Coarse-Grained Molecular Dynamics [electronic resource] : Dissipation Due to Internal Modes

Published: Washington, D.C. : United States. Dept. of Energy, 2001.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description: 9p : digital, PDF file
Additional Creators: Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information

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Summary

We describe progress on the issue of pathological elastic wave reflection in atomistic and multiscale simulation. First we briefly review 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.

Report Numbers

E 1.99:ucrl-jc-146707
ucrl-jc-146707

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Note

Published through SciTech Connect.
12/21/2001.
"ucrl-jc-146707"
2001 Materials Research Society Fall Meeting, Boston, MA, Nov 26 - Nov 30, 2001.
Rudd, R E.

Funding Information

W-7405-ENG-48

View MARC record | catkey: 13823752