纳米团簇碰撞合并过程的分子动力学模拟  

Molecular Dynamics Simulation Study on the Collision Merge Processes Between Two Nano-Clusters

作　　者：吴甜甜[1] 高虹[2] 刘琢艺 余峰[1] 许荩[1] 钟军[1] WU Tiantian;GAO Hong;LIU Zhuoyi;YU Feng;XU Jin;ZHONG Jun(Nuclear Power Institute of China,Chengdu 610005;School of Power Engineering,Chongqing University,Chongqing 400044)

机构地区：[1]中国核动力研究设计院,成都610005 [2]重庆大学动力工程学院,重庆400044

出　　处：《材料导报》2017年第A02期443-448,共6页Materials Reports

摘　　要：一直以来,金属纳米材料有着非常重要的应用价值且受到广泛关注,金属团簇碰撞合并过程的研究成果对认清团簇的沉积和纳米金属膜及块体材料的形成有重要的意义。采用Johnson的嵌入原子势(Embeded atom method,EAM)模型并结合分子动力学模拟方法,模拟金原子团簇在不同的碰撞平动速度作用下的碰撞合并过程,仅给弹团簇一定大小的碰撞动能,迫使两个团簇产生相对速度并发生相互碰撞合并,研究在不同的碰撞平动速度下和不同的团簇大小下对团簇碰撞合并过程产生的影响及对碰撞合并之后新团簇的性质产生的影响。在进行模拟碰撞之前,先对团簇进行了"退火"处理,只模拟了同等尺度大小的两个金原子团簇之间的碰撞合并过程。As we all known,the research on atom cluster is not only helpful for us to know some characteristics and rules among the microscopic structure,but also helpful for us to know more about nanophase materials.Moreover,because that metallic nanophase materials have vital applying value and have received widespread attention.The research result on the collision merge processess of metallic clusters is important for us to understand the deposition of clusters and how metallic films and monolithic mate-rials come into being.Johnson embedded-atom method and the molecular dynamics simulation(MD)will be applied to this experiment.We focus only on the collision merge processes between two gold clusters in different collision velocity.In general,different collision velocity is given to the projectile cluster,so the two gold clusters have to make a collision with each other.What we do care about is the principle of collision merge of clusters under different velocities and sizes.Clusters are annealed before the experiment.Only collision between two equal gold clusters is investigated.

关 键 词：金原子团簇 碰撞合并 分子动力学模拟 

分 类 号：TB115[理学—数学]