A modified ReaxFF force field was used to study dynamic deformation of Al nanoparticles (ANPs) and chemical evolution of RDX/Al mixtures. When small ANPs impact RDX crystal planes, the interaction between RDX and Al at the initial stage does not affect the order of shock-induced anisotropic response of RDX crystal and different thickness of alumina shell on ANPs exhibits different capacity to resist structural deformation. When Al slab with 30 wt% is coated with a 3 nm thickness of alumina, Al slab exhibits inert characteristics and provides high compression condition to enhance decomposition of RDX molecules during the initial impact stage.

修改后的ReaxFF力场用于研究Al纳米粒子（ANP）的动态变形和RDX / Al混合物的化学演化。当小的ANP撞击RDX晶体平面时，RDX和Al在初始阶段的相互作用不会影响RDX晶体的冲击诱导各向异性响应的顺序，并且ANP上不同厚度的氧化铝壳表现出不同的抵抗结构变形的能力。当以30重量％的铝板涂覆3 nm厚度的氧化铝时，铝板表现出惰性特性并提供高压缩条件，以在初始冲击阶段增强RDX分子的分解。