A classical mechanics approach to the determination of the stress-strain response of particle systems

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Abstract

This paper presents the numerical implementation of a Lagrangian-based approach for the determination of the stress-strain behaviour of solids via molecular dynamics (MD). This approach is based on continuum homogenization and it offers a framework in which the notions of effective stress and effective deformation for a particle system can be said to have the same meaning that they have in a continuum context. Since the effective stress response of the system is not based on the notion of virial stress, the paper presents three MD calculations to demonstrate how the continuum-based notion of effective stress differs from that of virial stress.

Original languageEnglish (US)
Pages (from-to)741-757
Number of pages17
JournalModelling and Simulation in Materials Science and Engineering
Volume14
Issue number4
DOIs
StatePublished - Jun 1 2006

All Science Journal Classification (ASJC) codes

  • Modeling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications

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