Hatano Takahiro
Center for Promotion of Computational Science and Engineering, Japan Atomic Energy Research Institute, Ibaraki 319-1195, Japan.
Phys Rev Lett. 2004 Jan 9;92(1):015503. doi: 10.1103/PhysRevLett.92.015503.
Molecular dynamics simulations on a three-dimensional defective Lennard-Jones solid containing a void are performed in order to investigate detailed properties of hot spot generation. In addition to the temperature, I monitor the number of energetically colliding particles which characterizes the intensity of shock-enhanced chemistry. This quantity normalized by void volume is found to saturate for nanoscale voids and to be maximized after voids have completely collapsed. It makes an apparent comparison to the temperature which requires much larger void for the enhancement and becomes maximum during the early stage of the collapse. It is also found that the average velocity and the temperature of ejected molecules inside a cubic void are enhanced during the collapse because of the focusing of momentum and energy towards the centerline of a void.
为了研究热点产生的详细特性,对含有一个空洞的三维缺陷 Lennard-Jones 固体进行了分子动力学模拟。除了温度,我还监测了高能碰撞粒子的数量,该数量表征了冲击增强化学反应的强度。发现通过空洞体积归一化后的这个量对于纳米级空洞会饱和,并且在空洞完全坍塌后达到最大值。这与温度形成了明显对比,温度需要大得多的空洞才能增强,并且在坍塌的早期阶段达到最大值。还发现,由于动量和能量向空洞中心线的聚焦,立方空洞内喷射分子的平均速度和温度在坍塌过程中会增强。