Published July 15, 1985
| Version v1
Journal article
Molecular dynamics calculation of elastic constants for a crystalline system in equilibrium
Creators
- 1. Kinard Laboratory of Physics, Clemson University, Clemson, South Carolina 29631
Description
We have performed molecular dynamics calculations for a crystalline system in equilibrium to show that by using a fluctuation formula involving the internal stress tensor it is possible to calculate the elastic constants at the ambient temperature with ease and accuracy. The method also allows one to calculate the elastic constants when the system is subjected to an arbitrary external stress
Additional details
Publishing Information
- Journal Title
- Phys. Rev., B: Condens. Matter
- Journal Volume
- 32
- Journal Issue
- 2
- Series
- Phys. Rev., B: Condens. Matter.
- Journal Page Range
- 733-735
- ISSN
- 0163-1829
- CODEN
- PRMBD
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 17000350
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- CRYSTALS; ELASTICITY; EQUILIBRIUM; FLUCTUATIONS; STRESSES; TENSORS
- Descriptors DEC
- MECHANICAL PROPERTIES; VARIATIONS