Molecular dynamic studies on materials under laser shocks

Godwal, B. K. ; Verma, A. K. ; Jeanloz, R. (2009) Molecular dynamic studies on materials under laser shocks Phase Transitions, 82 (2). pp. 167-190. ISSN 0141-1594

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Molecular dynamic (MD) simulations offer a powerful means of understanding the microscopic characteristics of shock-propagation through solids and fluids, especially for the short spatial and temporal scales relevant to laser-driven shocks. First-principles molecular dynamics can be directly compared with time-resolved experimental measurements, and methods based on empirical (embedded-atom) potentials fitted to first-principles quantum-mechanical calculations are effective for MD simulations of shock propagation through many millions of atoms. In comparison, thermodynamic approaches based on free-energy considerations do not provide detailed information about mechanical-relaxation or phase-transformation processes within the shock front. We illustrate these ideas by way of embedded-atom simulations of shock-wave propagation through copper crystals of different orientation.

Item Type:Article
Source:Copyright of this article belongs to Taylor and Francis Ltd.
Keywords:Phase Transition; Molecular Dynamics; Shock; Hugoniot
ID Code:11807
Deposited On:13 Nov 2010 13:52
Last Modified:02 Jun 2011 08:36

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