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活性-非活性二元混合体系玻璃化转变的模耦合理论
引用本文:冯梦凯,侯中怀.活性-非活性二元混合体系玻璃化转变的模耦合理论[J].化学物理学报,2018,31(4):584-594.
作者姓名:冯梦凯  侯中怀
作者单位:中国科学技术大学, 化学物理系, 合肥微尺度物质科学国家研究中心, 合肥 230026,中国科学技术大学, 化学物理系, 合肥微尺度物质科学国家研究中心, 合肥 230026
基金项目:This work is supported by the Ministry of Science and Technology of China (No.2016YFA0400904 and No.2013CB834606), the National Natural Science Foundation of China (No.21673212, No.21521001, No.21473165, No.21403204), and by the Fundamental Research Funds for the Central Universities (No.WK2030020028 and No.2340000074).
摘    要:Collective behaviours of active particle systems have gained great research attentions in recent years. Here we present a mode-coupling theory (MCT) framework to study the glass transition of a mixture system of active and passive Brownian particles. The starting point is an effective Smoluchowski equation, which governs the dynamics of the probability distribution function in the position phase space. With the assumption of the existence of a nonequilibrium steady state, we are able to obtain dynamic equations for the intermediate scattering functions (ISFs), wherein an irreducible memory function is introduced which in turn can be written as functions of the ISFs based on standard mode-coupling approximations. The effect of particle activity is included through an effective diffusion coefficient which can be obtained via short time simulations. By calculating the long-time limit of the ISF, the Debye-Waller (DW) factor, one can determine the critical packing fraction ηc of glass transition. We find that for active-passive (AP) mixtures with the same particle sizes, ηc increases as the partial fraction of active particle xA increases, which is in agreement with previous simulation works. For system with different active/passive particle sizes, we find an interesting reentrance behaviour of glass transition, i.e., ηc shows a non-monotonic dependence on xA. In addition, such a reentrance behaviour would disappear if the particle activity is large enough. Our results thus provide a useful theoretical scheme to study glass transition behaviour of active-passive mixture systems in a promising way.

收稿时间:2018/6/21 0:00:00

Mode-Coupling Theory for Glass Transition of Active-Passive Binary Mixture
Meng-kai Feng and Zhong-huai Hou.Mode-Coupling Theory for Glass Transition of Active-Passive Binary Mixture[J].Chinese Journal of Chemical Physics,2018,31(4):584-594.
Authors:Meng-kai Feng and Zhong-huai Hou
Institution:Department of Chemical Physics & Hefei National Laboratory for Physical Sciences at the Microscales, iChEM, University of Science and Technology of China, Hefei 230026, China and Department of Chemical Physics & Hefei National Laboratory for Physical Sciences at the Microscales, iChEM, University of Science and Technology of China, Hefei 230026, China
Abstract:
Keywords:Glass transition  Mode-coupling theory  Active particles  Active-passive particle mixture
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