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  • Electronic Resource  (15)
  • Polymer and Materials Science  (6)
  • X-ray diffraction  (3)
  • global convergence  (3)
  • thermal decomposition  (3)
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  • Electronic Resource  (15)
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    International Journal of Mass Spectrometry and Ion Processes 116 (1992), S. 127-142 
    ISSN: 0168-1176
    Keywords: dipeptides ; laser desorption ; multiphoton ionization ; pulsed rapid heating ; thermal decomposition
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 26 (1999), S. 206-211 
    ISSN: 1432-2021
    Keywords: Key words Iron ; Fe ; Si alloy ; X-ray diffraction ; Equation of state ; Thermoelasticity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract  We have carried out an in situ synchrotron X-ray diffraction study on iron and an iron-silicon alloy Fe0.91Si0.09 at simultaneously high pressure and temperature. Unit-cell volumes, measured up to 8.9 GPa and 773 K on the bcc phases of iron and Fe0.91Si0.09, are analyzed using the Birch-Murnaghan equation of state and thermal pressure approach of Anderson. Equation of state parameters on iron are found to be in agreement with results of previous studies. For both iron and Fe0.91Si0.09, thermal pressures show strong dependence on volume; the (∂KT/∂T)V values are considerably larger than those previously reported for other solids. The present results, in combination with our previous results on ɛ-FeSi, suggest a small dependency of the room-temperature bulk modulus upon the silicon content, less than 0.3 GPa for 1 wt.% silicon. We also find that substitution of silicon in iron would not appreciably change the thermoelastic properties of iron-rich Fe−Si alloys. If this behavior persists over large pressure and temperature ranges, the relative density contrast between iron and iron-rich Fe−Si alloys at conditions of the outer core of the Earth could be close to that measured at ambient conditions, i.e., 0.6% for 1 wt.% Si.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of thermal analysis and calorimetry 58 (1999), S. 269-278 
    ISSN: 1572-8943
    Keywords: non-isothermal kinetics ; norfloxacin ; thermal decomposition ; Zn(II) complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The thermal decomposition of Zn[NFA]2⋅5H2O (NFA=C16H18FN3O3, norfloxacin) and its kinetics were studied under non-isothermal conditions in air by TG-DTG and DTA methods. The intermediate and residue for each decomposition were identified from the TG curve. The non-isothermal kinetic data were analyzed by means of the Achar method and the Madhusudanan-Krishnan-Ninan (MKN) method. The possible reaction mechanisms were investigated by comparing the kinetic parameters. The kinetic equation for the second stage can be expressed as dα/dt=Aexp(−E/RT)(1−α).
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 26 (1999), S. 419-424 
    ISSN: 1432-2021
    Keywords: Key words Iron ; Fe-Si alloys ; X-ray diffraction ; Phase transformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract In situ X-ray diffraction experiments at high pressure were carried out up to 8.9 GPa and 1100 °C to study phase transformations of iron and two iron-silicon alloys Fe0.91Si0.09 and Fe0.83Si0.17. For iron, the transformation from the bcc phase to the fcc phase was observed at pressures 3.8–8.2 GPa and temperatures that are consistent with previous in situ X-ray diffraction studies. Reversal of the transformation of iron was found to be sensitive to temperature; hysteresis of the transformation increased from 25 °C at 3.8 GPa to 100 °C at 7.0 GPa, primarily because the bcc-fcc phase boundary has a negative Clayperon slope. In the binary system Fe-Si, the observations of the present study indicate that the ferrite (bcc phase)-stabilizing behavior of silicon persists at high pressures and that the maximum solubility of silicon in the fcc phase increases with increasing pressure: (1) the transformation from the bcc phase to the fcc phase was observed in Fe0.91Si0.09 at 6.0, 7.4 and 8.9 GPa and the temperatures measured at the onset of the transformations were 300 °C higher than those in iron at similar pressures, (2) the transformation rate in Fe0.91Si0.09 was extremely sluggish compared to that of iron, and (3) the bcc-fcc phase transformation was not observed in Fe0.91Si0.09 at 4.7 GPa up to 1000 °C and in Fe0.83Si0.17 at 8.2 GPa and 1100 °C.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 27 (2000), S. 145-148 
    ISSN: 1432-2021
    Keywords: Key words MgO ; X-ray diffraction ; Thermal expansion ; Equation of state
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract Isobaric volume measurements for MgO were carried out at 2.6, 5.4, and 8.2 GPa in the temperature range 300–1073 K using a DIA-type, large-volume apparatus in conjunction with synchrotron X-ray powder diffraction. Linear fit of the thermal expansion data over the experimental pressure range yields the pressure derivative, (∂α/∂P) T , of −1.04(8) × 10−6 GPa−1 K−1 and the mean zero-pressure thermal expansion α0, T  = 4.09(6) × 10−5 K−1. The α0, T value is in good agreement with results of Suzuki (1975) and Utsumi et al. (1998) over the same temperature range, whereas (∂α/∂P) T is determined for the first time on MgO by direct measurements. The cross-derivative (∂α2/∂P∂T) cannot be resolved because of large uncertainties associated with the temperature derivative of α at all pressures. The temperature derivative of the bulk modulus, (∂K T/∂T) P , of −0.025(3) GPa K−1, obtained from the measured (∂α/∂P) T value, is in accord with previous findings.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Journal of thermal analysis and calorimetry 62 (2000), S. 747-755 
