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Predicting metal plasticity with quantum-accurate crystal modeling
A Lawrence Livermore National Laboratory (LLNL) team recently described a new approach to developing models of crystal plasticity by calibrating their models against high-fidelity molecular dynamics (MD) simulations. To illustrate their approach, they focus on body-centered cubic (BCC) single crystal tantalum (Ta) which was modeled with a quantum-accurate interatomic potential.
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