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基于第一性原理的金属导热性能研究
崔洋, 李寿航, 应韬, 鲍华, 曾小勤

Research on the Thermal Conductivity of Metals Based on First Principles
CUI Yang, LI Shouhang, YING Tao, BAO Hua, ZENG Xiaoqin
表2 Al、Mg和Zn的晶体结构与点阵常数
Table 2 Crystal structures and lattice constants (a0 and c0) of Al, Mg, and Zn
PhaseSpacegroupLattice constant / nmUnit cell volume / 103 nm3
CalculatedRef.[25]CalculatedRef.[25]
a0c0a0c0
AlFmˉ3m40.4-40.4-16.4716.47
MgP63/mmc32.152.231.852.246.6245.63
ZnP63/mmc25.744.326.746.325.4228.65