奥氏体不锈钢中MnS/γ界面的透射电子显微学与第一性原理计算研究  

Transmission electron microscopy and first principles calculation studies of MnS/γ interface in austenitic stainless steels

作　　者：王宇佳[1] 周杨韬[1] 张波[1] 马秀良[1] 

机构地区：[1]中国科学院金属研究所沈阳材料科学国家(联合)实验室,辽宁沈阳110016

出　　处：《电子显微学报》2012年第5期411-415,共5页Journal of Chinese Electron Microscopy Society

基　　金：国家重点基础研究发展计划(2009CB623705)

摘　　要：利用透射电子显微镜研究了316F奥氏体不锈钢中MnS夹杂相与钢基体(简称为γ)的界面,得出MnS与γ之间的一种取向关系为(013)MnS//(111)γ,[100]MnS//[011-]γ。利用第一性原理计算解析了这种界面的原子结构,发现当Fe原子落在MnS的[100]方向上Mn-S键的中间时,界面结构最稳定,其界面能为0.373 J.m-2。计算结果还表明当MnS与γ形成半共格界面时,MnS会产生应变以匹配γ的晶格参数。The interface between MnS inclusion and steel matrix（γ for short） in 316F austenitic stainless steel was studied by transmission electron microscopy.It was found that one type of the orientation relationship between MnS and γ is（013）MnS//（111）γ,MnS//γ.First principles calculations were performed to explore the atomic structure of this interface.The most stable atomic structure is formed when the Fe atoms locate in the middle of the Mn-S bonds along the direction of MnS,and its interface energy is 0.373 J·m-2.It was also found that strain will be induced in MnS to adapt to the lattice parameters of γ when a semi-coherent interface forms between MnS and γ.

关 键 词：奥氏体不锈钢 MNS 界面 透射电子显微学 第一性原理计算 

分 类 号：TG142.71[一般工业技术—材料科学与工程] TG115.215.3[金属学及工艺—金属材料]