材料科学
界面热阻
合金
导电体
密度泛函理论
铜
格子(音乐)
声子
热的
凝聚态物理
热阻
化学物理
热力学
复合材料
冶金
化学
计算化学
物理
声学
作者
Zhiyong Ling,Long Qian,Guang Cheng,Zhongqiang Zhang,Dong Sun
出处
期刊:Key Engineering Materials
日期:2013-07-01
卷期号:562-565: 1190-1195
被引量:1
标识
DOI:10.4028/www.scientific.net/kem.562-565.1190
摘要
In this paper, the thermal boundary resistance and conductive properties of Cu/Al interface are investigated by using first-principles calculations based on density functional theory (DFT) with considering the pressure influence. Based on the atomic model of Cu/Al interface the simulation results show that the lattice parameters for both Cu and Al are sensitive to pressure and density states of Cu/Al interface increase as pressure increases from 0 to 5 GPa. Although Cu and Al have the same atomic structure, the significant differences of the density of phonon states lead to the thermal resistance that exists at the Cu/Al interface. At the Cu/Al interface, Cu and Al atoms can diffuse into each other and form an alloy-like interfacial region. The change of the copper component in the alloy can considerably affect the conductive properties of Cu/Al interface.
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