Molecular dynamics simulation of the shock response of materials: A tutorial

The aim of this Tutorial is to help new researchers understand how perform molecular dynamics (MD) simulations the shock response materials and provide a brief discussion MD can important insights into issues in physics crystalline amorphous materials. Two distinct approaches for generating waves are reviewed. Non-equilibrium generate front, usually moving along one axis sample, with processes associated wave propagation monitored throughout simulation. Equilibrium characterize equilibrated state shocked material behind without explicit consideration propagation. Ultimately, using either method, by analysis techniques capable extracting thermodynamic information identifying defects, powerful mechanistic understanding that complements experiments.