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

Abstract:

Article Preview

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 and 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

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.