Abstract
We show a series of molecular dynamics (MD) simulation to determine material properties (i. e., the elastic moduli and the strength) of quartz, muscovite and albite under uniaxial compression and shearing. Note that these are major rock-forming minerals of granite, and are of anisotropic properties. Interatomic potentials are essentially important for the MD calculation, and we used a generalized potential function [1]. MD basic cells imposed are composed of 900 atoms for quartz, 936 atoms for albite and 1, 512 atoms for muscovite, respectively. Calculated results are agreeable compared with experimental data.
| Original language | English |
|---|---|
| Pages (from-to) | 13-20 |
| Number of pages | 8 |
| Journal | Zairyo/Journal of the Society of Materials Science, Japan |
| Volume | 48 |
| DOIs | |
| Publication status | Published - Jan 1 1999 |
| Externally published | Yes |
Keywords
- (NPT)-and (NVT)-ensembles
- 2-body interatomic potential
- Elastic compliance
- Elastic stiffness
- Molecular dynamics
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
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Cite this
Seo, Y. S., Ichikawa, Y., & Kawamura, K. (1999). Stress-Strain Response Of Rock-Forming Minerals By Molecular Dynamics Simulation. Zairyo/Journal of the Society of Materials Science, Japan, 48, 13-20. https://doi.org/10.2472/jsms.48.3Appendix_13