铸造技术2017，Vol.38Issue(9)：2096-2099,4.DOI:10.16410/j.issn1000-8365.2017.09.010
取向硅钢中铜硫化物析出形式的第一性原理研究
Study on First-Principles of Precipitation Form of Copper Sulfides in Grain-Oriented Silicon Steel
何寒 1刘嵩 1曹建春2
作者信息
- 1. 安阳工学院机械工程学院,河南安阳455000
- 2. 昆明理工大学材料科学与工程学院,云南昆明650093
- 折叠
摘要
Abstract
The structures and formation heats of Cu1.8S,Cu2S and CuS in grain-oriented silicon steel with Cu were calculated by the CASTEP module of Materials Studio.In addition,the precipitate phase in grain-oriented silicon steel with Cu was studied by TEM.The calculated results show that the formation heats of Cu1.8S,Cu2S and CuS are-97.759 4,-1.205 5 and-0.969 9 eV,respectively,indicating that the Cu1.8S has the most powerful forming ability.It means that copper sulfides Cu1.8S in grain-oriented silicon steel will be inclined to precipitate preferentially.The TEM results show that the precipitated phase in grain-oriented silicon steel with 0.48%Cu is cubic Cu1.8S,which is the fine particle along the grain boundaries.关键词
取向硅钢/铜硫化物/第一性原理Key words
grain-oriented silicon steel/copper sulfides/first principles分类
矿业与冶金引用本文复制引用
何寒,刘嵩,曹建春..取向硅钢中铜硫化物析出形式的第一性原理研究[J].铸造技术,2017,38(9):2096-2099,4.
