The Discontinuous Galerkin Method for the Multiscale Modeling of Dynamics of Crystalline Solids

Abstract

We present a multiscale model for numerical simulation of dynamics of crystalline solids. The method couples nonlinear elastodynamics as the continuum description and molecular dynamics as another component at the atomic scale. The governing equations on the macroscale are solved by the discontinuous Galerkin method, which is built up with an appropriate local curl-free space to produce coherent displacement field. The constitutive data are based on the underlying atomistic model: it is either calibrated prior to the computation or obtained from molecular dynamics as the computation proceeds. The decision to use either the former or the latter is made locally for each cell based on suitable criteria.

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Document Details

Document Type
Technical Report
Publication Date
Aug 26, 2007
Accession Number
ADA472151

Entities

People

  • Chi-Wang Shu
  • Wei Wang
  • Xiantao Li

Organizations

  • Brown University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Computational Science
  • Computations
  • Crystal Structure
  • Differential Equations
  • Dynamics
  • Elastic Properties
  • Elastic Waves
  • Equations
  • Galerkin Method
  • Mathematics
  • Mechanical Properties
  • Mechanics
  • Molecular Dynamics
  • Multiscale Modeling
  • Simulations
  • Three Dimensional
  • Two Dimensional

Fields of Study

  • Physics

Readers

  • Computational Fluid Dynamics (CFD)
  • Materials Science and Engineering.

Technology Areas

  • Space