462158
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  • 12
    Electronic Resource
    Electronic Resource
    Preparation and characterization of some metal(II) complexes of isocinchomeronic acid and X-ray crystal structure ofcis-diaquabis(hydrogen isocinchomeronato)manganese(II) (1994)
    Springer
    Structural chemistry 5 (1994), S. 165-170 
    Details
    ISSN: 1572-9001
    Keywords: Isocinchomeronic acid ; 2,5-pyridinedicarboxylic acid ; hydrogen isocinchomeronate ; manganese(II) complex ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The reactions between Mn(II), Co(II), Ni(II), and Zn(II) ions with isocinchomeronic acid (H2-isocin) afforded complexes of the general formula M(H-isocin)2-2H2O, whereas Fe(II) gives both red and deep red-brown products of the same formula. Various physical measurements suggest that the complexes of M = Co, Ni, Zn, and Fe (brown) are octahedrally coordinated by two aqua ligands and twotrans-N,O-bidentate H-isocin− anions with dimeric hydrogen bonding. Those for M = Mn and Fe (red) are the correspondingcis isomers. The structure of the manganese complex as determined by X-ray crystallography exhibitsC 2 molecular symmetry with Mn-N = 2.279(2), Mn-O(H-isocin)− = 2.196(2), and Mn-O(aqua) = 2.137(2) Å. Each aqua ligand forms two donor O-H ⋯ O hydrogen bonds with carboxy groups of different molecules in adjacent chains.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02262837
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  • 13
    Electronic Resource
    Electronic Resource
    Tris(pyrazol-1-yl)-s-triazine (TPT): X-ray crystallographic, computational, and gas-phase electron diffraction studies (1994)
    Springer
    Structural chemistry 5 (1994), S. 255-264 
    Details
    ISSN: 1572-9001
    Keywords: tris(pyrazol-1-yl)-s-triazine ; crystal structure ; electron diffraction ; AM1 semiempirical calculation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The conformation of the TPT molecule has been analyzed using experimental and computational techniques. The solid-state molecular structure shows similar conformational features to those in the 2-pyrimidine and phenyl derivatives although a different pattern of bond angles in the triazine ring was observed. The AM1 calculations predicted two conformations of comparable stability (ΔE=1.8 kcal/mol) differing in the orientation of one pyrazole ring. While the minimum energy conformation corresponds to a model displayingC 3h symmetry (φ 1=φ 2=φ 3=0°), the other minimum (φ 1=φ 2=0°,φ 3=180°) is close to that observed in the solid state. The electron diffraction results are consistent with a planar or nearly planar conformation in agreement with the preceding studies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02275498
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  • 14
    Electronic Resource
    Electronic Resource
    Structure of TiO2 in TiO2-SiO2 prepared by a complexing agent-assisted sol-gel procedure (1994)
    Springer
    Journal of sol gel science and technology 1 (1994), S. 113-121 
    Details
    ISSN: 1573-4846
    Keywords: crystal structure ; complexing agent ; TiO2 ; TiO2-SiO2
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Many types of TiO2-SiO2 (Ti:Si=50:50 mol%) were prepared by the sol-gel procedure with and without 2-methyl-2, 4-pentanediol (MPD) as an organic ligand. The effect of MPD on the gel structure and the properties of the TiO2 crystals were studied by XRD and raman spectroscopy, and the effect of the sol standing time on the properties of the TiO2 crystals were also studied by XRD spectroscopy. In the gels with MPD, anatase of TiO2 appeared at approximately 580°C, and the crystal structures were similar despite the difference in the gel preparation procedure. The titania gels with MPD were presumed to be dispersed in the silica gel matrix without any Ti-O-Si bond. In the presence of MPD, the formation of titania gels is controlled and the specified TiO2 crystal is produced.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00490241
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  • 15
    Electronic Resource
    Electronic Resource
    A complex of buckminsterfullerene with sulfur, C60·2S8: synthesis and crystal structure (1994)
    Springer
    Russian chemical bulletin 43 (1994), S. 240-244 
    Details
    ISSN: 1573-9171
    Keywords: C60·2S8 ; fullerene complexes ; synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The C60·2S8 complex was prepared by reaction of buckminsterfullerene C60 with sulfur in trichloroethylene and its single-crystal X-ray structure was studied at room temperature. Crystals of this compound are monoclinic, space groupC 2/c, a=20.90(1),b=21.10(1),c=10.537(9) Å, β=111.29(7)°,Z=4,d calc=1.89 g·cm−3. The crystal structure of the C60·2S8 complex consists of packed fullerene molecules that form hexagonal channels along thec axis with eight-membered crown-shaped S8 cyclic molecules inside the channels. The distances between the centers of neighboring fullerene molecules are 10.036(7), 10.636(7), and 10.537(9) Å. Each C60 molecule is linked to eight S8 molecules with ten shortened intermolecular contacts C...S 3.41(1)–3.52(2) Å. The average values of the C=C and C-C bond lengths are 1.32(3) and 1.47(3) Å, which attest to a significant degree of localization of electron density in the c60 molecule.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00695818
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  • 16
    Electronic Resource
    Electronic Resource
    Effects of Configuration Around the Chiral Carbon Atoms on the Crystal Properties of Ephedrinium and Pseudoephedrinium Salicylates (1994)
    Springer
    Pharmaceutical research 11 (1994), S. 1549-1556 
    Details
    ISSN: 1573-904X
    Keywords: ephedrine ; pseudoephedrine ; salicylate ; chirality ; salt formation ; homochiral crystal ; racemic compound ; racemic conglomerate ; crystal structure ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The physicochemical properties and crystal structures of the crystalline salts formed by the interaction of an achiral anion, salicylate, with homochiral and racemic ephedrinium and pseudoephedrinium cations were determined. The interaction of ephedrinium or pseudoephedrinium with salicylate in aqueous solution yielded crystalline salts with the notable exception of homochiral ephedrinium. Evaporation of the solvent from solutions of homochiral ephedrine and salicyclic acid in various organic solvents, as well as grinding together solid homochiral ephedrine and solid salicylic acid, yielded viscous semisolids suggesting that homochiral ephedrinium salicylate has a low melting point and/or a high aqueous solubility. Mixing of the two viscous solids, obtained by grinding each of the opposite enantiomers of ephedrine with equimolar salicylic acid, resulted in the formation of racemic ephedrine and subsequently, upon heating, in the formation of racemic ephedrinium salicylate. While racemic ephedrinium salicylate exists as a crystalline compound (P21/n space group) with an equal number of opposite enantiomers in the unit cell, its diastereomer, racemic pseudoephedrinium salicylate, exists as a conglomerate, i.e. a physical mixture, of the homochiral crystals of the opposite enantiomers (each P21 space group). The inability of homochiral ephedrinium to exist as a crystalline salicylate salt at 20–25°C is attributed to its high energy conformation and/or to the poor packing of homochiral ephedrinium salicylate molecules in the crystal lattice.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1018945401484
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  • 17
    Electronic Resource
    Electronic Resource
    Dicyclohexylamides as ionophores for li-selective electrodes. Crystal structures of a triamide ligand and its complex with lithium ion (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 53-71 
    Details
    ISSN: 1573-1111
    Keywords: Lithium ionophores ; podand ; dicyclohexylamides ; Li-complex ; crystal structure ; X-ray analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The influence of structure and lipophilicity of dicyclohexylamides on the lithium selectivity in membrane electrodes is discussed. The crystal structures of the triamide podand1 and its complex with LiBr1b has been determined by X-ray analysis. Crystal data for ligand1: C48H83O6N3, triclinic,P1,a=10.749(2),b=12.097(3),c=19.123(6)Å, α=95.76(2),β=80.06(2), γ=100.27(2)0,V=2403(1) Ã3,Z=2. Crystal data for the lithium complex1b: C48H83O6N3·LiBr·x C2H5OH, monoclinic,P2 1/c,a=21.297(6),b=16.316(8),c=19.450(4) Å,β=110.87(2)0,V=6315(3) Å3,Z=4. In the complex the ligand adopts a conformation in which oxygen binding sites surrounding the Li+ cation form a slightly distorted trigonal prism.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707612
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  • 18
    Electronic Resource
    Electronic Resource
    Cold adaption of enzymes: Structural comparison between salmon and bovine trypsins (1994)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 20 (1994), S. 149-166 
    Details
    ISSN: 0887-3585
    Keywords: crystal structure ; cold adaption ; catalytic efficiency ; protein stability ; anionic ; ectotherm ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: The crystal structure of an anionic form of salmon trypsin has been determined at 1.82 Å resolution. We report the first structure of a trypsin from a phoikilothermic organism in a detailed comparison to mammalian trypsins in order to look for structural rationalizations for the cold-adaption features of salmon trypsin. This form of salmon trypsin (T II) comprises 222 residues, and is homologous to bovine trypsin (BT) in about 65% of the primary structure. The tertiary structures are similar, with an overall displacement in main chain atomic positions between salmon trypsin and various crystal structures of bovine trypsin of about 0.8 Å. Intramolecular hydrogen bonds and hydrophobic interactions are compared and discussed in order to estimate possible differences in molecular flexibility which might explain the higher catalytic efficiency and lower thermostability of salmon trypsin compared to bovine trypsin. No overall differences in intramolecular interactions are detected between the two structures, but there are differences in certain regions of the structures which may explain some of the observed differences in physical properties. The distribution of charged residues is different in the two trypsins, and the impact this might have on substrate affinity has been discussed. © 1994 Wiley-Liss, Inc.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prot.340200205
