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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 78 (1995), S. 1011-1026 
    ISSN: 1572-9613
    Keywords: Pattern selection ; symmetry breaking ; rigid disks ; close packing ; crystalline order ; point defects ; rattlers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract As a new example of spontaneous pattern formation in many-body systems, we examine the collective means by which a close-packed disk crystal reacts to the presence of a single oversized impurity disk. Computer simulation has been used for this purpose; it creates the jammed impurity-containing packings by a kinetic particle-growth algorithm. Hexagonal primitive cells with periodic boundary conditions were employed, and the “natural” number 3n 2 of disks (including the impurity) ranged upt to 10,800. For impurity diameter 1.2 times that of the other disks, the patterns of observed crystal perturbation displayed several remarkable features. Particle displacements relative to the unperturbed triangular crystal possess local irregularity but long-range coherence. The symmetry of the coherent patterns preserved that of the hexagonal cell for rapid growth, but was lower for slower growth. The final jammed packings contain “rattler” disks of the sort known to apper in random disk packings. Finally, the area increase induced by the presence of a fixed-size impurity appears to grow without bound as the system size (i.e., 3n 2) itself increases.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 60 (1990), S. 561-583 
    ISSN: 1572-9613
    Keywords: Rigid disks ; rigid spheres ; random packings ; rattlers ; grain boundaries ; vacancies ; hexatic phases
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Random packings ofN⩽2000 rigid disks in the plane, subject to periodic boundary conditions on a square primitive cell, have been generated by a concurrent construction which treats all disks on an equal footing, as opposed to previously investigated sequential constructions. The particles start with random positions and velocities, and as they move about they grow uniformly in size, from points to jammed disks. The collection of packings displays several striking geometric features. These include (for largeN) typically polycrystalline textures with irregular grain boundaries and linear shear fractures. The packings occasionally contain monovacancies and trapped but unjammed “rattler” disks. The latter appear to be confined to the grain boundaries. The linear shear fractures preserve bond orientational order, but disrupt translational order, within the crystalline grains. A new efficient event-driven simulation algorithm is employed to generate the histories of colliding and jamming disks. On a computer which can process one million floating-point instructions per second the algorithm processes more than one million pairwise collisions per hour.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Periodica mathematica Hungarica 34 (1997), S. 123-142 
    ISSN: 1588-2829
    Keywords: Simulated billiards ; random and tight packings ; polycrystalline ; rattlers ; frustration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract Using a computational procedure that imitates tightening of an assembly of billiard balls, we have generated a number of packings of n equal and non-equal disks in regions of various shapes. Our experiments are of three major types. In the first type, the values of n are in thousands, the initial disk configuration is random and a priori one expects the generated packings to be random. In fact, the packings turn out to display non-random geometric patterns and regular features, including polycrystalline textures with "rattlers" typically trapped along the grain boundaries. An experiment of the second type begins with a known or conjectured optimal disk packing configuration, which is then "frustrated" by a small perturbation such as variation of the boundary shape or a relative increase of the size of a selected disk with respect to the sizes of the other disks. We present such frustrated packings for both large n (~ 10, 000) and small n (~ 50 to 200). Motivated by applications in material science and physics, the first and second type of experiments are performed for boundary shapes rarely discussed in the literature on dense packings: torus, a strip cut from a cylinder, a regular hexagon with periodic boundaries. Experiments of the third type involve the shapes popular among mathematicians: circles, squares, and equilateral triangles the boundaries of which are hard reflecting walls. The values of n in these experiments vary from several tens to few hundreds. Here the obtained configurations could be considered as candidates for the densest packings, rather than random ones. Some of these conjecturally optimal packings look regular and the regularity often extends across different values of n. Specifically, as n takes on an increasing sequence of values, n = n(1), n(2), ...n(k), ..., the packings follow a well-defined pattern. This phenomenon is especially striking for packings in equilateral triangles, where (as far as we can tell from our finite computational experiments), not only are there an infinite number of different patterns, each with its own different sequence n(1), n(2), ...n(k), ..., but many of these sequences seem to continue indefinitely. For other shapes, notably squares and circles, the patterns either cease to be optimal or even cease to exist (as packings of non-overlapping disks) above some threshold value n(k0) (depending on the pattern). In these cases, we try to identify the values of n(k0).
