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Calculation of elastic constants using isothermal molecular dynamics

โœ Scribed by Ray, John R.; Moody, Michael C.; Rahman, Aneesur


Book ID
118056691
Publisher
The American Physical Society
Year
1986
Tongue
English
Weight
386 KB
Volume
33
Category
Article
ISSN
1098-0121

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๐Ÿ“œ SIMILAR VOLUMES


Isothermal molecular dynamics calculatio
โœ L.V. Woodcock ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 478 KB

The molecular dynamics algorithm of Verlet is extended to study dense neukai assemblies of charged particles under specified.V-T conditions. Thermodynamic quantities are obtained for liquid alkali chkrides at 1273ยฐK which are in satisfactory agreement with experiment.