Pregled bibliografske jedinice broj: 501140
Simulated annealing approach for global minimum verification in modeling of pressure-volume dependence by equations of state obtained by high-pressure diffraction
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, 651 (2010), 71-77 doi:10.4028/www.scientific.net/MSF.651.71 (međunarodna recenzija, članak, znanstveni)
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Naslov
Simulated annealing approach for global minimum verification in modeling of pressure-volume dependence by equations of state obtained by high-pressure diffraction
Autori
Halasz, Ivan ; Dinnebier, Robert E.
Izvornik
Materials science forum (0255-5476) 651
(2010);
71-77
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
global optimization ; simulated annealing ; high-pressure ; equation of state
Sažetak
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 leastsquares 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.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Scopus
