剪切场下Janus粒子的团簇重构化与组装动力学
详细信息 查看官网全文
- 英文论文题名：Janus Particles under Shear:Reshaped Cluster Configurations and Defined Assembling Kinetics
- 论文作者：黄子涵 ; 陈鹏宇 ; 燕立唐
- 英文论文作者：Zihan Huang ; Pengyu Chen ; Li-Tang Yan ; Key Laboratory of Advanced Materials (MOE) ; Department of Chemical Engineering ; Tsinghua University
- 年：2016
- 作者机构：清华大学化学工程系先进材料教育部重点实验室;
- 论文关键词：各向异性粒子 ; 剪切 ; 团簇重构 ; 组装动力学 ; 维里展开
- 会议召开时间：2016-08-25
- 会议录名称：中国化学会2016年软物质理论计算与模拟会议论文摘要集
- 语种：中文
- 分类号：O641.3
- 学会代码：ZGHY
- 会议名称：中国化学会2016年软物质理论计算与模拟会议
- 会议地点：中国天津
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：2
- 文件大小：183k
- 原文格式：D
- 会议级别：全国
摘要
各向异性粒子自组装是目前材料科学与软物质科学研究的前沿问题之一。通过合理设计与改变各向异性粒子的类型,可以使其自底向上组装形成众多复杂多级有序结构,因而在新型功能材料的制备与调控方面有着广阔的应用前景[1]。尽管如此,目前对于各向异性粒子自组装的研究基本局限于热力学平衡体系,组装结构多由粒子之间的热力学相互作用决定。然而,实际研究体系常常会处在非平衡状态之下。相较于平衡态体系,非平衡体系往往与外界环境有着大量的物质或能量的交换,因而时常展现出崭新的结构与物理现象[2]。但是,目前对于非平衡态下各向异性粒子自组装的报道相对较少,急需相关的理论描述与实验结果加以补充。而Janus粒子作为最基本的各向异性粒子,其平衡态下的组装结构与相应机理已经被广泛并深入地研究[3,4]。因此,用Janus粒子来探索非平衡态下各向异性粒子的组装行为是最合适的选择之一。同时,剪切场作为常见的外场之一,能够直接影响粒子的运动与传输,从而诱发独特的物理现象与响应行为。鉴于剪切场下各向异性粒子的自组装研究鲜有报道,探索Janus粒子在剪切场下的组装结构与动力学也因此展现出重要的理论研究意义与实验应用价值。因此,本文发展了基于多粒子碰撞动力学(MPCD)耦合分子动力学(MD)的计算模拟方法,并系统研究了在二维受限空间内,Janus粒子在线性剪切场下的团簇结构与组装动力学[5]。模拟结果表明,在剪切场下,Janus团簇构型会在剪切流与键结构的共同作用下发生重构,进而展现出可逆取向、手性转变等独特的动力学响应行为。同时,我们定量表征了剪切速率对离散Janus粒子组装动力学的影响,发现低剪切速率会促进团簇的形成,而高剪切速率会抑制粒子的成簇。进一步地,通过维里展开量化成簇速率对剪切速率与Janus平衡参数的依赖关系,我们推导并建立了基于各向同性粒子的Janus粒子成簇速率预报方程,从而揭示了各向异性与各向同性粒子之间可能的内在联系。该研究揭示了剪切场下Janus粒子独特的剪切响应性与组装动力学,为非平衡态下各向异性粒子组装结构的构建与调控提供了崭新的理论框架。
The self-assembly of anisotropic nanoparticles(ANPs) possesses a wide array of potential applications in various fields,ranging from nanotechnology to material science.Despite intense research of the thermodynamic self-assembly of ANPs,elucidating their nonequilibrium behaviors under confinement still remains an urgent issue.Here,by performing simulation and theoretical justification,we present for the first time a study of the shear-induced behaviors of Janus spheres(the most elementary ANPs) confined in two-dimensional space.Our results demonstrate that the collective effects of shear and bonding structures can give rise to reshaped cluster configurations,featured by the chiral transition of clusters.Scaling analysis and numerical modeling are performed to quantitatively capture the assembling kinetics of dispersed Janus spheres,thereby suggesting an exotic way to bridge the gap between anisotropic and isotropic particles.The findings highlight confinement and shearing engineering as a versatile strategy to tailor the superstructures formed by ANPs towards unique properties.
The self-assembly of anisotropic nanoparticles(ANPs) possesses a wide array of potential applications in various fields,ranging from nanotechnology to material science.Despite intense research of the thermodynamic self-assembly of ANPs,elucidating their nonequilibrium behaviors under confinement still remains an urgent issue.Here,by performing simulation and theoretical justification,we present for the first time a study of the shear-induced behaviors of Janus spheres(the most elementary ANPs) confined in two-dimensional space.Our results demonstrate that the collective effects of shear and bonding structures can give rise to reshaped cluster configurations,featured by the chiral transition of clusters.Scaling analysis and numerical modeling are performed to quantitatively capture the assembling kinetics of dispersed Janus spheres,thereby suggesting an exotic way to bridge the gap between anisotropic and isotropic particles.The findings highlight confinement and shearing engineering as a versatile strategy to tailor the superstructures formed by ANPs towards unique properties.
引文
[1]Yan,L.T.;Xie,X.M.Prog.Polym.Sci.2013,38:369.
[2]Yan,J.;Bloom,M.;Bae,S.C.;Luijten,E.;Granick,S.Nature 2012,491:578.
[3]Liu,Z;Guo,R.;Xu,G.;Huang,Z.;Yan,L.T.Nano Lett.2014,14:6910.
[4]Ma,C.;Wu,H.;Huang,Z.H.;Guo,R.H.;Hu,M.B.;Kübel,C.;Yan,L.T.;Wang,W.Angew.Chem.Int.Ed.2015,54:15699.
[5]Huang,Z.;Chen,P.;Yang,Y.;Yan,L.T.J.Phys.Chem.Lett.2016,7:1966.
[2]Yan,J.;Bloom,M.;Bae,S.C.;Luijten,E.;Granick,S.Nature 2012,491:578.
[3]Liu,Z;Guo,R.;Xu,G.;Huang,Z.;Yan,L.T.Nano Lett.2014,14:6910.
[4]Ma,C.;Wu,H.;Huang,Z.H.;Guo,R.H.;Hu,M.B.;Kübel,C.;Yan,L.T.;Wang,W.Angew.Chem.Int.Ed.2015,54:15699.
[5]Huang,Z.;Chen,P.;Yang,Y.;Yan,L.T.J.Phys.Chem.Lett.2016,7:1966.