| Influence of the Fluctuation on the Property of the Interface in Molecular Dynamics Simulation |
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| 引用本文： | CAI Zhi-yong,ZENG Dan-ling,LIU Juan-fang. Influence of the Fluctuation on the Property of the Interface in Molecular Dynamics Simulation[J]. 保鲜与加工, 2007, 0(1): 54-57 |
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| 作者姓名： | CAI Zhi-yong ZENG Dan-ling LIU Juan-fang |
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| 作者单位： | College of Power Engineering, Chongqing University, Chongqing 400030, China |
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| 摘 要： | The paper advances a new calculation method improved by using(2~5)/1.2rm rule which concerns the influence of the fluctuation of molecules on the results of molecular dynamics simulation of the interface.The densities of saturated vapor and liquid of homogeneous phase and the surface tension of inhomogeneous phase of CH4 are obtained by applying this new calculation method.Compared with the traditional molecular dynamics simulation,this method has less error in calculating the surface tension of inhomogeneous phase and takes less calculating time.
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| 关 键 词： | the fluctuation phenomenon interface the inhomogeneous phase molecular dynamics simulation |
| 修稿时间： | 2006-08-01 |
Influence of the Fluctuation on the Property of the Interface in Molecular Dynamics Simulation |
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| CAI Zhi-yong,ZENG Dan-ling,LIU Juan-fang. Influence of the Fluctuation on the Property of the Interface in Molecular Dynamics Simulation[J]. Storage & Process, 2007, 0(1): 54-57 |
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| Authors: | CAI Zhi-yong ZENG Dan-ling LIU Juan-fang |
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| Affiliation: | College of Power Engineering, Chongqing University, Chongqing 400030, China |
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| Abstract: | The paper advances a new calculation method improved by using(2~5)/1.2rm rule which concerns the influence of the fluctuation of molecules on the results of molecular dynamics simulation of the interface.The densities of saturated vapor and liquid of homogeneous phase and the surface tension of inhomogeneous phase of CH4 are obtained by applying this new calculation method.Compared with the traditional molecular dynamics simulation,this method has less error in calculating the surface tension of inhomogeneous phase and takes less calculating time. |
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| Keywords: | the fluctuation phenomenon interface the inhomogeneous phase molecular dynamics simulation |
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