Shock Induced α‐ε Phase Change in Iron: Analysis of MD Simulations and Experiment

Multimillion atom non‐equilibrium molecular dynamics simulations for shock compressed iron are analyzed using Fourier methods to determine the long scale ordering of the crystal. By analyzing the location of the maxima in k‐space we can determine the crystal structure and compression due to the shock. This report presents results from a 19.6GPa simulated shock in single crystal iron and compare them to recent experimental results of shock compressed iron where the crystal structure was determined using in‐situ wide angle x‐ray diffraction.