Multimillion-atom nanoindentation simulation of crystalline silicon carbide: Orientation dependence and anisotropic pileup
Multimillion-atom nanoindentation simulation of crystalline silicon carbide: Orientation dependence and anisotropic pileup
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DOI：
10.1063/1.2781324
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发表时间：
2007-09
影响因子：
3.2
通讯作者：
Hsiu-Pin Chen;R. Kalia;A. Nakano;P. Vashishta;I. Szlufarska
中科院分区：
文献类型：
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作者：
Hsiu-Pin Chen;R. Kalia;A. Nakano;P. Vashishta;I. Szlufarska
我们采用多原子分子动力学方法模拟了立方碳化硅（3C-SiC）表面在（110）、（001）和（111）三个晶向上的纳米压痕过程。载荷-位移（P-h）曲线显示了加载过程中的主要和次要弹出事件。对（110）压痕的详细分析表明，P-h曲线上的第一次小的不连续与位错的形核有关，而随后的主要载荷下降则与位错环的扩展和滑移面的变化所引起的能量耗散有关。位错线的运动在缩进的膜涉及一个扭结机制，以及相互排斥的滑移集肖克莱部分位错与相关的扩展层错在位错环的扩展。我们的模拟提供了一个定量的洞察力的应力分布上的滑移面和应力集中在扭结…
We have performed multimillion-atom molecular dynamics simulations of nanoindentation on cubic silicon carbide (3C-SiC) surfaces corresponding to three different crystallographic directions, (110), (001), and (111), using pyramidal-shaped Vickers indenter with 90° edge angle. Load-displacement (P-h) curves show major and minor pop-in events during loading. Detailed analysis of the (110) indentation shows that the first minor discontinuity in the P-h curve is related to the nucleation of dislocations, whereas the subsequent major load drops are related to the dissipation of accumulated energy by expansion of dislocation loops and changes of slip planes. Motion of dislocation lines in the indented films involves a kink mechanism as well as mutually repelling glide-set Shockley partial dislocations with associated extension of stacking faults during the expansion of dislocation loops. Our simulations provide a quantitative insight into the stress distribution on slip planes and stress concentration at kinks ...