中国科学院研究生院学报2012，Vol.29Issue(5)：599-604,6.
固体材料导热系数的分子动力学模拟
Molecular dynamic simulation study on thermal transport coefficients of solid materials
摘要
Abstract
NEMD and EMD simulations were performed to calculate thermal conductivities of solid materials. We used 12/6 L-J potential model for nonmetallic material argon and ME AM potential model for metal materials tungsten. Simulation results show that the thermal conductivities of nonmetal material argon are in good agreement with experimental results but the thermal conductivities of tungsten are 1 -2 orders smaller than experimental results. Incorporation of free electron effect can lead to accurate thermal conductivity of tungsten.关键词
导热系数/分子动力学/尺寸效应/温度依赖性Key words
thermal conductivity/ molecular dynamics(MD) / size effect/ temperature dependence分类
能源科技引用本文复制引用
王增辉,赵凯璇,倪明玖..固体材料导热系数的分子动力学模拟[J].中国科学院研究生院学报,2012,29(5):599-604,6.基金项目
国家科技部973项目(2009GB104001),国家自然科学基金面上项目(51176201)资助 （2009GB104001）
