Molecular Dynamics Simulations of the Effect of Carbon Concentration on Silicon Carbide Crystal Growth

Molecular Dynamics Simulations of the Effect of Carbon Concentration on Silicon Carbide Crystal Growth
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碳浓度对碳化硅晶体生长影响的分子动力学模拟

DOI:
10.4028/www.scientific.net/amm.423-426.597
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发表时间:
2013-09
期刊:
Applied Mechanics and Materials
影响因子:
--
通讯作者:
Lang Zhou
Lang Zhou
中科院分区:
其他
文献类型:
--
作者:
Naigen Zhou;Tao Hong;Ke Li;Lang Zhou

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采用分子动力学模拟方法研究了2900 K下碳浓度对熔体中SiC晶体生长的影响。用MEAM势计算了原子间相互作用力。原子层密度分析表明,在1%~ 70%的范围内,随着碳浓度的增加,SiC晶体生长速率在碳浓度小于45%时先增加,当碳浓度大于50%时又降低。缺陷原子的数量表明,SiC晶体的生长速率与C浓度在增加和减少过程中均呈指数关系。
The effect of carbon concentration on SiC crystal growth from melt at 2900 K has been investigated by molecular dynamics simulations. The inter-atomic forces are calculated by MEAM potential. Atomic layer density showed that, with the carbon concentration increasing in the range of 1%-70%, the SiC crystal growth rate increased first as the c concentration less than 45%, and then decreased as the c concentration more than 50%. The number of defected atoms showed that the SiC crystal growth rate had exponent relation to the C concentration both during increasing and decreasing process.
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