A Method for Tractable Dynamical Studies of Single and Double Shock Compression
A new multi-scale simulation method is formulated for the study of shocked materials. The method combines molecular dynamics and the Euler equations for compressible flow. Treatment of the difficult problem of the spontaneous formation of multiple shock waves due to material instabilities is enabled with this approach. The method allows the molecular dynamics simulation of the system under dynamical shock conditions for orders of magnitude longer time periods than is possible using the popular non-equilibrium molecular dynamics (NEMD) approach. An example calculation is given for a model potential for silicon in which a computational speedup of 10{sup 5} is demonstrated. Results of these simulations are consistent with the recent experimental observation of an anomalously large elastic precursor on the nanosecond timescale.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 15007614
- Report Number(s):
- UCRL-JC-150712-REV-1; TRN: US0402234
- Resource Relation:
- Journal Volume: 706; Conference: 13th American Physical Society Topical Conference on Shock Compression of Condensed Matter, Portland, OR (US), 07/20/2003--07/25/2003; Other Information: PBD: 18 Jul 2003
- Country of Publication:
- United States
- Language:
- English
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