Large-scale elastic-plastic indentation simulations via nonequilibrium molecular dynamics

William G. Hoover; Anthony J. De Groot; Carol G. Hoover; Irving F. Stowers; Toshio Kawai; Brad Lee Holian; Taisuke Boku; Sigeo Ihara; J. Belak

doi:10.1103/PhysRevA.42.5844

Large-scale elastic-plastic indentation simulations via nonequilibrium molecular dynamics

William G. Hoover, Anthony J. De Groot, Carol G. Hoover, Irving F. Stowers, Toshio Kawai, Brad Lee Holian, Taisuke Boku, Sigeo Ihara, and J. Belak

Phys. Rev. A 42, 5844 – Published 1 November 1990

Abstract

Nonequilibrium indentation simulations for two-dimensional crystals composed of up to 1036 800=720×1440 atoms are described. The forces used include smoothly truncated Lennard-Jones force laws, both with and without added embedded-atom contributions typical of copper or nickel. Both low and intermediate temperatures are considered over a wide range of indentor speeds. Typical microhardness yield strengths for these two-dimensional materials, force divided by projected area, exceed 10% of the shear modulus. For the most part these simulations were carried out on the 64-transputer SPRINT computer at Livermore.

Received 14 June 1990

DOI:https://doi.org/10.1103/PhysRevA.42.5844

Authors & Affiliations

William G. Hoover

Department of Physics, Keio University, Yagami Campus, Yokohama 223, Japan
Department of Applied Science, University of California at Davis-Livermore, Livermore, California 94550

Anthony J. De Groot

Engineering Research Division, Lawrence Livermore National Laboratory, Livermore, California 94550

Carol G. Hoover

Department of Physics, Keio University, Yagami Campus, Yokohama 223, Japan
National Energy Supercomputer Center, Lawrence Livermore National Laboratory, Livermore, California 94550

Irving F. Stowers