CAJ | 학술논문

通过分子动力学方法，研究了不同冷速下贵金属Au在温度2000～300K的冷却过程中微观结构的变化特点。结果发现，冷却速度对Au的微观结构产生重要影响。采用偶关联函数和键对分析技术对原子局域团簇结构进行分析，并考察了冷却过程中原子势能随温度的变化，比较了Au的微观结构转变与能量变化的对应关系，从能量转化的角度对冷却过程中Au的结构变化进行了说明。
통과분자동역학방법，연구료불동랭속하귀금속Au재온도2000～300K적냉각과정중미관결구적변화특점。결과발현，냉각속도대Au적미관결구산생중요영향。채용우관련함수화건대분석기술대원자국역단족결구진행분석，병고찰료냉각과정중원자세능수온도적변화，비교료Au적미관결구전변여능량변화적대응관계，종능량전화적각도대냉각과정중Au적결구변화진행료설명。
Bymeans of molecular dynamics simulation technique,the solidification processes of Au under different cooling velocity has been studied.It has been concluded that the cooling velocity is critical to the structure of Au.With pair distribution function and pairsanalysis method,the local symmetry of molecular-cluster has been analyzed.The variations of potential energy with the temperature and the relationship between the energy and the structure of molecular-cluster have also been studied.From the eye of the variation of energy,the conclusion has been discussed.