摘要
基于密度泛函理论,系统研究了贵金属首饰材料AuAl_(2)中微量元素掺杂对其结构稳定性和力学性质的影响,采用Viogt-Reuss-Hill近似计算了材料的体积模量、剪切模量、杨氏模量、泊松比、维氏硬度和弹性各向异性,同时与Au的力学性能计算相对比.计算结果表明:In、Y、Sc、Ge、Si、Ga、Sn元素的添加有利于AuAl_(2)合金韧性改善.研究结果对改善AuAl_(2)合金的韧性具有较大理论意义和实用价值.
Based on the Density Functional Theory,the effects of trace element-doping on the structural stability and mechanical properties of AuAl_(2) are systematically studied.The bulk modulus,shear modulus,Young’s modulus,Poisson’s ratio,Vickers hardness and elastic anisotropy of AuAl_(2) are approximately calculated by using the Viogt-Reuss-Hill and compared with the mechanical properties of Au.The results show that the additions of In,Y,Sc,Ge,Si,Ga and Sn have benefit of improving the toughness of AuAl_(2) alloy,which have great theoretical significance and practical value for improving the toughness of AuAl_(2) alloy.
作者
卢锦康
王心雨
浦蕊
周建祝
张大伟
于杰
LU Jinkang;WANG Xinyu;PU Rui;ZHOU Jianzhu;ZHANG Dawei;YU Jie(Faculty of Materials Science and Engineering,Kunming University of Science and Technology,Kunming 650093,China)
出处
《昆明理工大学学报（自然科学版）》
北大核心
2021年第6期17-23,共7页
Journal of Kunming University of Science and Technology(Natural Science)
基金
国家自然科学基金项目(5216010171)
昆明理工大学人才培养项目(KKZ3201751043)。
