纳米电极与工件中Cr团簇的相互作用研究  

Interaction between nano electrode and Cr cluster of workpiece

作　　者：陈志舜[1] 何道伟[1] 李勇[2] 王利光[1] 

机构地区：[1]江南大学理学院,无锡214122 [2]清华大学摩擦学国家重点实验室,北京100084

出　　处：《黑龙江大学自然科学学报》2012年第5期686-690,共5页Journal of Natural Science of Heilongjiang University

基　　金：国家高技术研究发展计划;863计划项目(2007AA04Z346);科技部国际合作项目(2010DFA32920-01);中央高校基础科研专项资金资助项目(JUSRP31005);江苏省自然科学基金资助项目(BK2008097)

摘　　要：在纳米电极对不锈钢工件进行超精细加工过程中,以工件中铬(Cr)原子为基构成Cr团簇,分别模拟了钨与镍纳米电极与Cr团簇间的电子透射加工过程,通过电子传导的量子计算方法,研究了电极与Cr团簇系统的能量、电子态密度、电子传输过程的隧穿。考虑到加工过程中电极的耗损使间隙发生变化,还研究了电极和Cr团簇间距离变化时对态密度和电子传输的影响。能量结果显示镍电极系统具有较高的能量,而钨电极系统的能隙比较小,但电子都具有很好的穿透性。电子态密度和电子透射结果说明钨电极与Cr团簇系统的电子态密度和电子传输都大于镍电极与Cr系统,并且具有量子传输特性。电极与Cr团簇间距改变与电子态密度和电子传输关系显示,其间距达到0.41 nm时,电子传输近乎截止,系统基本已经失去了电子透射和加工能力。A model based on interaction between nano electrode and Cr cluster of the workpiece is built, the electronic transmission processing is calculated and simulated by quantum theory. The system energy, the density of the electronic state, the electronic transmission are researched. Considering the wear and tear of the electrode, the density of state and electronic transmission, which depends on the space between the electrode and Cr cluster, is also researched. The results show that two systems possess excellent electron transmission since Nickel electrode has higher energy and Tungsten electrode has narrower energy gap, however, the density of state and electronic trans- mission of Tungsten electrode is greater than those of Nickel electrode. The result yet illustrates that the electronic transmission is cutoff, which means the systems stop the machining process when the space between the electrode and Cr cluster is greater than 0. 41 nm.

关 键 词：纳米电极 Cr团簇 电子传输 态密度 

分 类 号：TN305[电子电信—物理电子学]