MD Simulation of Dislocation Behavior in KCl under Uniaxial Compression

MD simulations of dislocation behavior in KCl under uniaxial compression are carried out to investigate the elastoplastic transition under shock compression. The dislocations moved along to 45 degrees to the uniaxialy compressed direction due to the displacement of atomic lines. This result is consistent with the Von‐Mises hypothesis. Simulation results also showed that the stacking faults appeared under the uniaxial compression along the 〈111〉 axis direction, and the stress at which dislocations started to move was much larger than ones along the 〈100〉 and 〈110〉 axis directions. These results are qualitatively consistent with the experimental ones that the Hugoniot‐elastic limit (HEL) along the 〈111〉 axis direction was much larger than the others.