Large-scale molecular dynamics simulations of shock induced plasticity in tantalum single crystals
نویسندگان
چکیده
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.
منابع مشابه
Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations
R. Ravelo,1,2,* T. C. Germann,3,† O. Guerrero,4,‡ Q. An,5,§ and B. L. Holian3,‖ 1Physics Department and Materials Research Institute, University of Texas, El Paso, Texas 79968-0515, USA 2X-Computational Physics Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA 3Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA 4Physics Department, ...
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