CALCULATIONAL METHODS FOR PREDICTING PHASE-TRANSITIONS IN SIMPLE MOLECULAR-SOLIDS

Authors
ETTERS RD KUCHTA B
Citation
Rd. Etters et B. Kuchta, CALCULATIONAL METHODS FOR PREDICTING PHASE-TRANSITIONS IN SIMPLE MOLECULAR-SOLIDS, Fizika nizkih temperatur, 19(5), 1993, pp. 526-530
Citations number
29
Categorie Soggetti
Physics, Applied
Journal title
Fizika nizkih temperatur → ACNP
ISSN journal
01326414
Volume
19
Issue
5
Year of publication
1993
Pages
526 - 530
Database
ISI
SICI code
0132-6414(1993)19:5<526:CMFPPI>2.0.ZU;2-U
Abstract
Techniques are developed for calculating phase transitions in solids w here entropy contributions to the Gibbs free energy may be important a nd/or where large potential barriers between competing phases exist. T hese methods are applied to solid N2O, CO2, and N2. Results are descri bed.