论文标题
$β-CU-AL-MN $合金的机械和热力学特性沿$ Cu_3al \ to Cu_2almn $组成线
Mechanical and thermodynamical properties of $β-Cu-Al-Mn$ alloys along the $Cu_3Al \to Cu_2AlMn$ compositional line
论文作者
论文摘要
$ CU-AL-MN $合金的弹性属性沿$ CU_3AL \ to CU_2ALMN $ LINE和$ BCC $的结构进行了构图，通过第一原则计算研究。从计算出的弹性常数，齐纳的各向异性，声速和Debye温度。理论结果与可用的实验数据进行了很好的比较。振动的影响是通过准谐波Debye模型引入的，并研究了不同的特性作为温度和组成的功能。
The elastic properties of $Cu-Al-Mn$ alloys with compositions along the $Cu_3Al \to Cu_2AlMn$ line and $bcc$-based structures, are studied by means of first-principles calculations. From the calculated elastic constants, the Zener's anisotropy, sound velocities and Debye temperature are determined. The theoretical results compare well with the available experimental data. The influence of vibrations is introduced through the quasi-harmonic Debye model, and different properties are studied as functions of temperature and composition.
