Pressure-transmitting boundary conditions for molecular-dynamics simulations

Computational Materials Science - Tập 24 - Trang 421-429 - 2002
Carsten Schäfer1, Herbert M. Urbassek1, Leonid V. Zhigilei2, Barbara J. Garrison3
1Fachbereich Physik, Universität Kaiserslautern, Erwin-Schrödinger-Straße, D-67663 Kaiserslautern, Germany
2Department of Materials Science and Engineering University of Virginia Charlottesville, VA 22903 USA
3Department of Chemistry, 152 Davey Laboratory, Pennsylvania State University, University Park, PA 16802, USA

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