摘要
采用分子动力学方法和F S多体势函数 ,模拟研究纳米铜团簇常温下能量特征及其在升温直到熔化过程中的变化 ,确定了常温下纳米铜团簇的表面原子厚度和表面能 ,给出在不同温度下纳米铜团簇能量大小分布比例和能量的概率密度 。
Molecular dynamic method and Finnis Sinclair potential are used to study the energy characteristic of copper nanoclusters at room temperature and its changes during heating, by which we get the surface thickness and surface energy in different cluster sizes at room temperature and get the probability density of, energy distribution of the copper nanoclusters at different temperatures. The difference of the energy characteristic during heating between the inner atoms and the surface atoms is given in detail.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2005年第1期89-95,共7页
Acta Physica Sinica
基金
国家自然科学基金(批准号 :10 172 0 88)
中国科学院知识创新工程重要方向(批准号 :KJCX2_SW_L2)资助的课题~~
