<111>轴铜纳米线能量分布特征的原子模拟研究  

Atomistic Simulation Study of The Energy Distribution of <111> Copper nanowires

作　　者：陈远铭[1] 罗有萍[1] 么小江 

机构地区：[1]赣南师范学院物理与电子信息学院 [2]赣南地质调查大队,江西赣州341000

出　　处：《赣南师范学院学报》2008年第6期24-26,共3页Journal of Gannan Teachers' College(Social Science(2))

摘　　要：采用分子动力学方法对<111>轴铜纳米线的升温和熔化过程进行了计算机模拟研究,结果表明:不同体系的原子能量分布基本一致,即波峰数相同、波峰重合,且最大概率都集中在-3.45至-3.5 eV的低能区附近;常温时,不同体系的原子平均能量与其原子数的立方根倒数成线性关系.This paper introduces a molecular dynamics method to research the temperature rising and the melting process of 〈 111 〉 copper nanowires, meanwhile using computer simulation. The results have shown that the different system has nearly the same atomic energy distribution, wave crest superposition. The Biggest Degree of Probability all centralize near the low energy region of - 3.45 - -3.5eV. In normal temperature, the average energy of atoms varies linearly with the reciprocal of cube root of the amount of atoms in different system.

关 键 词：铜纳米线 分子动力学模拟 能量分布 

分 类 号：O561.2[理学—原子与分子物理]