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 33 (1993), S. 293-303 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This report continues to explore the use of a strategy known as the antlion method for predicting polypeptide and protein structure. The method involves deformation of a biopolymer's potential energy hypersurface in order to retain only a single minimum, near to the native structure. The vexing multiple minimum problem thus is relieved, and the deformed hypersurface constitutes a key element in three-dimensional structure predictions with atomic resolution. In this more demanding pilot study, we provide evidence that the antlion method is capable of dramatically simplifying the surface of polypeptides by successfully predicting the native form of the naturally occurring 26-residue polypeptide melittin. The systematic hypersurface modifications employed in our previous work have been used again for this case, but have been supplemented by the output of a suitable neural network. This neural network involves a new feature: the use of amino acid biophysical scales for improving the secondary structure prediction accuracy of simple perceptrons. © 1993 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 42 (1991), S. 1319-1331 
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A new approach was proposed to consolidate the many adhesion theories into one coherent concept. The maximum attractive force between two sets of molecules (adhesion strength) is derived from the Lennard-Jones potential function and calculated with measured bond length and bond energy. It leads to two criteria for strong adhesion: intimate molecular contact of closer than 9 Å (necessary condition), and maximum attractive force with minimum potential energy (sufficient condition). The criteria conform to the key elements of most prior adhesion theories. Seven prior adhesion theories and their relevance to these two criteria were briefly reviewed/discussed. In order to draw up a set of guidelines on adhesion and supplement the missing pieces of information, 21 model polymers of varied functionality were synthesized to study (1) the effect of polar groups on adhesion and (2) the effect of polymer conformations on adhesion. The results indicate that polar groups are more effective in polymer backbone than in side chains for promoting adhesion. The presence of both hydrogen donors and acceptors in the same backbone maximizes adhesion. True (active) solvents enhance adhesion, cosolvents (latent solvents) boost adhesion by inducing favorable conformation of polymers in solution, but thinners (diluents) reduce adhesion. The set of guidelines covered the effects of functional groups, solvent blends, pigment loadings, adhesion promotion, and adhesion loss.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 6
    ISSN: 0935-9648
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    Journal of Polymer Science 6 (1951), S. 780-780 
    ISSN: 0022-3832
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    Journal of Polymer Science 17 (1955), S. 1-20 
    ISSN: 0022-3832
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: As an extension of our original program, one more polystyrene fraction was investigated in numerous laboratories by means of viscosimetry, osmometry, light scattering, and ultracentrifuge. The various results are compared and critically discussed. Possible explanations and suggestions for improvement are offered in those cases in which considerable discrepancies occur. The viscosity results show satisfactory agreement. The discrepancies among osmotic results are believed to be due largely to unsatisfactory performance of the so-called semipermeable membranes. Discrepancies among light-scattering results can mostly be traced back to the unsatisfactory state of the various calibration techniques. The results obtained with the ultracentrifuge agree quite satisfactorily.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 9
    ISSN: 0022-3832
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The variation of stress and birefringence occurring during the relaxation of elongated samples of polyisobutylene at constant length was observed at temperatures between -40° and +50°C. It is found that stress and birefringence relax in the same way throughout this region, and that the quantity (stress/birefringence × temperature) is a constant. This indicates that this material behaves in a manner consistent with the kinetic theories of elasticity and birefringence for an ideal rubber, and that the statistical segment size is fairly independent of temperature in this range. A value of 3.5 × 10-24 cm.3 is obtained for the difference between the principal polarizabilities of the statistical segment.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    Journal of Polymer Science 20 (1956), S. 218-223 
    ISSN: 0022-3832
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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