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  • 19
    Electronic Resource
    Electronic Resource
    Structure of trichosanthin at 1.88 Å resolution (1994)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 19 (1994), S. 4-13 
    Details
    ISSN: 0887-3585
    Keywords: trichosanthin ; ribosome-inactivating proteins ; crystal structure ; orthorhombic ; molecular replacement ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Trichosanthin (TCS) is one of the single chain ribosome-inactivating proteins (RIPs). The crystals of the orthorhombic form of trichosanthin have been obtained from a citrate buffer (pH 5.4) with KC1 as the precipitant. The crystal belongs to the space group P212121 with a = 38.31, b = 76.22, c = 79.21 Å. The structure was solved by molecular replacement method and refined using the programs XPLOR and PROLSQ to an R-factor of 0.191 for the reflections within the 6-1.88 Å resolution range. The bond length and bond angle in the protein molecule have root-mean-square deviations from ideal value of 0.013 Å and 3.3°, respectively. The refined model includes 247 residues and 197 water molecules. The TCS molecule consists of two structural domains. The large domain contains six α-helices, a six stranded sheet, and an antiparallel β-sheet. The small domain has a largest α-helix, which shows a distinct bend. The possible active site of the molecule located on the cleft between two domains was proposed. In the active site Arg-163 and Glu-160, Glu-189 and Arg-122 form two ion pairs, Glu-189 and Gln-156 are hydrogen bonded to each other. Three water molecules are bonded to the residues in the active site region. The structures of TCS molecule and ricin A-chain (RTA) superimpose quite well, showing that the structures of the two protein molecules are homologous. Comparison of the structures of the TCS molecule in this orthorhombic crystal with that in the monoclinic crystal indicates that there are no essential differences of the structures between the two protein crystals. © 1994 Wiley-Liss, Inc.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prot.340190103
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  • 20
    Electronic Resource
    Electronic Resource
    Phase and X-ray study of clathrate formation in the tetraisoamylammonium fluoride-water system (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 137-148 
    Details
    ISSN: 1573-1111
    Keywords: Clathrate hydrate ; phase diagram ; crystal structure ; tetraisoamylammonium fluoride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The phase diagram of the binary (i-C5H11)4NF-water system has been studied in the clathrate formation region. Three polyhydrates have been discovered, two of which (1∶38.9 and 1∶32.7) are the known orthorhombic and tetragonal phases:Pbmn,a=11.88,b=21.53,c=12.70 Å,ρ means=1.019 g cm-3 (0°C), m.p.=32.4°C andP42/m, a=23.729,c=12.466 Å,ρ means=1.062 g cm-3, (0°C), m.p.=31.2°C, respectively. A single crystal X-ray analysis of the novel clathrate hydrate (i-C5H11)4NF·27 H2O is reported. This new clathrate hydrate is tetragonal,I4I/a, witha=16.894(5),c=17.111(2) Å,Z=4, (−50°C), and m.p.=34.6°C. Each (i-C5H11)4N+ cation occupies a four-chamber cavity built of 15-hedra 71635942 (idealized description), with small vacant 5444 cavities filling the intervening space.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00711854
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  • 21
    Electronic Resource
    Electronic Resource
    X-ray structure and thermal analysis of a 1∶1 complex between sulfathiazole andβ-cyclodextrin (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 187-201 
    Details
    ISSN: 1573-1111
    Keywords: β-Cyclodextrin ; sulfathiazole ; inclusion complex ; crystal structure ; thermal analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An inclusion complex with the formula (β-cyclodextrin) (sulfathiazole) 8.3 H2O has been crystallized and characterized by physicochemical methods including single crystal X-ray analysis. The complex crystallizes in the monoclinic system, space group P21, witha=15.264(4),b= 16.500(6),c=15.559(5) Å,β=117.29(3)o andZ=2. The structure was solved using published co-ordinates forβ-cyclodextrin in an isomorphous complex. Refinement by block-diagonal leastsquares yieldedR=0.061 for 4706 unique observed reflections. Inclusion of sulfathiazole produces a slight ellipticity in the host conformation, but the guest adopts a conformation similar to that observed in its polymorphs. The guest is held in the macrocyclic cavity predominantly by hydrophobic forces, with the phenyl ring near the host primary hydroxyl side and the thiazole ring near the secondary hydroxyl side. The complex packs in layers parallel to theac-plane. Layers are linked by hydrogen bonding to water molecules which are located outside the cyclodextrin cavity. An extensive network of hydrogen bonds mediated chiefly by water molecules stabilizes the crystal structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00711858
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  • 22
    Electronic Resource
    Electronic Resource
    Inclusion complexes of the natural product gossypol. Recognition by gossypol of halogeno methanes. Structure of the dichloromethane complex of gossypol and single crystal conservation after decomposition (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 317-324 
    Details
    ISSN: 1573-1111
    Keywords: Gossypol ; complex ; crystal structure ; single crystal ; desolvation ; polymorph
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structures of gossypol complexes are extremely sensitive to the halogenomethane present as the guest; e.g. changing the number of Cl atoms in chloromethane derivatives changes the structure of the gossypol complex. The crystals of C30H30O8·CH2Cl2 are monoclinic, space groupC2/c,a=21.320(4),b=19.199(6),c=15.765(2)Å, β=113.05(2)o,V=5916(2)Å3,Z=8,D x=1.35 g/cm3,T=295 K. The structure has been solved by direct methods and refined to the finalR value of 0.084 for 1828 reflections. In the structure H-bonded gossypol molecules form columns, generating channels in the structure which are filled by guest molecules. After decomposition (desolvation) monocrystals of the complexes are conserved without destruction, in which there are rather wide and empty channels though slightly smaller than in the complex. An attempt is made to explain some peculiarities of the behavior of the gossypol polymorph formed on the basis of its structure with empty channels.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707127
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  • 23
    Electronic Resource
    Electronic Resource
    Crystal structure of the product of a condensation reaction of (±)-gossypol with (R)-(+)-1-phenylethylamine. Why do diastereoisomeric diaminogossypols cocrystallize? (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 365-376 
    Details
    ISSN: 1573-1111
    Keywords: Gossypol ; inclusion compounds ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of a compound obtained in a condensation reaction of (±)-gossypol with (R)-(+)-phenylethylamine has been determined by X-ray structure analysis. The crystals of C46H48O6N2·(C4H8O2)2 are monoclinic, space groupP21,a=21.243(3),b=8.666(1),c=28.651(4) Å, β=108.24(1)0,V=5009(3) β3,Z=4,D x=1.195 g cm−3, μ(CuK α)=0.66 mm−1,T=292 K. The structure has been solved by direct methods and refined to the finalR value of 0.091 for 4290 observed reflections and 1049 parameters. There are two diastereoisomeric molecules of the host and four solvent molecules in the asymmetric unit. The host molecules are H-bonded into chains with diastereoisomeric molecules alternating along the chain. The fact that the host prefers the association mode in which molecules with a different configuration of the 2,2′-binaphthyl moiety are H-bonded explains why separation of diastereoisomeric diaminogossypols by fractional crystallization has been unsuccessful. The 1,4-dioxane molecules are accommodated in infinite channels but only every second guest molecule in a channel is H-bonded to the host.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707132
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  • 24
    Electronic Resource
    Electronic Resource
    A structural two-ring version of a tubular stack ofβ-rings in crystals of a cyclic D,L-hexapeptide (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 18 (1994), S. 27-36 
    Details
    ISSN: 1573-1111
    Keywords: D,L-hexapeptide ; cyclic ; crystal structure ; stacks ; tubular ; β-rings ; channels
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An X-ray analysis of single crystals (from MeOH) of cyclo(-D-Leu-L-MeLeu-D-Leu-L-MeLeu-D-Leu-L-MeLeu-) has been carried out. The analysis reveals that the molecules of the cyclopeptide occur in the crystals with two slightly different, almost hexagonal backbone conformations of the β-type, and that pairs of molecules with the same conformation interact through their nonmethylated face, forming dimeric units (units A and B) with six interannular H-bonds. This kind of pairing reproduces well that expected for a two-ring element in a stack of antiparalleβ-rings. The X-ray analysis has also revealed the presence in the A units of two water molecules, each at one of two equivalent sites located on the 3-fold axis of the units and equidistant from the center of gravity, and the presence in the B units of one water molecule at the center of the units. This provides experimental support for the idea that stacks ofβ-rings can serve as molecular channels.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00706936
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  • 25
    Electronic Resource
    Electronic Resource
    N(nPr)4[B5O6(OH)4][B(OH)3]2 and N(nBu)4[B5O6(OH)4][B(OH)3]2: Clathrates with a diamondoid arrangement of hydrogen-bonded pentaborate anions (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 18 (1994), S. 161-175 
