摘要
为制备高性能的热界面材料,采用非平衡分子动力学方法计算了三维石墨烯–碳纳米管复合结构的热学特性,研究了复合结构的尺寸及系统温度对于整体结构热导率的影响。研究表明,复合结构z方向长度的增加和温度的升高都能使复合结构的热导率在一定程度上增加并逐渐达到一个饱和值。为进一步探究整体及局部结构中声子能量传递的情况,计算了复合整体和连接处界面两侧的声子振动态密度,结果表明,碳纳米管与石墨烯界面处形变是阻碍复合结构热导率提高的主要因素。
In order to prepare high-performance thermal interface materials,the thermal characteristics of three-dimensional graphene-carbon nanotube composite structure were calculated by non-equilibrium molecular dynamics method.The effects of the size of the composite structure and the temperature of the system on the thermal conductivity of the overall structure were investigated.The results showed that the increase of the length in the z direction and the increase of the temperature of the composite structure can increase the thermal conductivity of the composite structure to a certain extent and gradually reach a saturation value.In order to further investigate the phonon energy transfer in the whole and local structure,the phonon vibrational density at both sides of the interface between the composite whole and the joint was calculated.The results showed that the deformation at the interface between carbon nanotubes and graphene is the main factor that hindered the increase of the thermal conductivity of the composite structure.
作者
李帅
李凌
LI Shuai;LI Ling(School of Energy and Power Engineering,University of Shanghai for Science and Technology,Shanghai 200093,China)
出处
《上海理工大学学报》
CAS
CSCD
北大核心
2024年第5期533-538,共6页
Journal of University of Shanghai For Science and Technology
基金
国家自然科学基金资助项目(51476102)。
关键词
热界面材料
非平衡分子动力学
热导率
振动态密度
thermal interface materials
non-equilibrium molecular dynamics
thermal conductivity
vibrational density
