摘要
采用分子动力学模拟方法研究了六边形锯齿型Graphene团簇的熔化性质.依据Lindemann指数曲线的变化趋势得出六边形锯齿型Graphene团簇的熔化温度为5000K～5500K左右,且小尺寸的Graphene团簇熔化温度比大尺寸的Graphene团簇熔化温度高.Graphene团簇通常是不平整的,随着模拟温度的增加,Graphene团簇在边缘先出现C键的断裂并从边缘处开始熔化.
Molecular dynamics simulations have been used to study the dynamic changes during melting of zigzag Graphene clusters. Using the Lindemann parameter, we found that the melting temperature of zigzag Graphene clusters is around 5000～5500K. The results reveal that the melting temperature depends on the diameter of the Graphene cluster, smaller praphene clusters have higher melting temperatures. Melting of a Graphene cluster always starts from its edges.
出处
《湘潭大学自然科学学报》
CAS
CSCD
北大核心
2008年第1期43-46,共4页
Natural Science Journal of Xiangtan University
基金
国家自然科学基金项目(10774127)
湖南省教育厅重点项目(05A005)资助
