不同温度下10kev Si PKA致4H-Sic晶体材料初辐射损伤的分子动力学模拟与分析

Liu Shuangying, Yixian Guo, L. Long, F. Aamir, Liu Shuhuan, Wenlong Liao, Huang Taiyi, Li Zhuoqi, Zhang Jun, Yuelei Wu
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引用次数: 0

摘要

基于分子动力学方法和模拟工具包LAMMPS,模拟分析了不同温度条件下10keV Si PKA在特定入射方向下诱导的4H-SiC晶体材料中PKA轨迹的分布特征和不同种类的点缺陷。对比分析了在一定温度(300K)条件下,各点缺陷数量随时间变化的机理。PKA轨迹和温度变化下稳定阶段点缺陷空间分布的模拟与分析。本文的研究结果为进一步探索4H-SiC辐射位移损伤缺陷的形成机理、通过位移损伤预测4H-SiC基体材料的热力学性能以及4H-SiC器件/探测器的电学特性提供了重要依据。
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Molecular Dynamics Simulation and Analysis the Primary Radiation Damage of 4H-Sic Crystal Material Induced by 10kev Si PKA Under Different Temperature
Based on the molecular dynamics method and the simulation toolkit LAMMPS, the distribution characteristics of PKA tracks and the different kinds of point defects in 4H-SiC crystal material induced by 10keV Si PKA with specific incident direction under different temperature conditions were simulated analyzed in this paper. The mechanism of the counts of the various point defects changed with time under a certain temperature (300K) condition is compared and analyzed. Simulation and analysis of the spatial distribution of point defects in the stable stage with PKA track and temperature changes. The results of this paper provide an important basis for further exploring the formation mechanism of 4H-SiC radiation displacement damage defects, predicting the thermodynamic properties of 4H-SiC matrix materials by displacement damage, and the electrical characteristics of 4H-SiC devices/detectors.
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