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Molecular dynamics study of mechanical properties of HMX–PS interface

Zhimin Cao Chenhui Xu Caiwei Xiao Wei Liu Jiaohu Huang Wenjun Zong Junjie Zhang Tao Sun

*Corresponding author: Junjie Zhang zhjj505@gmail.com


The interface between explosive crystal and binder polymer plays a critical role in the stabilities of energetic materials. In the present work, we investigate the mechanical properties of cyclotetramethylenetetranitramine (HMX)–polystyrene (PS) interface by performing molecular dynamics simulations of uniaxial tension, nanoindentation and nanoscratching tests. Our simulation results indicate that the HMX–PS interface has a mediate strength between HMX of high strength and PS of low strength. In particular for nanoindentation and nanoscratching, the distance of indentation position or scratching position to the HMX–PS interface has a strong influence on mechanical deformation behavior of HMX–PS system. Specifically, the HMX–PS interface has the lowest indentation force and scratching force than both the HMX and the PS.

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