物理学报Issue(3)：217-222,6.DOI:10.7498/aps.62.036101
分子动力学模拟尺寸对纳米Cu颗粒等温晶化过程的影响
Molecular dynamics simulation of isothermal crystallization dynamics in Cu nanocluster∗
摘要
Abstract
We investigate the isothermal crystallizations of nanoparticles composed, respectively, of 4000 Cu atoms (Cu4000) and 13500 Cu atoms (Cu13500), and bulk Cu according to on embedded atom model, using molecular dynamics simulations. We note that different sizes of Cu nanoparticles display multistep crystallization at low temperature, and their crystallization time distribution is wider than at high temperature, shown by analyzing the structural and dynamic properties of isothermal crystallization. Moreover, the size of particle plays an important role in the crystallization process. The larger the size, the longer the crystallization time is. However, we find that there is a critical size rc. The crystallization time increases with particle size increasing when the size is less than rc. On the contrary, when the size is more than rc, the crystallization time decreases with particle size increasing.关键词
分子动力学模拟/纳米Cu/等温晶化/临界尺寸Key words
molecular dynamics simulation/Cu nanocluster/isothermal crystallization/critical size引用本文复制引用
陈青,孙民华..分子动力学模拟尺寸对纳米Cu颗粒等温晶化过程的影响[J].物理学报,2013,(3):217-222,6.基金项目
国家自然科学基金(批准号:61071015,61101009,61201080)、湖南省教育厅重点资助科研项目(批准号:12A001)、湖南省重点学科建设项目和湖南省高校科技创新团队支持计划资助的课题 （批准号:61071015,61101009,61201080）