    Details
    ISSN: 1573-1111
    Keywords: Pentaborate ; boric acid ; clathrate ; diamond-related network ; hydrogen bonding ; tetrapropy-lammonium ; tetrabutylammonium ; crystal structure ; 11B MAS NMR ; 13C MAS NMR ; thermogravimetry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Single-crystal X-ray structure analyses of N(nPr)4[B5O6(OH)4][B(OH)3]2,1, and N(nBu)4 [B5O6(OH)4][B(OH)3]2,2, reveal that these materials are novel clathrates, the isotypic host structures of which are three-dimensional assemblies of hydrogen-bonded [B5O6(OH)4]− ionsand B(OH)3 molecules. The assembly of only the pentaborate anions is a distorted (i.e., along [102] elongated) fourconnected diamond-related network. The N(nPr) 4 + and N(nBu) 4 + ions are trapped within the complex three-dimensional channel systems of the host frameworks. Both1 and2 crystallize monoclinically with space groupP21/c andZ=4. The cell constants are:1:a=13.592(5),b=12.082(2),c=17.355(6) Å, β=106.60(2)° (298K);2:a=13.874(3),b=12.585(1),c=17.588(4) Å, β=107.04(1)° (238 K). The results obtained by both11B and13C MAS NMR spectroscopy are discussed. Thermogravimetric studies under a flowing inert-gas atmosphere suggest that water, stemming from polycondensation of the hydrous borate species, is released from the clathrates at ca. 443 K (1) and 398 K (2) before the decomposition of the organic cations starts at ca. 603 K (1) and 603 K (2).
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    URL: http://dx.doi.org/10.1007/BF00705819
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  • 26
    Electronic Resource
    Electronic Resource
    X-ray crystallographic studies of tricarbonylchromium complexes of calix[4]arene conformers: On an unusual conformation which appears in cone conformers (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 19 (1994), S. 227-236 
    Details
    ISSN: 1573-1111
    Keywords: Calixarenes ; arenetricarbonylchromium ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]arene(1) and Cr(CO)6 were determined by single crystal X-ray studies. Crystal data for 1,3-alternate-1·Cr(CO)3 are space groupP21/a,a=19.496(3)Å,b=11.118(2)Å,c=19.121(2)Å, β=109.95°(1) andV=3895Å3. The structure was refined toRw=0.068. Crystal data for cone-1·Cr(CO)3 are space groupP21/a,a=21.457(4)Å,b=12.184(1)Å,c=14.816(2)Å, β=91.61°(1) andV=3872Å3. The structure was refined toRw=0.077. Crystal data for cone-1·2Cr(CO)3 are space groupP21/a,a=18.019(3)Å,b=41.347(4)Å,c=11.743(2)Å, β=97.39°(1) andV=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined toRw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]arene. In contrast, cone-1·Cr(CO)3 and cone-1·2Cr(CO)3 show an unusual conformation with a pair of faced gablelike roofs, which is considerbly distorted from the regular cone calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00708984
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  • 27
    Electronic Resource
    Electronic Resource
    12-Membered crown ethers. Lipophilic derivatives of benzo- and naphtho-12-crown-4 and their membrane electrode properties. Crystal structures of benzo-12-crown-4 NaI and KI complexes (1994)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 335-351 
    Details
    ISSN: 1573-1111
    Keywords: 12-Membered crown ethers ; ion-selective membrane electrodes ; complexes ; crystal structure ; X-ray analysis ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Lipophilic derivatives of benzo-12-crown-4 and naphtho-12-crown-4 have been synthesized. The behavior of the parent compounds and their derivatives in membrane ion-selective electrodes have been studied. Selectivity changes have been observed with the rise in lipophilicity. Crystal structures of the NaI and KI complexes of benzo-12-crown-4 (1 and2) have been determined by X-ray analysis. The alkali metal and iodide ions are in direct contact in2 but not in1. Compound1 [Na(benzo-12-crown-4)2]·I is triclinic, witha=13.368(8),b=10.727(7),c=10.325(4) Å; α=73.56(4),β=77.73(4), γ=108.70(5)°;Z=2, space group is $$P\bar 1$$ . Compound2 [K(benzo-12-crown-4)2·I] is monoclinic, witha=15.807(8),b=12.043(4),c=15.601(6) Å,β=117.74(3)°;Z=4, space groupC2/c. In both compounds the cations interact with all oxygen atoms of two crown ether molecules. Correlation of the crystal structures and behavior of the crown ethers in ion-selective membrane electrodes is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00708878
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  • 28
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100101
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  • 29
    Electronic Resource
    Electronic Resource
    Iterative computation of second-order derivatives of eigenvalues and eigenvectors (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1-9 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An iterative method is introduced for computing second-order partial derivatives (sensitivities) of eigenvalues and eigenvectors of matrices which depend on a number of real design parameters. Numerical tests confirm the viability of the method and support our theoretical analysis. Alternative methods are reviewed briefly and compared with the one proposed here.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100102
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  • 30
    Electronic Resource
    Electronic Resource
    Semi-Loof element for plate instability (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 11-19 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the formulation of the semi-Loof element the rotation of the tangent plane is derived from the interpolation of the transverse displacement, while the rotation of the normal is interpolated separately by another set of shape functions. The geometric stiffness matrix can be formulated by use of either of the two rotation representations. It is demonstrated that the use of the tangent plane representation in the geometric stiffness matrix is far superior to the common form at present.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100103
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  • 31
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    Least-squares T-elments: Equivalent FE and BE forms of a substructure-oriented boundary solution approach (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 21-32 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An efficient solution to boundary-value problems may be based on the application of a suitably truncated T-complete set of Trefftz functions over individual subdomains and on linking the fields by a least-squares procedure. Although it yields a symmetric system of linear equations, this approach as originally presented by Zielinski and Zienkiewicz is not suited for implementation into FE codes. The present paper presents two equivalent formulations, which take respectively the form of the finite (FE) and non-conventional boundary-element (BE) approach. Both allow the resulting simultaneous equations to be assembled following the standard direct stiffness methods and can readily be implemented into existing FE codes.As in the conventional p-method, the accuracy may be controlled within large limits without increasing the number of elements. The present approach allows substantial saving in computer time in comparison with the so-called hybrid-Trefftz (HT) elements, though the assumed displacement fields are identical. The practical efficiency of the new T-element approach is assessed on the problem of stress concentration in a symmetrically compressed perforated panel.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100104
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  • 32
    Electronic Resource
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    High-order polynomial interpolation in boundary integral equation analysis (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 167-178 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A sixth-order polynomial shape function is developed for BIE analysis. The function is applied over only three-noded elements, but with the support for the function extending over adjacent elements. This avoids the oscillations near the ends of the range which otherwise are characteristic of high-order polynomial interpolation. Various test problems are explored, and it is shown that results as accurate as those from conventional quadratic elements are obtained with larger nodal spacings, and thus giving the potential for significant reductions in matrix storage requirements and solution times.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100208
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  • 33
    Electronic Resource
    Electronic Resource
    Accurate finite element method for steady and quasisteady lifting aerofoil (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 155-166 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element formulation based on superposition is proposed for a lifting aerofoil in incompressible potential flow. An accuracy improvement technique for the singularity at the aerofoil trailing edge is discussed. It is shown that the quarter-node quadrilateral element can be readily employed to simulate this singularity. It is also demonstrated that the circulation in the flow field can be easily represented by a single constraint equation rather than introducing an artificial cut line in the mesh. The influence of finite-element mesh size on solution accuracy and the correct form of the boundary condition have been investigated as well. Numerical examples are given for both steady and quasisteady Joukowski aerofoils of various thicknesses and at a range of incidences. In all test cases, good agreement is observed between the analytical solution and the numerical result.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100207
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  • 34
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100301
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  • 35
    Electronic Resource
    Electronic Resource
