摘要
采用非平衡分子动力学(NEMD)方法研究平均温度为400K,厚度d=2.8288~11.315nm的单晶锗薄膜法向的热导率。模拟结果表明,单晶锗薄膜热导率随薄膜厚度的增加以接近线性的规律增加,其数值明显低于同等温度下体态锗的试验值。当薄膜厚度一定时,单晶锗薄膜的热导率随温度增加变化幅度很小,与同体态锗热导率随温度的变化规律相比表现出明显的尺寸效应。
Non-equilibrium molecular dynamics(NEMD) method was used to simulate the thermal conductivity of monocrystal germanium thin films on the out-of plane.In the simulation,the thickness of the films ranged from 2.8288 to 11.315 nm and the average temperature was 400 K.The results of calculations demonstrate that the thermal conductivity of the monocrystal germanium thin film increases nearly linearly with increasing of the film thickness,which is remarkably lower than the corresponding experimental data of bulk germanium.For a given film thickness,the thermal conductivity of the nanometer thin film varies slightly with increasing of the temperature,and its size effect is significant comparing with the thermal conductivity of bulks.
出处
《稀有金属材料与工程》
SCIE
EI
CAS
CSCD
北大核心
2010年第5期853-856,共4页
Rare Metal Materials and Engineering
关键词
热导率
分子动力学
单晶锗薄膜
尺寸效应
thermal conductivity
molecular dynamics
monocrystal germanium thin films
size effect