计算材料学在钢铁材料研究中的应用  

Application of computational materials science in research of iron and steel

作　　者：周少兰 李忠盛[1] 丛大龙[1] 杨九州 李立 冉旭东 陈汉宾[1] ZHOU Shaolan;LI Zhongsheng;CONG Dalong;YANG Jiuzhou;LI Li;RAN Xudong;CHEN Hanbin(Southwest Technology and Engineering Research Institute,Chongqing 400039,China)

机构地区：[1]西南技术工程研究所,重庆400039

出　　处：《兵器装备工程学报》2022年第8期55-61,共7页Journal of Ordnance Equipment Engineering

摘　　要：传统的材料研究是一门试验科学,随着计算机技术的飞速发展,理论计算模拟成为和试验研究相并行的科研方法,其中计算材料学成为材料领域重要研究手段。钢铁材料作为国民经济建设中产量最大的材料,具有不可替代的作用,对计算材料学主要内容及方法进行了分析,概述了第一性原理、相场法在钢铁材料的微观结构、第二相及相变等方面的应用,并对计算材料学运用于钢铁材料的研究进行了展望。Traditional materials research is an experimental science,with the rapid development of computer technology,theoretical computational simulation has become a parallel scientific research method with experimental research,in which computational materials science has become an important research tool in the field of materials.As one of the most productive materials in the national economic construction,steel materials have irreplaceable role.This paper introduced the main contents and methods of computational materials science,summarized the application of the first principle,phase field method in the microstructure of steel materials,second phase and phase change,and looked forward to the study of the application of computational materials to steel materials.

关 键 词：计算材料学 钢铁材料 第一性原理 相场法 

分 类 号：TJ04[兵器科学与技术—兵器发射理论与技术]