温度对液态重金属Pb结构变化的影响  

Effect of Temperature on the Structure of Liquid Pb

作　　者：边秀房[1] 李辉[1] 张景祥[2] 李玉忱[1] 

机构地区：[1]山东工业大学材料学院,济南250061 [2]济南联合大学,济南250002

出　　处：《无机化学学报》2000年第1期47-52,共6页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金资助项目 !(No.59671046)

摘　　要：利用分子动力学模拟技术 ,详细考察了在不同温度下液态金属Pb的结构特点。结果发现液态金属Pb的有序度随温度降低不断增强 ;液态金属Pb中存在着不同类型的原子集团 ,原子集团是以不同类型的键对存在的。利用键对分析技术 ,计算出不同温度下的键对类型数和二十面体的两类键趋向序参数 ,从微观上分析了液体与固体的结构相关性。说明了液态金属在不同温度下有不同的结构形式 ,而不象人们想象得那样杂乱无章。By means of molecular dynamics simulation technique, the structural characteristic of liquid metal Pb at different temperatures is investigated. It is found that the order degree of liquid Pb increases as temperature decreases. There are various clusters in liquid Pb and they are made up of kinds of bonded pairs. By use of pair analysis technology, the relative number of bonded pairs and the bond orientation order parameter are calculated. The relativity between the liquid and solid is discussed. It is demonstrated that the structure of liquid Pb is depended on the temperature and does not stay in a random state as people think of.

关 键 词：液态金属 分子动力学 结构变化 铅 

分 类 号：O614.433[理学—无机化学] O562.1[理学—化学]