【摘 要】
：
Based on the empirical electronic theory of solids and molecules (EET),the actual model for unit cell of cementite (θ-Fe3C) was built and the valence electron
【机 构】
：
Department of Physics, Wuhan University of Science and Technology, Wuhan 430065, China;Hubei Provinc
论文部分内容阅读
Based on the empirical electronic theory of solids and molecules (EET),the actual model for unit cell of cementite (θ-Fe3C) was built and the valence electron structures (VES) of cementite with specified site and a number of Fe atoms substituted by alloying atoms ofM (M=Cr,V,W,Mo,Mn) were computed by statistical method.By defining P as the stability factor,the stability of alloyed cementite with different numbers and sites of Fe atoms substituted by M was calculated.Calculation results show that the density of lattice electrons,the symmetry of distribution of covalent electron pairs and bond energy have huge influence on the stability of alloyed cementite.It is more stable as M substitutes for Fe2 than for Fe1.The alloyed cementite is the most stable when Cr,Mo,W and V substitute for 2 atoms of Fe2 at the sites of Nos.2 and 3 (or No.6 and No.7).The stability of alloyed cementite decreases gradually as being substitutional doped by W,Cr,V,Mo and Mn.
其他文献
This work presents a fuzzy based methodology for distribution system feeder reconfiguration considering DSTATCOM with an objective of minimizing real power loss
从课堂教学的角度分析了课堂教学行为与课堂教学效果的因果关系,剖析了有效教学行为,总结了实施有效教学策略行为,渗进了课题组及多名老师的教学经验总结.
近几年来,山东玲珑集团以项目建设为龙头,品牌、管理为两翼,把技术创新作为企业发展的动力引擎,全力打造了科技领先、管理精细、品牌知名、产业集群和市场国际化五大竞争优势
电影《女王》的扮演者Helen Mirren表示,她最棒的一次性经历发生在60多岁;歌手Florence Henderson表示,她80岁时还在炮友的帮助下获得了最棒的性体验;美国的著名主持人Suzann
《义务教育英语课程标准》提出了中学英语教学应“尽量采用任务型的教学途径”的要求。小组合作学习是任务型教学活动开展的重要途径。根据任务型的教学途径,结合实际情况,通
俗话说——“不要做见食就逮的傻鸟”.它的本意是指有些鸟儿寻觅食物时,不管不顾,看见食物就啄,于是常常误入人设置的陷阱.把这句话送给学生,提醒他们面对矛盾型作文题目时,
假如你想问，我的奇思妙想是什么，那你就凑过耳朵来听听吧!我想发明一个高科技的黑板擦和一本神奇的“作文机”。 我发明的黑板擦的外形和普通黑板擦的外形没什么两样儿，但是，它们的功能可有很大的不同。普通黑板擦擦完黑板后，就会粘上粉笔灰，然后粉笔灰会在教室的各个角落“散步”，很不友善地“亲吻”我们，弄得老师、同学一脸的滑稽相。有了我这个高科技的黑板擦，就不用为这些事情烦恼了。只要你擦完黑板，它就可以在两
我国西北农村地区的农户厕所,存在建设不规范、环境不卫生以及数量不足等突出问题,造成对农民身体健康、生活环境等诸多的不良影响。本文着重提出,应高度重视贫困地区农户厕
《数学课程标准》强调,要重视初中学生的生活体验,并把数学教学与学生生活实际紧密联系起来,从而让学生真正感受数学源于生活,实践数学用于生活,理解数学高于生活,最终更加热
The electronic structure and optical properties of VO2 and Au-VO2 were studied using density functional theory.The calculation results show that the interaction