Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published March 29, 2012 | Published
Book Section - Chapter Open

Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals

Abstract

We report on large-scale non-equilibrium molecular dynamics (NEMD) simulations of shock wave compression in Ta single crystals. The atomic interactions are modeled via a recently developed and optimized embedded-atom method (EAM) potential for Ta, which reproduces the equation of state up to 200 GPa. We examined the elastic-plastic transition and shock wave structure for wave propagation along the low index directions: (100), (110) and (111). Shock waves along (100) and (111) exhibit an elastic precursor followed by a plastic wave for particle velocities below 1.1 km/s for (100) and 1.4 km/s for (111). The nature of the plastic deformation along (110) is dominated by twinning for pressures above 41 GPa.

Additional Information

© 2012 American Institute of Physics. Published online 29 March 2012. Part of this work was supported by the U.S. Department of Energy under contract DE-AC52-06NA25396. The authors thank James E. Hammerberg, Davis Tonks and Sheng-Nian Luo for useful discussions and valuable comments.

Attached Files

Published - 1.3686510.pdf

Files

1.3686510.pdf
Files (492.2 kB)
Name Size Download all
md5:e9b21f81ed91d327f1864a88508b2481
492.2 kB Preview Download

Additional details

Created:
August 19, 2023
Modified:
January 13, 2024