    A 3D element for non-linear analysis of solids (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 183-194 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An 8-node element (HMITC) for 3D non-linear analysis of solids is presented. The new element is based on an element developed by Wilson and Ibrahimbegovic, that incorporates incompatible modes, and on the method of mixed interpolation of tonsorial components. The HMITC element does not contain spurious zero energy modes and satisfies Irons' Patch Test. The numerical experimentation indicates that the HMITC has good performance even with distorted meshes.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100302
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  • 36
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    Space-time oriented streamline diffusion methods for non-linear conservation laws in one dimension (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 203-215 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper we consider an explicit finite-element method, with elements adaptively oriented in space-time, for the solution of one-dimensional conservation laws, extending previous work dealing with linear convection-diffusion and incompressible flow. In particular we consider Burgers' equation and the compressible Euler equations.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100304
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    Neural-network-based approximations for solving partial differential equations (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 195-201 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method, based on neural-network-based functions, for solving partial differential equations is reported in the paper. Using a ‘universal approximator’ based on a neural network and point collocation, the numerical problem of solving the partial differential equation is transformed to an unconstrained minimization problem. The method is extremely easy to implement and is suitable for obtaining an approximate solution in a short period of time. The technique is illustrated with the aid of two numerical examples.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100303
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    Cyclic symmetry in boundary elements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 217-225 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An efficient algorithm for consideration of axial and cyclic symmetry in the boundary-element method is presented. The appropriate transformation relationships was derived. The algorithm is then implemented in a boundary element program for the analysis of 2D elastostatic problems. Through analysis of typical problems the validity of the algorithm and its implementation is verified. A high level of accuracy and substantial reduction in computer time and storage was achieved.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100305
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    Explicit variable time-step method for implicit moving boundary problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 227-235 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The diffusion of oxygen into an absorbing medium as an example of an implicit moving boundary problem has been dealt with by a number of authors using various numerical techniques, and, where appropriate, approximate analytical expressions. To evaluate the time for complete absorption, extrapolation is usually employed. An unconditionally stable explicit numerical scheme that avoids the limitations of such methods is presented and tested herein. Unlike existing schemes this method is fully numerical; it avoids the large array size, generally required for existing methods, by using a variable-length time step. The time for complete absorption emerges from the final step in the normal computing procedure with no recourse to extrapolation. Furthermore, owing to the implicit condition prevailing at the moving boundary, no iterations are needed to evaluate the time step required for the moving boundary to move a single space increment. The numerical results obtained compare very favourably with those due to earlier authors.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100306
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  • 40
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    Boundary-element solution of some structural-acoustic coupling problems using the multiple reciprocity method (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 237-248 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper we have developed a new formulation for solution of structural-acoustic coupling problems by boundary elements using the multiple reciprocity method. It is assumed that the structure is composed of plate components and is excited by the external or the internal noise source. The efficiency of the proposed formulation becomes especially remarkable if the boundary-value problem is to be solved repeatedly for different values of frequency. The accuracy of the numerical computations has been compared with the analytical solution in a test example.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100307
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  • 41
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    Homogenization and effective elastoplasticity models for periodic composites (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 257-265 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Techniques for stress- and strain-controlled in situ homogenization of inelastic periodic composites are presented. The results of homogenization computations on a specific elastoplastic composite solid are then employed to validate the form of an orthotropic elastoplasticity model with a tensorial kinematic hardening law.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100309
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  • 42
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    Lagrange multiplier approach for evaluation of friction in explicit finite-element analysis (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 249-255 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An algorithm for evaluation of friction in general contact-impact interfaces is described. The algorithm is based on an explicit finite-element method. Coulomb's friction law is assumed. The defence node algorithm is used such that the sticking condition can be imposed with the Lagrange multiplier method even in explicit dynamic analysis. The algorithm is supposed to be applicable in general situations, including large deformations of the contact-impact bodies and large relative sliding between the contact-impact boundaries. Numerical results are presented to demonstrate the performance of the algorithm.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100308
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  • 43
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    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 275-277 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100311
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    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100401
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  • 45
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    General forming of transition elements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 267-273 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A generalization of the r(1-m)/m strain singularity of higher-order isoparametric elements is presented. It is shown that, by variable placement of the side nodes between their original and singular positions, the point of singularity sensed by the element can be controlled. The transition elements have a strain singularity outside their domain. The singular and non-singular elements are elements are special cases of the general mapping. The transition elements, together with the singular isoparametric elements, can be used for solving crack problems.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100310
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  • 46
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    Some geometric problems related to fracture-control in complex structures (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 279-290 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the design of members with flaws, it is necessary to keep the stress intensity factor K of any sharp crack below the fracture toughness Kcr of the materials. Stress-intensity factor equations for the more common basic specimen geometries and various loading conditions are available in the literature. The application of these equations to complex structures involves geometric problems such as the identification of the outline of each member and the sizing of the equivalent specimen for each flaw. The paper gives a response to such difficulties.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100402
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  • 47
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    Modified simplex optimization program (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 303-312 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A simple, yet storage-effective ‘linear’ programming code is given. The assumption of non-negative variables is bypassed without increasing the size of the problem. Furthermore, the objective is allowed to be summed over not just linear, but also concave, functions. A specific truss topology optimization example is shown.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100405
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  • 48
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    Fourth-order difference method for quasilinear Poisson equation in cylindrical symmetry (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 291-296 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We propose in this paper a nine-point, fourth-order difference method for the numerical solution of the quasilinear Poisson equation \documentclass{article}\pagestyle{empty}\begin{document}$$ Au_{zz} + \frac{1}{r}u_r + Bu_{rr} = f\left({r,z,u,u_r,u_z} \right) $$\end{document} with appropriate boundary conditions. The method is based on five evaluations of f. The numerical results of four problems obtained using this method are listed. The results demonstrate the fourth-order accuracy of the method.
