Molecular Dynamic Simulations of Shock Waves in a Three-Dimensional Solid

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Abstract
Molecular dynamic techniques were used to simulate the motion of a one-dimensional shock wave in a three-dimensional solid. A Lennard-Jones potential was used to simulate a rare-gas solid. The pressure, volume and temperature were monitored. The pressure and volume were found to agree with dynamic calculations using the Hugoniot relations. A large temperature increase was found, probably the result of kinetic energy transfer by direct collisions with atoms in the shock-wave front. Reasonable agreement was found between the computer simulation results and static high-pressure measurements on neon. The general results establish the value of applying molecular dynamic techniques to shock-wave problems.