高通量自动流程集成计算与数据管理智能平台及其在合金设计中的应用

王冠杰, 李开旗, 彭力宇, 张壹铭, 周健, 孙志梅

High-Throughput Automatic Integrated Material Calculations and Data Management Intelligent Platform and the Application in Novel Alloys

WANG Guanjie, LI Kaiqi, PENG Liyu, ZHANG Yiming, ZHOU Jian, SUN Zhimei

图7 铝合金力学性能和导电性能的高通量筛选

Fig.7 High-throughput screening of mechanical properties and electrical conductivities of aluminum alloys (The dotted line represents the reference value corresponding to pure aluminum calculated by DFT) (a) bulk modulus (b) shear modulus (c) Young's modulus (d) conductivity of different alloying elements