| 无定型玻璃态聚碳酸酯的塑性行为模拟 |
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| 引用本文： | 王丽莉,胡文军. 无定型玻璃态聚碳酸酯的塑性行为模拟[J]. 胶体与聚合物, 2009, 27(1): 36-40 |
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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
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： | 用常压分子动力学模拟和固定晶胞能量最小化计算程序,以及构型和能量分析研究了无定型玻璃态聚合物双酚—A—聚碳酸酯(BPA-PC)的塑性变形。计算结果和"势能面理论"架构吻合,此理论将塑性转换解释成"理想结构"之间的相互交叉和塌陷。本方法可以在晶胞尺度有限、高压缩比和低温下对聚合物材料进行模拟,密度、杨氏模量、屈服应变、屈服应力、激化能、激化体积都与BPA-PC的实验数据吻合。
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| 关 键 词： | 双酚—A—聚碳酸酯 塑性变形 计算机模拟 |
Simulation of the plastic behavior of amorphous glassy bis-phenol-A-polycarbonate |
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| Wang Lili,Hu Wenjun. Simulation of the plastic behavior of amorphous glassy bis-phenol-A-polycarbonate[J]. Chinese Journal of Colloid and Polymer, 2009, 27(1): 36-40 |
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| Authors: | Wang Lili Hu Wenjun |
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| Affiliation: | 1 Computer Application Institute of CAEP 2 Structure Mechanics Institute of CAEP;Mian Yang City Si Chuan Province China 621900 P.O.Box 919-1201 |
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| Abstract: | The paper studied the plastic deformation of amorphous glassy bis-phenol-A-polycarbonate (BPA-PC)based on a viable computational procedure which combines constant-stress molecular dynamics simulations and fixed-cell energy minimizations,followed by kinetic,configurational and energy analyses.It is shown that the computational results can be accounted for"potential energy landscape"theoretical frame- work,in which the plastic transition is interpreted as a crossing between and a collapse onto each other of "... |
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| Keywords: | Bis-phenol-A-polycarbonate Plastic behavior Computational Simulation |
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