    Additional Material: 4 Tab.
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    URL: http://dx.doi.org/10.1002/cnm.1640100403
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  • 49
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    Use of central-difference operators for solution of singularly perturbed problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 297-302 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Singularly perturbed second-order elliptic equations with boundary layers are considered. These may be considered as model problems for the advection of some quantity such as heat or a pollutant in a flow field or as linear approximations to the Navier-Stokes equations for fluid flow. Numerical methods composed of central-difference operators on special piece-wise-uniform meshes are constructed for the above problems. Numerical results are obtained which show that these methods give approximate solutions with error estimates that are independent of the singular perturbation parameter. An open theoretical problem is posed.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cnm.1640100404
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  • 50
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    Superconvergent patch recovery of finite-element solution and a posteriori L2 norm error estimate (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 313-320 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper we present a superconvergent patch recovery technique for obtaining higher-order-accurate finite-element solutions and thus a postprocessed type of L2 norm error estimate. Two modifications make our procedure different from the one proposed by Zienkiewicz and Zhu (1992), in which higher-order-accurate derivatives of the finite-element solution at nodes are determined. Firstly, the recovery process is made for element, not for nodes. An ‘element patch’, which represents the union of an element under consideration and the surrounding elements, is introduced. Secondly, the local error estimate is calculated directly from the improved solution for this element. Numerical tests on both 1D and 2D model problems show that this method can provide an asymptotically exact a posteriori L2 norm error estimate if the used element possesses superconvergent points for the solutions.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100406
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    Universal matrices with new infinite elements for quasiharmonic equation (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 321-331 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new approach to developing serendipity quadrilateral infinite elements is presented. Using these elements universal matrices for quasiharmonic equation are developed. For a particular member of the family these matrices are independent of the size and shape of the element. Using these matrices the element stiffness matrix can be generated in a simpler manner by taking into account the size and shape of the element.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100407
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    Accelerated modified Newton-Raphson iteration-based finite-element solution of structural problems involving non-linear deformation behaviour (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 333-338 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new global secant relaxation (GSR)-method-based improvement procedure is used to improve the overall convergency performance of the modified Newton-Raphson iteration in carrying out the solution of discrete systems resulting from the finite-element discretization of a certain class of structural problems involving non-linear deformation behaviour.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100408
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    A simulation of free-surface electrohydrodynamic flow (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 339-353 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Theoretical and experimental analysis of free-surface electrohydrodynamic flow is fragmented and incomplete. Simulation studies of this phenomenon are further limited by the inherent complexities in the modelling process. In this note a mathematical model is developed to analyse free-surface electrohydrodynamic flow in two dimensions, and preliminary results of the simulation are described. The configurations examined include electrified conducting surfaces, the dielectrophoretic forces, and a conducting jet. The simulation is compared with analytical results in the first two investigations and is shown to be quite accurate. In the last simulation it is demonstrated that in the initial formation of a conducting jet, a 10 per cent increase in applied voltage results in about a 10 per cent increase in fluid velocity.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100409
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    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 355-357 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100410
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    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 359-360 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100411
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    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100501
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    Improvement on dual reciprocity boundary element method for equations with convective terms (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 361-371 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The dual reciprocity boundary element method, first proposed by Nardini and Brebbia (1982, 1985), is a powerful technique for solving elliptic partial differential equations. Adopting this approach, a singular volume integral, which needs to be evaluated with a traditional boundary element method, can be converted into a boundary integral. However, when the governing equation is of a certain type, this conversion fails due to the singularities being introduced inside the physical domain and on the boundary arising by differentiating distance functions. We avoid these artificially created singularities by constructing a transformation which leads to improved numerical results.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100502
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    A direct solver for the least-squares problem arising from GMRES(k) (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 743-749 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This is a study about one of the core questions in the GMRES(k) method regarding the obtaining of vector yk for the least-squares problem, argminy |Hky - β(n)e1|2 (see Saad and Schultz1). We propose a simple but efficient approach to the resolution of this problem and a low cost computation of the residual and the residual norm, including both in a complete and detailed FGMRES(k) algorithm. The whole algorithm of minimization only involves two backward substitutions with triangular matrices and a dot product. The residual and the residual norm are computed, making use of results in the least-squares problem.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100909
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    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 759-760 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100911
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    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 761-762 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100912
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    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101001
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  • 62
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    Synthesis and crystal structure of an organic semiconductor (ET)4[Hg2I6] (1994)
    Springer
    Russian chemical bulletin 43 (1994), S. 1175-1179 
    Details
    ISSN: 1573-9171
    Keywords: organic conductors ; ion-radical salts ; bis(ethylenedithio)tetrathiafulvalene ; mercury iodides ; crystal structure ; electrochemical synthesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A new cation-radical salt (ET)4[Hg2I6] (1), where ET is bis(ethylenedithio)tetrathiafulvalene, has been synthesized in the system ET-HgI3 −-PhCl. An X-ray study of 1 (a=41.02(5),b=23.01(1),c=8.233(2) Å,V=7772(3) Å3, space groupPc21 b,Z=4,d calc=2.308 g cm−3) has established its composition, chemical formula, and the main structural features. The ET cation-radicals are packed in the conducting layer, the type of packing is α″; the [Hg2I6]2− anion has a dimeric structure. The temperature dependence of the conductivity of the (ET)4[Hg2I6] crystals (σ300=6 Ohm−1 cm−1) has a semiconducting character.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00698238
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    Synthesis and crystal structure of cyclotris-(4,4′-thiodiphenylene ketone) (1994)
    Springer
    Russian chemical bulletin 43 (1994), S. 1384-1389 
    Details
    ISSN: 1573-9171
    Keywords: synthesis ; macrocyclic thiophenylene ketone ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The side reaction of macrocyclization that occurs during the synthesis of poly-(1,4-phenylenesulfide ketone) by polycondensation of a 4,4-dihalobenzophenone with sodium sulfide was studied. It was found that the major product of this reaction is a cyclic trimer, cyclotris-(4,4"-thiodiphenylene ketone) (1). Despite the fact that ketone bridges are more rigid than sulfide bridges, the yield of the macrocycle is rather high, as it is in the synthesis of poly-(1,4-phenylenesulfide), and reaches 20% under high dilution conditions. The structure of 1 was investigated by X-ray diffraction analysis (R = 0.069 on 3138 reflections). Macrocycle 1 is strongly flattened in the crystal; the conformation observed is determined by the packing, since stereochemical analysis indicates high flexibility of the macrocycle. The solvate acetone molecules incorporated in the crystal are disordered, nevertheless, they are strongly fixed in the cavities and channels of the crystal structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00703700
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    An algorithm for the optimization of directionally stretched triangulations (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1481-1497 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A procedure for the optimization of stretched triangular grids is described. The method is based on the construction and minimization of a function that represents a generalized version for stretched grids of a non-linear spring system. The function is minimized using a gradient method based on the steepest descent. Examples are provided to show the applicability of the method to computational fluid dynamics problems.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620370905