    ISSN: 1572-8943
    Keywords: benzoic acid ; europium complex ; kinetics ; non-isothermal ; thermal decomposition
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The thermal decomposition of Eu2(BA)6(bipy)2 (BA=C2H5N– 2, benzoate; bipy=C10H8N2, 2,2'-bipyridine)and its kinetics were studied under the non-isothermal condition by TG-DTG, IR and SEM methods. The kinetic parameters were obtained from analysis of the TG-DTG curves by the Achar method, the Madhusudanan-Krishnan-Ninan (MKN) method, the Ozawa method and the Kissinger method. The most probable mechanism function was suggested by comparing the kinetic parameters. The kinetic equation for the first stage can be expressed as: dα/dt=Aexp(–E/RT)3(1–α)2/3.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Journal of optimization theory and applications 106 (2000), S. 551-568 
    ISSN: 1573-2878
    Keywords: nonsmooth optimization ; inexact Newton methods ; generalized Newton methods ; global convergence ; superlinear rate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract Motivated by the method of Martinez and Qi (Ref. 1), we propose in this paper a globally convergent inexact generalized Newton method to solve unconstrained optimization problems in which the objective functions have Lipschitz continuous gradient functions, but are not twice differentiable. This method is implementable, globally convergent, and produces monotonically decreasing function values. We prove that the method has locally superlinear convergence or even quadratic convergence rate under some mild conditions, which do not assume the convexity of the functions.
    Type of Medium: Electronic Resource
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  • 8
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Optically active isotactic polychloral was prepared in which the optical activity comes exclusively from molecular asymmetry (i.e., helical conformation). Molecular asymmetry requires a high conformational energy barrier for the polymer backbone, and an asymmetric initiator to induce a predominance of one helical screw-sense. Polychloral meets the criteria. Asymmetric initiators used to obtain optically active polychloral include tetramethyl ammonium (+)- or (-)-0-acetylmandelate, tetramethylammonium (+)- or (-)-0-methylmandelate, the lithiumalkoxides of methyl (+)- or (-)-mandelate, lithium cholesten-3β-oxide, lithium cholestan-3β-oxide, and lithium (+)- or (-)-2-octanoxide. Using the above initiators at 0.5 mol %, a maximum specific rotation of [α] D25 = 5000 was obtained for polychloral. Errors in specific rotation were typically ±7%.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Journal of optimization theory and applications 102 (1999), S. 127-146 
    ISSN: 1573-2878
    Keywords: Trust-region methods ; unconstrained optimization ; Bunch–Parlett factorization ; optimal paths ; global convergence ; local convergence rates
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract Trust-region algorithms solve a trust-region subproblem at each iteration. Among the methods solving the subproblem, the optimal path algorithm obtains the solution to the subproblem in full-dimensional space by using the eigenvalues and eigenvectors of the system. Although the idea is attractive, the existing optimal path method seems impractical because, in addition to factorization, it requires either the calculation of the full eigensystem of a matrix or repeated factorizations of matrices at each iteration. In this paper, we propose a scaled optimal path trust-region algorithm. The algorithm finds a solution of the subproblem in full-dimensional space by just one Bunch–Parlett factorization for symmetric matrices at each iteration and by using the resulting unit lower triangular factor to scale the variables in the problem. A scaled optimal path can then be formed easily. The algorithm has good convergence properties under commonly used conditions. Computational results for small-scale and large-scale optimization problems are presented which show that the algorithm is robust and effective.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Journal of optimization theory and applications 67 (1990), S. 369-393 
    ISSN: 1573-2878
    Keywords: Two-sided projected Hessians ; trust regions ; differentiable penalty functions ; global convergence ; two-step Q-superlinear rate ; constrained optimization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract In Ref. 1, Nocedal and Overton proposed a two-sided projected Hessian updating technique for equality constrained optimization problems. Although local two-step Q-superlinear rate was proved, its global convergence is not assured. In this paper, we suggest a trust-region-type, two-sided, projected quasi-Newton method, which preserves the local two-step superlinear convergence of the original algorithm and also ensures global convergence. The subproblem that we propose is as simple as the one often used when solving unconstrained optimization problems by trust-region strategies and therefore is easy to implement.
    Type of Medium: Electronic Resource
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