Analysis of Atomistic/Continuum Coupling Using Meshless Methods

Abstract

In this paper, we compare three interpolation functions in a discretized continuum when used in coupled dynamic atomistic-to-continuum simulations. The focus is on assessing the ability of the discrete continuum model to capture and accurately represent transient effects, namely a travelling longitudinal wave, through both the mixed atomistic-continuum interface and the non-uniform continuum mesh beyond. We specifically examine the differences among Bubnov-Galerkin, partition of unity, and moving least squares finite element methods in the continuum part of the multiscale model. Our study shows that using partition of unity interpolation functions in the continuum produces superior results compared to the other two approaches.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2008
Accession Number
ADA505837

Entities

People

  • M. Macri
  • P. W. Chung

Organizations

  • United States Army Research Laboratory

Tags

DTIC Thesaurus Topics

  • Abstracts
  • Boundaries
  • Computational Science
  • Couplings
  • Displacement
  • Dynamics
  • Equations
  • Finite Element Analysis
  • Instructions
  • Interpolation
  • Mathematical Analysis
  • Military Research
  • Models
  • Molecular Dynamics
  • Simulations
  • Wave Functions
  • Weighting Functions

Readers

  • Computational Fluid Dynamics (CFD)
  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)