| He与C60的碰撞及He@C60形成的计算机模拟研究 |
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| 引用本文： | 王泽辉,朱靖,潘正瑛,李之杰. He与C60的碰撞及He@C60形成的计算机模拟研究[J]. 科技导报(北京), 2009, 27(3) |
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| 作者姓名： | 王泽辉 朱靖 潘正瑛 李之杰 |
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| 作者单位： | 内蒙古民族大学物理与电子信息学院,内蒙古通辽,028043;普渡大学化学系,印第安纳州,47907,美国;复旦大学现代物理研究所,上海,200433 |
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| 基金项目： | 内蒙古自治区高等学校科学研究项目 |
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| 摘 要： | 采用分子动力学方法,利用Brenner势和库仑作用势描述原子间的相互作用,模拟研究了He原子和C60分子碰撞以及生成He内生C60(即He＠C60)的物理过程.通过改变He原子入射动能及C60不同位置入射的方法,得到He＠C60形成的能量阈值.分析了He原子的入射动能对C60的能量传递.结果与实验符合较好.
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| 关 键 词： | 分子动力学模拟 内生C60 能量阈值 |
Computer Simulation of He and C60 Collisions and the Formation of He@C60 |
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| WANG Zehui,ZHU Jing,PAN Zhengying,LI Zhijie . College of Physics , Electronics , Information,Inner Mongolia University for Nationalities,Tongliao ,Inner Mongolia Autonomous Region,China. Computer Simulation of He and C60 Collisions and the Formation of He@C60[J]. Science & Technology Review, 2009, 27(3) |
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| Authors: | WANG Zehui ZHU Jing PAN Zhengying LI Zhijie . College of Physics Electronics Information Inner Mongolia University for Nationalities Tongliao Inner Mongolia Autonomous Region China |
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| Affiliation: | WANG Zehui1,ZHU Jing2,PAN Zhengying3,LI Zhijie1 1. College of Physics , Electronics , Information,Inner Mongolia University for Nationalities,Tongliao 028043,Inner Mongolia Autonomous Region,China 2. Department of Chemistry,Purdue University,West Lafayette,Indiana 47907,USA 3. Institute of Modern Physics,Fudan University,Shanghai 200433,China |
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| Abstract: | Using the molecular dynamics method, describing the interaction between atoms with Brenner potential and Coulomb potential, the physical process of the collision between He and C60 and the formation of the He@C60 are simulated. By changing the incident energy of the He-Ein and the incident position of the C60, the energy threshold of the He@C60 is obtained. The analysis results of the energy transfer from the incident energy of the He to C60 agree with experimental data. |
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| Keywords: | molecular dynamics simulation endogenous C60 energy threshold |
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