【摘要】 对于采用分子动力学方法研究导热系数的背景、研究现状及存在的问题进行了综述和分析。总结了通过分子动力学模拟方法求得导热系数的物理模型和基本算法。讨论了目前在微尺度导热问题的研究中引入分子动力学模拟方法需要考察的影响因素和几个重要问题。更多还原

【Abstract】 The background, current research status and problems of molecular dynamics (MD) study on thermal conductivity are reviewed and analyzed. The physical models and fundamental algorithms of MD simulations appropriate for thermal conductivity computations are summarized. In particular, several important influence factors and problems are discussed in consideration of introducing molecular dynamics simulation method to the realm of microscale conductive heat transfer.更多还原