摘要
基于固体与分子经验电子理论,计算了MnS及固溶稀土元素的(Mn,RE)S的相空间价电子结构及与合金相硬度和塑性有关的价电子结构参数,即最强键上的共价电子对数和晶格电子密度。用价电子结构参数nA和ρTL分析讨论了稀土元素使MnS抗变形能力增大的微观本质原因,发现稀土元素溶入后减小了MnS的晶格电子密度,增大了相邻密排面间最强共价键的结合能力,增大了滑移的难度,进而使MnS的抗变形能力增强,并发现随着MnS中固溶稀土量的增多,MnS的抗变形能力逐渐增强。
The phase space valence electron structures of MnS and （Mn,RE）S were calculated based on the Empirical Electron Theory of Solid and Molecules. The hardness of MnS was analyzed with the valence electron pairs on the strongest bond. The plastic property of MnS was analyzed with the density of the crystal lattice electrons in the structure unit. The results show that when the rare-earth is melt in, the density of the crystal lattice electrons of MnS is decreased, the binding ability of the strongest covalent bond on the close-packed plane and the resistance of the slippage are enhanced, as a consequence the anti-deformability of MnS is enhanced. Another conclusion is that with increasing solid solubility of the rare-earth, the anti-deformability of MnS is enhanced gradually.
出处
《稀有金属》
EI
CAS
CSCD
北大核心
2006年第2期185-188,共4页
Chinese Journal of Rare Metals
基金
辽宁省教育厅项目(202163348)
辽宁省自然科学基金项目(20031083)联合资助
关键词
MNS
抗变形能力
价电子结构
稀土
MnS
rare-earth
non-deformability
valence electron structure
