Theoretical study of the defect evolution for molecular crystal under shock loading

Y Long and J Chen, JOURNAL OF APPLIED PHYSICS, 125, 065107 (2019).

DOI: 10.1063/1.5067284

We simulate the shock loading process of beta- octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine by molecular dynamics and calculate the isoentropic curve, Hugoniot curve, temperature field, velocity field, stress field, and density field. Based on the simulation results, we develop a physical model to describe the pore collapse, crack expansion, and hot spot formation mechanisms and calculate a set of key parameters, such as pore collapsing speed, rarefaction wave speed, and crack expansion speed. A microscopic physical picture for defect evolution at the early time of shock loading is obtained. Published under license by AIP Publishing.

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