A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks

Journal Article · Thu May 20 00:00:00 EDT 2010 · Journal of Computational Physics

OSTI ID:21333907

E, Weinan ^[1]

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1. Department of Mathematics and Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544 (United States)

We present a multiscale model for numerical simulations of dynamics of crystalline solids. The method combines the continuum nonlinear elasto-dynamics model, which models the stress waves and physical loading conditions, and molecular dynamics model, which provides the nonlinear constitutive relation and resolves the atomic structures near local defects. The coupling of the two models is achieved based on a general framework for multiscale modeling - the heterogeneous multiscale method (HMM). We derive an explicit coupling condition at the atomistic/continuum interface. Application to the dynamics of brittle cracks under various loading conditions is presented as test examples.

• OSTI ID: 21333907
• Journal Information: Journal of Computational Physics, Journal Name: Journal of Computational Physics Journal Issue: 10 Vol. 229; ISSN JCTPAH; ISSN 0021-9991
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
COMPUTERIZED SIMULATION
CRACKS
MOLECULAR DYNAMICS METHOD
NONLINEAR PROBLEMS
SOLIDS
STRESSES