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    Optimum application of the multigrid method in generating body-fitted co-ordinates (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1465-1480 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Multigrid method is used to accelerate the convergence of the numerical solution of the set of partial differential equations for generating the Body-Fitted Co-ordinate system (BFC) for both simply and doubly connected domain problems. The multigrid method is based on the full approximation scheme with bilinear interpolation as prolongation operator. The other components of the multigrid method such as the relaxation method, restriction operator, number of relaxation sweeps per cycle and direction of relaxation sweeps are varied with a view to obtaining the general principle in implementing an efficient multigrid algorithm for the generation of the BFCs.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620370904
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    Node and element resequencing using the Laplacian of a finite element graph: Part II - Implementation and numerical results (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1531-1555 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In Part I of this work, Paulino et al.1 have presented an algorithm for profile and wavefront reduction of large sparse matrices of symmetric configuration. This algorithm is based on spectral properties of a Finite Element Graph (FEG), An FEG has been defined as a nodal graph G, a dual graph G* or a communication graph G· associated with a generic finite element mesh. The novel algorithm has been called Spectral FEG Resequencing (SFR). This algorithm has specific features that distinguish it from previous algorithms. These features include (1) use of global information in the graph, (2) no need of a pseudoperipheral vertex or the endpoints of a pseudodiameter, and (3) no need of any type of level structure of the FEG. To validate this algorithm in a numerical sense, extensive computational testing on a variety of problems is presented here. This includes algorithmic performance evaluation using a library of benchmark test problems which contains both connected and non-connected graphs, study of the algebraic connectivity (λ2) of an FEG, eigensolver convergence verification, running time performance evaluation and assessment of the algorithm on a set of practical finite element examples. It is shown that the SFR algorithm is effective in reordering nodes and/or elements of generic finite element meshes. Moreover, it computes orderings which compare favourably with the ones obtained by some previous algorithms that have been published in the technical literature.
    Additional Material: 13 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370908
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    The benefits of parallel multibody simulation (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1557-1572 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: To exploit the benefits of parallel computer architectures for multibody system simulation, an interdisciplinary approach has been pursued, combining knowledge of the three disciplines of dynamics, numerical mathematics and computer science. An analysis of the options available for the formulation and numerical solution of the dynamical system equations yielded a surprising result. A method initially proposed to solve the inverse problem of dynamics is the best choice to generate the system equations required for solving the simulation problem, when relying on implicit integration routines. Such routines have the particular advantage of handling stiff systems, too. The new O(N)-residual formalism, generating the system equations in a form required for implicit numerical integration, has a high potential to benefit from parallel computer architectures. Two strategies of medium and coarse grain parallelization have been implemented on a Transputer network to obtain a package for parallel multibody simulation. An analysis of the performance of this package demonstrates for typical multibody simulation problems that the new code is five times faster than existing codes when implemented on a serial computer. An additional speed-up by the same order of magnitude is obtained when the code is implemented on a Transputer network.
    Additional Material: 14 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370909
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    A finite volume format for structural mechanics (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 181-201 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A general Finite Volume Method (FVM) for the analysis of structural problems is presented. It is shown that the FVM can be considered to be a particular case of finite elements with a non-Galerkin weighting. For structural analysis this can readily be interpreted as equivalent to the unit displacement method which involves mainly surface integrals. Both displacement and mixed FV formulations are presented for static and dynamic problems.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370202
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    Element-free Galerkin methods (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 229-256 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An element-free Galerkin method which is applicable to arbitrary shapes but requires only nodal data is applied to elasticity and heat conduction problems. In this method, moving least-squares interpolants are used to construct the trial and test functions for the variational principle (weak form); the dependent variable and its gradient are continuous in the entire domain. In contrast to an earlier formulation by Nayroles and coworkers, certain key differences are introduced in the implementation to increase its accuracy. The numerical examples in this paper show that with these modifications, the method does not exhibit any volumetric locking, the rate of convergence can exceed that of finite elements significantly and a high resolution of localized steep gradients can be achieved. The moving least-squares interpolants and the choices of the weight function are also discussed in this paper.
    Additional Material: 26 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370205
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    Large deflection inelastic pseudo-transient analysis of laminated composite plates (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 37-48 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A pseudo-transient (static) linear, geometric, material and combined geometric and material non-linear analyses of composite laminates are presented. A nine-noded isoparametric quadrilateral finite element belonging to the Lagrangiar family is used in space discretization. An explicit time marching scheme is employed for time integration of the resulting discrete ordinary differential equations with the special forms of diagonal fictitious mass and/or damping matrices. Elasto-plastic material behaviour is incorporated using the flow theory of plasticity. In particular, a modified version of Hill's initial yield criterion is used in which anisotropy parameters of plasticity are introduced. The shear deformation is accounted for by assuming a constant transverse shear strain across the thickness of the laminate and the geometric non-linearity is considered in the sense of von Karman strains. The layered element approach is adopted for the treatment of plastic behaviour through the thickness. A wide range of numerical examples is presented to demonstrate the validity and efficiency of the present approach. The results for combined non-linearity are also presented. The variety of results presented here, which are based on realistic material properties of often-used advanced laminated composite plates, and especially those for combined non-linear analysis, should serve as a reference for future investigations.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370104
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    A variationally coupled FE-BE method for transient problems (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 91-105 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A variationally coupled finite element-boundary element method is developed for transient problems. A single variational statement is obtained for the entire domain and the unknown tractions, which may be discontinuous on the interface and are often a source of difficulties, are eliminated. Moreover, no interface conditions need be taken into consideration at the level of the discretized equation. The discrete equations for the coupled system can be obtained directly without any intermediate steps. The method generalizes a coupling method previously developed by the authors for statics. Numerical examples show that the solutions obtained by the present method agree very well with those obtained by analytical solutions.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370107
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    An accurate shear-deformable six-node triangular plate element for laminated composite structures (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 431-455 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A six-node triangle plate/shell element is developed for the analysis of laminated composite structures. This model is formulated using Hamilton's principle along with a first-order (Reissner/Mindlin) shear deformation theory. The element is based upon an isoparametric representation along with an interdependent interpolation strategy; bicubic polynomials for the transverse displacement and biquadratic polynomials for the element geometry, in-plane displacements and rotations. The resulting element, which is evaluated using exact numerical integration, has correct rank and is free of shear ‘locking’. Numerical results are presented that validate the new element and prove its outstanding convergence capabilities in comparison to existing triangular elements using standardized test problems (elastic eigenvalue analysis, patch test, static simply supported square-plate solutions) and experimentally measured vibration data of cantilevered isotropic and composite plates.
