Predicting the mechanical properties of polyethylene/Ag nanoparticle composites by molecular simulat

来源 :The 6th International Conference on Nanoscience and Technolo | 被引量 : 0次 | 上传用户：kokwok

【摘要】

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【作者】

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Shin-Pon Ju Yng-Ching Wu Hui-Lung Chen Jenn-Sen Lin Zhe-Wei Shin

【机构】

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Department of Mechanical and Electro-Mechanical Engineering,National Sun Yat-sen University,Kaohsiun

【出处】

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The 6th International Conference on Nanoscience and Technolo

【发表日期】

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2015年5期

【关键词】

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polyethylene Basin-Hopping method nanoparticle LAMMPS

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　　The simulated-annealing basin-hopping(SABH)method[1]implemented into LAMMPS[2](Large-scale Atomic/Molecular Massively Parallel Simulator)has used to constructed the stable structures of polyethylene/Ag nanoparticle(PE/AgNP)composites,which can reflect the real sample configurations in the corresponding experiments.The SABH results indicated that both PE/AgNP composite and pristine PE material exhibit isotropic amorphous structures and PE/AgNP composite display a higher density than that of pristine PE.

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Predicting the mechanical properties of polyethylene/Ag nanoparticle composites by molecular simulat

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