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Coarse-Grained Molecular Dynamics: Dissipation due to Internal Modes

Published online by Cambridge University Press:  17 March 2011

Robert E. Rudd
Robert E. Rudd*
Affiliation:
Lawrence Livermore National Laboratory Condensed Matter Physics Division, L-045 Livermore, CA 94551, USA
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Abstract

We describe progress on the issue of pathological elastic wave reflection in atomistic and multiscale simulation. First we briefly r eview Coarse-Grained Molecular Dynamics (CGMD). Originally CGMD was formulated as a Hamiltonian system in which energy is conserved. This formulation is useful for many applications, but recently CGMD has been extended to include generalized Langevin forces. Here we describe how Langevin dynamics arise naturally in CGMD, and we examine the implication for elastic wave scattering.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 701: Symposium T – Statistical Mechanical Modeling in Materials Research , 2001 , T10.2.1
Copyright
Copyright © Materials Research Society 2002

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References

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