    Additional Material: 13 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370305
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    Stability of collapsed 8-node 2-D and 20-node 3-D isoparametric finite elements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 475-496 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The collapse of ordinary finite elements to generate the desired strain singularity at the crack tip for fracture mechanics applications can lead to unwanted additional singularities in that area. Although neither the quarter-point nor the half-point 8-node two-dimensional (2-D) and 20-node three-dimensional (3-D) elements exhibit this behaviour, the present article proves that arbitrarily small deviations from the quarter-point element can be constructed which do have additional singularities. Since the general behaviour of the half-point element is not affected by small modifications, this element is better suited to match complex body geometries.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370307
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    Conference diary (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 537-538 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620370310
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    Superconvergent patch recovery with equilibrium and conjoint interpolant enhancements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 517-536 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The superconvergent patch derivative recovery method of Zienkiewicz and Zhu is enhanced by adding the squares of the residuals of the equilibrium equation and natural boundary conditions. In addition, a new conjoint polynomial for interpolating the local patch stresses over the element which significantly improves the local projection scheme is presented. Results show that in the 4-node quadrilateral, the equilibrium and boundary condition residuals usually improve accuracy but not the rate of convergence, whereas in the 9-node quadrilateral, results are mixed. The conjoint polynomial always improves the accuracy of the derivative field within the element as compared to the standard nodal interpolation, particularly in 4-node quadrilaterals.
    Additional Material: 21 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370309
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    A quadrilateral hybrid stress element for Mindlin plates based on incompatible displacements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 279-296 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An hybrid stress element formulation based on internal, incompatible displacements is used to develop efficient Mindlin plate elements. The 4-node quadrilateral Mindlin plate element is derived from a modified energy functional. Both displacements and stresses are defined in the natural co-ordinate interpolation system. The assumed stress field is obtained by tensor transformation and so chosen as to ensure that the element is co-ordinate invariant and stable. Shear locking is avoided through an appropriate identification of the internal, incompatible displacement field. The role played by incompatible displacements in the formulation of hybrid stress elements for thin and moderately thick plates is discussed. Numerical applications are presented to illustrate the accuracy and reliability of the suggested Mindlin plate element.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370207
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    A comparison of Lanczos and optimization methods in the partial solution of sparse symmetric eigenproblems (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 605-621 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the present paper, we analyse the computational performance of the Lanczos method and a recent optimization technique for the calculation of the p (p ≤ 40) leftmost eigenpairs of generalized symmetric eigenproblems arising from the finite element integration of elliptic PDEs. The accelerated conjugate gradient method is used to minimize successive Rayleigh quotients defined in deflated subspaces of decreasing size. The pointwise Lanczos scheme is employed in combination with both the Cholesky factorization of the stiffness matrix and the preconditioned conjugate gradient method for evaluating the recursive Lanczos vectors. The three algorithms are applied to five sample problems of varying size up to almost 5000. The numerical results show that the Lanczos approach with Cholesky triangularization is generally faster (up to a factor of 5) for small to moderately large matrices, while the optimization method is superior for large problems in terms of both storage requirement and CPU time. In the large case, the Lanczos-Cholesky scheme may be very expensive to run even on modern quite powerful computers.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370405
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    A new eight-node quadrilateral shear-bending plate finite element (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 387-411 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new eight-node quadrilateral shear-bending Reissner-Mindlin plate finite element for the very thin and thick plates without locking and spurious zero-energy modes is presented. The element has very good convergence characteristics both for thin and thick plates, is hardly insensitive to mesh distortions, and passes the patch tests. The formulation of the element is derived from a displacement variational principle and some general criteria to compute inconsistent transverse shear strains. These criteria have been applied with success to four- and eight-node quadrilateral plate finite elements and could be applied to construct triangular elements. The eight-node quadrilateral shear-bending plate finite element proposed has been found to be very efficient.
    Additional Material: 15 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370303
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    A unified theory for formulation of hybrid stress membrane elements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 457-474 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A theory is proposed in this paper to explain, in a unified manner, the three rational approaches using the incompatible displacements uλ in the hybrid element formulation. Limited to the plane stress case, the theory suggests that the introduction of uλ is to constrain the total value of the invariant I2(= σxσy - τxy2) of the assumed stresses over the element to zero. In the plane stress case, this is the well-known condition for the stress distributions to be independent of the elastic constants of the material. The theory proposed is also used to explain the closeness of the performances of the four 4-node hybrid stress membrane elements, 5β-I, 5β-II, 5β-A and 5β-C, that have been developed previously. The differences among them are shown to be of the second degree in the distortion measures of the element shape, when they are compared on the basis of the non-vanishing total value of I2 of their respectively adopted assumed stress field. Several numerical examples are used to verify and to illustrate the proposed theory.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620370306
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    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620370401
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    The use of Stokes' fundamental solution for the boundary only element formulation of the three-dimensional Navier-Stokes equations for moderate Reynolds numbers (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1825-1840 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper presents a boundary element formulation for the permanent Navier-Stokes equations in which the well-known closed-form fundamental solution for the steady Stokes equations is employed. In this way, from the integral representation formulae for the Stokes' equations, an integral equation is found in which the original non-linear convective terms of the Navier-Stokes equations appear as a domain integral. Additionally, the method of dual reciprocity is used to transform the domain integral to boundary integrals (this method is closely related to the method of particular integrals also used in the literature to transform domain integrals to boundary integrals). Numerical results are presented for the three-dimensional internal flow in a cylindrical container with a rotating cover, in which the accuracy of the method is shown.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620371104
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    An intrinsic beam model based on a helicoidal approximation - Part II: Linearization and finite element implementation (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2291-2309 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The helicoidal beam model developed in the first part of this work is applied here to the development of a mixed finite element for space-curved and twisted beams undergoing large displacements and finite rotations. Starting from the governing weak form expressed by the principle of virtual work, a consistent linearization is obtained in the following and a novel updated Lagrangian finite element implementation is thoroughly discussed.The unique features and the distinguishing properties previously claimed for the helicoidal model are shown here to imply remarkable numerical consequences. For this purpose, meaningful example problems regarding the non-linear static response of beams are addressed in the following and the results are compared with those available from the literature.Furthermore, a finite element in time for the rigid body dynamic problem is developed within the framework of the helicoidal geometry. The underlying philosophy of this novel finite element for dynamics is the realization of the helicoidal decomposition of the rigid body motion within a time step.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620371309
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    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371401
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    Shape optimization in frictionless contact problems (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2311-2335 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element approach for shape optimization in two-dimensional (2-D) frictionless contact problems is presented in this work. The goal is to find the shape that gives a constant distribution of stresses along the contact boundary.The whole formulation, including mathematical model for the unilateral problem, sensitivity analysis and geometry definition is treated in a continuous form, independently of the discretization in finite elements. Shape optimization is performed by direct modification of geometry through B-spline curves and an automatic mesh generator is used at each new configuration to provide the finite element input data for numerical analysis and sensitivity computations. Using augmented-Lagrangian techniques (to solve the contact problem) and an interior-point mathematical-programming algorithm (for shape optimization), we obtain several results reported at the end of the article.
