Paper Title:
Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction
  Abstract

A simulated annealing like optimization method has been successfully applied for the determination of global minimum of equation of state (EoS) parameters. The approach is tested using the program TOPAS on a high precision variable pressure data set of quartz [R.J. Angel, D.R. Allan, R. Miletich, L.W. Finger: J. Appl. Cryst. Vol 30 (1997) p. 461] It is evidenced that least-squares refinement finds the global minimum for all EoS except for the Birch-Murnaghan EoS of fourth order for which it is shown that a clearly distinguished global minimum does not exist, at least for the used data set. The method presented herein serves as a fast test for the global minimum verification for the EoS parameters but should be applicable also to other optimisation problems.

  Info
Periodical
Edited by
Paolo Scardi and Robert E. Dinnebier
Pages
71-77
DOI
10.4028/www.scientific.net/MSF.651.71
Citation
I. Halasz, R. E. Dinnebier, "Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction", Materials Science Forum, Vol. 651, pp. 71-77, 2010
Online since
May 2010
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$32.00
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