Stress-Strain Response Of Rock-Forming Minerals By Molecular Dynamics Simulation

Yong Seok Seo, Yasuaki Ichikawa, Katsuyuki Kawamura

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


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 languageEnglish
Pages (from-to)13-20
Number of pages8
JournalZairyo/Journal of the Society of Materials Science, Japan
Publication statusPublished - 1999
Externally publishedYes


  • (NPT)-and (NVT)-ensembles
  • 2-body interatomic potential
  • Elastic compliance
  • Elastic stiffness
  • Molecular dynamics

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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