摘要
利用固体与分子经验电子理论，对奥氏体中含合金元素Υ—Fe晶胞的价电子结构进行了计算分析．结果表明，合金元素溶入Υ—Fe晶胞后，其价电子结构发生了较大变化，Fe原子杂化态向较高杂阶迁移，其相结构因子均有不同程度的增加．同时晶胞内形成了由强键组成的八面体结构，阻碍了原子的移动，使得Υ—Fe晶胞在相变过程中产生“类拖曳效应”，提高过冷奥氏体的稳定性，亦会延缓马氏体相变的进程．
The valence electron structure （VES） oft Fe unit-cell bearing alloy atoms was studied according to EET （the Empirical Electron Theory of Solids and Molecules）. The result showed that the VES of γ-Fe unit-cell bearing alloy atoms was remarkably different from that of γ-Fe unit-cell. The hybridization states of Fe would go up, and the VES parameters （nA, σN, ∑Nc, σN, etc.） increase in different degrees. An octahedron structure made up of stronger bonds formed in the cell, which could generate a drag-like effect in the course of phase transformation. A further investigation indicates that this octahedron structure can make the austenite more stable and delay martensitic transformation.
出处
《北京科技大学学报》
EI
CAS
CSCD
北大核心
2005年第6期675-678,共4页
Journal of University of Science and Technology Beijing
基金
国家自然科学基金(No.50271009
No.50334010)
关键词
晶胞
价电子结构
相变过程
EET理论
unit cell
valence electron structure
phase transformation
EET Theorg