    Additional Material: 11 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620371310
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    Conference diary (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2337-2338 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371311
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    Application of generalized differential quadrature method to structural problems (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1881-1896 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper presents the first endeavour to exploit a generalized differential quadrature method as an accurate, efficient and simple numerical technique for structural analysis. Firstly, drawbacks existing in the method of differential quadrature (DQ) are evaluated and discussed. Then, an improved and simpler generalized differential quadrature method (GDQ) is introduced to overcome the existing drawback and to simplify the procedure for determining the weighting coefficients. Subsequently, the generalized differential quadrature is systematically employed to solve problems in structural analysis. Numerical examples have shown the superb accuracy, efficiency, convenience and the great potential of this method.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620371107
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    Announcements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3015-3018 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371711
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    Conference diary (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3019-3021 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371712
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    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371801
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    Implementation of discrete fuzzy structure models in Mathematica (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3005-3014 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Since Soize introduced the concept of fuzzy structures in structural acoustics there has been little activity clarifying the basic elements which underlie his theory. Soize's papers are not easy reading due to the high level of mathematical formalism. In addition Soize simultaneously bases this fuzzy structure theory on two components: (1) a model for one Degree Of Freedom (DOF) fuzzy oscillators, and (2) a medium frequency solution method developed previously. It is unclear as to the role of the two components, although others have already undertaken a study of the medium frequency method by itself.In the present paper a fundamental analysis of the first component, the one-DOF fuzzy oscillators, is undertaken. The symbolic manipulation program Mathematica is utilized to gain insight into this component of Soize's fuzzy theory. The resulting Mathematica simulations are easy to use and interpret, and they provide valuable insight into the parameters composing Soize's fuzzy oscillators. It is determined that in many cases of structural acoustics, where there is small damping and a medium to high modal density, the fuzzy mass primarily determines what effect a discrete fuzzy oscillator will have as an attachment.
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    The Cartesian collapsed-dimension method for use in numerical 2-D radiation calculations in absorbing-emitting media (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3023-3036 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new numerical approach has been devised for performing accurate absorbing-emitting non-scattering radiation calculations for Cartesian co-ordinate based problems with one ordinate symmetry using only the solution plane formed by the other two ordinates. To accomplish this, the method makes use of ‘effective intensity rays’ which only exist and have meaning in the solution plane of the problem but which are made, through a special procedure, to contain the information of the third dimension. This novel procedure thus eliminates the problem of solid angles and greatly reduces both the complexity and computational expense involved in the solution of such problems. Yet it can do this without producing loss in accuracy. The approach is ultimately intended for use in combustion problems involving high temperatures and optically thin media. For verification purposes the method is applied to the problem of heat exchange in infinitely long rectangular enclosures and is found to give excellent results over a optical thickness range that includes the optically very thin case.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371802
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  • 92
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    Conference diary (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1978-1979 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371113
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    Preface (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2525-2525 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371502
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  • 94
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    Efficient three-dimensional Delaunay triangulation with automatic point creation and imposed boundary constraints (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2005-2039 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A method is described which constructs three-dimensional unstructured tetrahedral meshes using the Delaunay triangulation criterion. Several automatic point creation techniques will be highlighted and an algorithm will be presented which can ensure that, given an initial surface triangulation which bounds a domain, a valid boundary conforming assembly of tetrahedra will be produced. Statistics of measures of grid quality are presented for several grids. The efficiency of the proposed procedure reduces the computer time for the generation of realistic unstructured tetrahedral grids to the order of minutes on workstations of modest computational capabilities.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371203
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  • 95
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    Coupled transient thermoelastic contact problems for axial cracks in hollow cylinders (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2109-2123 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A coupled transient thermoelastic behaviour of an axial-cracked hollow circular cylinder subjected to a sudden heating is investigated in this study. It is shown that surface heating may induce the compressive thermal stress near the inner surface of the cylinder which in turn may force the cracked surfaces to close together. Assuming that the existence of the crack does not alter the temperature distribution, we can divide this problem into two parts and solve it by the principle of superposition. First, the temperature and transient thermal stress distributions along the axisymmetric surface of the imaginary cylinder without crack are obtained by finite element implicit time integration method Secondly, the opposite sense of the stress distributions along the cracked surfaces, which is obtained previously, is treated as the traction boundary conditions; the contact length and contact pressure of the real cracked cylinder are obtained by modified elimination finite element scheme. Finally, we also obtained the normalized stress intensity factor for the crack tip of the cylinder. It is concluded that the effect due to thermoelastic coupling term on stress intensity factor becomes more important for higher coupling coefficient, and this coupling term also results in a small time lag in temperature, thermal stress and stress intensity factor.
    Additional Material: 18 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371207
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  • 96
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    Conference diary (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2149-2150 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371210
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  • 97
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371301
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  • 98
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    Announcements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2699-2700 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371511
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  • 99
    Electronic Resource
    Electronic Resource
    A generalized elastoplastic plate theory and its algorithmic implementation (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2583-2608 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In continuum mechanics within specific classes of problems, one- or two-dimensional theories are often simpler to apply than the more complete three-dimensional one. This is, for example, the case of thin bodies, such as plates or shells, which may be studied using appropriate two-dimensionai theories.Within this approach, the reduction of the dimension is traded for a loss of information relative to the motion in the transverse direction. For example, in the case of non-linear material behaviour, classical plasticity plate theories are usually not able to model the effects related to the spreading of plasticity through the cross-section.In the present paper we discuss a generalized plasticity plate model, which can be used to reproduce some of the three-dimensional effects in a two-dimensional setting. We present the continuous and the discrete time model, including both isotropic and kinematic hardening mechanisms; moreover, the form of the tangent matrix consistent with the discrete model is addressed.Finally, some examples (cantilever beam, clamped circular plate and clamped square plate under monotonic and cyclic loading) are studied numerically using a three-dimensional classical plasticity theory, a classical plasticity plate theory and the proposed plate theory. The generalized plasticity plate model matches the three-dimensional response with greater accuracy, than the classical plasticity plate model.
    Additional Material: 19 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371506
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  • 100
    Electronic Resource
    Electronic Resource
    Dynamic stability of non-linear shells of revolution under consideration of the fluid-soil-structure interaction (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2679-2697 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The dynamic behaviour of liquid-filled shells of revolution is investigated considering the soil-structure interaction and the fluid-structure interaction, respectively. In the circumferential direction the loads and variables are approximated by Fourier series. The shell is modelled through shell ring elements including non-linear behaviour, coupled with isoparametric continuum ring elements and special infinite elements for the soil and isoparametric pressure ring elements for the fluid. Transient loadings like earthquake excitation and the non-linearities of the shell and the soil require an analysis in the time domain. To reduce the size of the problem, linear parts of the system are condensed by the substructure technique. The soil region is divided into two parts, a near field permitting non-linearities like plastification or uplifting of the shell, and a far field for the treatment of radiation of energy.The boundary conditions for the shell footing have a strong influence on the distribution of the axial membrane forces and, hence, on the stability limit, which is mostly governed by plastic collapse and caused by the dynamically activated pressure acting on the tank wall. It is shown how the soil properties influence the dynamic stability of the shell under harmonic excitation and under realistic earthquake motion.
    Additional Material: 22 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371510
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