| 二元液体中动力学不均匀性与脆性的关系(英文) |
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| 引用本文： | 王海霞,王丽娜,牛犇,陈东明,孙民华.二元液体中动力学不均匀性与脆性的关系(英文)[J].低温物理学报,2010(3). |
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| 作者姓名： | 王海霞 王丽娜 牛犇 陈东明 孙民华 |
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| 作者单位： | 哈尔滨师范大学物理与电子工程学院; |
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| 基金项目： | 黑龙江省自然科学基金(批准号:qc06c042)资助的课题 |
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| 摘 要： | 过冷液体和玻璃有着复杂的结构和动力学性质.目前我们对他的研究是很不够的.当液体的温度远低于它的熔点时,它呈现非指数的驰豫行为.大量的实验和分子动力学模拟的研究表明这种非指数的驰豫行为是由动力学不均匀性引起的.计算机模拟已经提供了一些过冷液体的动力学不均匀性的相关信息.而Agell认为,液体可以粘度随温度的变化分为强,弱液体两种.脆性表示的是随着玻璃态的接近液体性质(如黏度)的改变速度.在这篇文章中我们通过模拟了三种不同二元Lennard-Jones液体,计算了它们的非高斯参数,脆性系数等一些参数,研究动了力学不均匀性和脆性的关系.得出了系统的脆性系数越小他的结构就越稳定,动力学不均匀性就越强的结论.
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| 关 键 词： | 分子动力学模拟 玻璃转变 动力学不均匀性 |
THE RELATIONSHIP BETWEEN DYNAMIC HETEROGENEITY AND FRAGILITY IN BINARY LENARD-JONES LIQUID |
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| WANG Hai-xia WANG Li-na NIU Ben CHEN Dong-ming SUN Min-hua Heilongjiang Key laboratory for advanced functional materials , excited state process,school of physics , electronic engineering,Harbin normal university,Harbin.THE RELATIONSHIP BETWEEN DYNAMIC HETEROGENEITY AND FRAGILITY IN BINARY LENARD-JONES LIQUID[J].Chinese Journal of Low Temperature Physics,2010(3). |
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| Authors: | WANG Hai-xia WANG Li-na NIU Ben CHEN Dong-ming SUN Min-hua Heilongjiang Key laboratory for advanced functional materials excited state process school of physics electronic engineering Harbin normal university Harbin |
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| Institution: | WANG Hai-xia WANG Li-na NIU Ben CHEN Dong-ming SUN Min-hua Heilongjiang Key laboratory for advanced functional materials and excited state process,school of physics and electronic engineering,Harbin normal university,Harbin,150025 |
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| Abstract: | We simulate the glass formation of three types of binary Lenard-Jones system by molecular dynamics for detecting the correlation between dynamic heterogeneity and fragility.Some parameters,such as the non-Gaussian, mean square displacement and fragility index are calculated.We find that the system with smaller fragility has more dynamic heterogeneity. |
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| Keywords: | molecular dynamics(MD) simulation glass transition dynamical heterogeneity |
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