Molecular Dynamics Simulations of Hugoniot Relations for Poly[methyl methacrylate]
Final rept. 1 Oct 2010-1 Oct 2011
ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD WEAPONS AND MATERIALS RESEARCH DIRECTORATE
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Using classical molecular dynamics and the polymer-consistent force-field with charges from the condensed-phase optimized molecular potentials for atomic simulation studies force-field, we have calculated Hugoniot curves for the polymer, polymethyl methacrylate PMMA. In this study, the Hugoniot curve was calculated using the Erpenbeck method, where we studied the sensitivity of the calculation on equilibration time, system size, and chain length care. Through this study, we determined that the calculation is relatively insensitive, where short equilibration time, small system sizes, and short chain lengths can be used to obtain shock phase behavior of PMMA.
- Atomic and Molecular Physics and Spectroscopy