Dynamic phase transformation of crystalline silicon under the dry and wet impact studied by molecular dynamics simulation
Dynamic phase transformation of crystalline silicon under the dry and wet impact studied by molecular dynamics simulation
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DOI：
10.1063/1.3490757
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发表时间：
2010-10
影响因子：
3.2
通讯作者：
Ruling Chen;Jianbin Luo;D. Guo;H. Lei
中科院分区：
文献类型：
--
作者：
Ruling Chen;Jianbin Luo;D. Guo;H. Lei
采用分子动力学模拟方法定量分析了干、湿冲击下晶体硅的动态相变过程。在冲击加载阶段，四重硅原子与五重或三重硅原子之间的相变仅受局部压力的影响。局部温度或接触面积对相变的影响从冲击卸载阶段开始显现。四重原子与五重或三重原子之间的相变动力学过程将分阶段服从玻尔兹曼分布律。冲击加载阶段和冲击卸载阶段的五重原子数和四重原子数的变化基本相同。此外，在撞击过程中形成的五重或三重原子的动态停留时间将为约250 fs。这些原子的半衰期约为50 fs。
Molecular dynamics simulation is applied in analyzing quantitatively the dynamic phase transformation of crystalline silicon under the dry and wet impact, respectively. At the impact loading stage, the phase transformation between fourfold silicon atoms and fivefold or threefold silicon atoms is affected only by the local pressure. The influence of the local temperature or the contact area on the phase transformation will emerge from the impact unloading stage. And the dynamic process of phase transformation between fourfold atoms and fivefold or threefold atoms will obey the Boltzmann distribution law by stages. The variance of the number of fivefold or fourfold atoms at impact loading stage is almost the same as the impact unloading stage. Furthermore, the dynamic residence time of fivefold or threefold atoms formed during the impact process will be about 250 fs. The half-life of these atoms is about 50 fs.