Mayer group expansion for solids: Application to molecular crystals
| Autor: | E. S. Yakub, L. N. Yakub |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
010302 applied physics
Materials science Physics and Astronomy (miscellaneous) Group (mathematics) Monte Carlo method Transition line General Physics and Astronomy Thermodynamics 01 natural sciences Methane chemistry.chemical_compound symbols.namesake chemistry Phase (matter) Helmholtz free energy 0103 physical sciences symbols 010306 general physics Phase diagram |
| Zdroj: | Low Temperature Physics. 46:118-124 |
| ISSN: | 1090-6517 1063-777X |
| Popis: | An approach to evaluation of the Helmholtz free energy using a combination of the Mayer group expansion for molecular crystals and classical Metropolis Monte Carlo method is developed and applied to solid heavy methane CD4. The location of the phase I-phase II transition line on phase diagram is assessed and compared with existing experimental and computer simulation data.An approach to evaluation of the Helmholtz free energy using a combination of the Mayer group expansion for molecular crystals and classical Metropolis Monte Carlo method is developed and applied to solid heavy methane CD4. The location of the phase I-phase II transition line on phase diagram is assessed and compared with existing experimental and computer simulation data. |
| Databáze: | OpenAIRE |
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