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Interface Tribology Via Nonequilibrium Molecular Dynamics

Published online by Cambridge University Press:  28 February 2011

W. G. Hoover,
C. G. Hoover,
I. F. Stowers and
W.J. Siekhaus
W. G. Hoover
Affiliation:
Lawrence Livermore National Laboratory, Post Office Box 808, Livermore, CA 94550Department of Applied Science, University of California at Davis-Livermore, Post Office Box 808, Livermore, CA 94550
C. G. Hoover
Affiliation:
Lawrence Livermore National Laboratory, Post Office Box 808, Livermore, CA 94550
I. F. Stowers
Affiliation:
Lawrence Livermore National Laboratory, Post Office Box 808, Livermore, CA 94550
W.J. Siekhaus
Affiliation:
Lawrence Livermore National Laboratory, Post Office Box 808, Livermore, CA 94550
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Abstract

By borrowing ideas from control theory, Nonequilibrium Molecular Dynamics incorporates temperature, stress, and heat flux directly into atomistic, time-reversible, deterministic equations of motion. We are applying this technique to studies of surface indentation, surface cutting, friction, ablation, and condensation. Here we describe simulations of the indentation and cutting processes using two-dimensional crystals composed of a few thousand particles.

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