| 分子动力学模拟玻璃态聚碳酸酯对运动变形的分子响应 |
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| 引用本文： | 王丽莉,胡文军.分子动力学模拟玻璃态聚碳酸酯对运动变形的分子响应[J].胶体与聚合物,2009,27(4):17-19. |
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| 作者姓名： | 王丽莉 胡文军 |
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| 作者单位： | 1. 中国工程物理研究院计算机应用研究所,四川绵阳,621900
2. 中国工程物理研究院总体工程研究所,四川绵阳,621900 |
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| 摘 要： | 本文用分子动力学方法对聚碳酸酯非晶结构在运动压缩下的变形进行计算机模拟,通过分析聚碳酸酯在单轴压力下的网络结构,以及分子链二面角分布随压力的变化,获得聚碳酸酯对运动变形的分子响应。研究发现聚合物材料在塑性流引发下膨胀,证明了压力感应活性的出现。
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| 关 键 词： | 聚碳酸酯 应力-应变 分子响应 计算机模拟 |
Molecular dynamics simulation molecular response of amorphous polycarbonate to active ceformation |
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| Wang Lili,Hu Wenjun.Molecular dynamics simulation molecular response of amorphous polycarbonate to active ceformation[J].Chinese Journal of Colloid and Polymer,2009,27(4):17-19. |
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| Authors: | Wang Lili Hu Wenjun |
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| Affiliation: | Wang Lili Hu Wenjun (1 Computer Application Institute of CAZP ;2 Structure Mechanics Institute ofCAEP Sichuan Mianyang 521900) |
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| Abstract: | The plastic deformation of amorphous glassy bis-phenol-A-polycarbonate （BPA-PC）within the stress strain response of the system was studied based on force field method and molecular dynamics simulations. The molecular response of a glassy polymer to active deformation was investigated via analysis of net structures and dihedral angel distribution of BPA-PC. The results indicated that the glassy polymer were expand by the stress induct and clearly demonstrate the appearance of stress-induced mobility. |
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| Keywords: | Bis-phenol-A-polycarbonate Plastic behavior Molecular response Computational Simulation |
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