首页> 外文会议>MRS spring meeting >Nanoscale Thermal Property of Amorphous SiC: A Molecular Dynamics Study
【24h】

Nanoscale Thermal Property of Amorphous SiC: A Molecular Dynamics Study

机译:非晶SiC的纳米级热性能:分子动力学研究

获取原文

摘要

Thermal properties of amorphous silicon carbide (a-SiC) at nanometric scales are studied by molecular dynamics (MD) simulations based on an empirical interatomic potential. A scalable parallel MD algorithm is used for studying systems as long as 30nm. To validate the potential, phonon density of states and specific heat of a-SiC are first calculated. Size effects are studied, and errors are estimated for the temperature profile for different system sizes. Simulation time required to achieve steady temperature profiles is also determined. Finally the thermal conductivities of a-SiC at various temperatures are calculated. The results show that thermal conductivities of a-SiC at nanometric scale also agree with Slackís minimum thermal conductivity model.
机译:通过基于经验原子间电势的分子动力学(MD)模拟研究了纳米尺度上非晶碳化硅(a-SiC)的热性能。可扩展的并行MD算法用于研究长达30nm的系统。为了验证电势,首先计算a-SiC的声子密度和比热。研究了尺寸效应,并估计了不同系统尺寸的温度曲线的误差。还确定了达到稳定温度曲线所需的仿真时间。最终计算出了a-SiC在不同温度下的热导率。结果表明,纳米尺度下a-SiC的导热系数也与Slack的最小导热系数模型相吻合。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号