CrCoNi合金晶格畸变预测模型构建与硬度高通量表征  

Construction of a Prediction Model for Lattice Distortion and High-Throughput Characterization of Hardness of CrCoNi Alloy

作　　者：姜璐 尚根峰 夏成辉 刘微 JIANG Lu;SHANG Genfeng;XIA Chenghui;LIU Wei(Materials Genome Institute,Shanghai University,Shanghai 200444,China;School of Materials Science and Engineering,Shanghai University,Shanghai 200444,China)

机构地区：[1]上海大学材料基因组工程研究院,上海200444 [2]上海大学材料科学与工程学院,上海200444

出　　处：《上海金属》2025年第2期95-102,共8页Shanghai Metals

基　　金：国家自然科学基金(51801119);上海大学高效能计算中心和上海智能计算系统工程技术研究中心项目(19DZ2252600)。

摘　　要：基于第一性原理计算和CALPHAD方法构建了FCC结构CrCoNi合金晶格畸变预测模型及数据库,实现了该合金全成分范围的晶格畸变定量化预测。同时,利用纳米压痕试验和“田”字形扩散多元节技术对CrCoNi合金FCC单相区硬度进行高通量表征,并与显微硬度测试结果进行比较。此外,分析了晶格畸变和层错能对CrCoNi合金硬度的影响。A model used to predict lattice distortion and database for the CrCoNi alloy with FCC structure have been constructed based on the first-principles calculation and the CALPHAD method,and the quantitative prediction of lattice distortion throughout the entire range of composition for the alloy was achieved.Meanwhile,the hardness in the FCC single-phase region of CrCoNi alloy was high-throughput characterizedby using nanoindentation test and the Tian-shaped diffusion multiples technique,and was compared with the microhardness measurements results.Moreover,the effects of lattice distortion and stacking fault energy on the hardness of CrCoNi alloy were analyzed.

关 键 词：CrCoNi 合金 晶格畸变 硬度 高通量表征 第一性原理计算 CALPHAD 

分 类 号：TG113.2[金属学及工艺—物理冶金]