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Motion, relaxation dynamics, and diffusion processes in two-dimensional colloidal crystals confined between walls

机译:限制在壁之间的二维胶体晶体中的运动,弛豫动力学和扩散过程

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摘要

The dynamical behavior of single-component two-dimensional colloidal crystals confined in a slit geometrynis studied by Langevin dynamics simulation of a simple model. The colloids are modeled as pointlike particles,ninteracting with the repulsive part of the Lennard-Jones potential, and the fluid molecules in the colloidalnsuspension are not explicitly considered. Considering a crystalline strip of triangular lattice structure with n = 30nrows, the (one-dimensional) walls confining the strip are chosen as two rigidly fixed crystalline rows at eachnside, commensurate with the lattice structure and, thus, stabilizing long-range order. The case when the spacingnbetween the walls is incommensurate with the ideal triangular lattice is also studied, where (due to a transitionnin the number of rows, n → n − 1) the confined crystal is incommensurate with the confining boundaries, andna soliton staircase forms along the walls. It is shown that mean-square displacements (MSDs) of particles as anfunction of time show an overshoot and then saturate at a horizontal plateau in the commensurate case, the valuenof the plateau being largest in the center of the strip. Conversely, when solitons are present, MSDs are largestnin the rows containing the solitons, and all MSDs do not settle down at well-defined plateaus in the directionnparallel to the boundaries, due to the lack of positional long-range order in ideal two-dimensional crystals. ThenMSDs of the solitons (which can be treated like quasiparticles at very low temperature) have also been studiednand their dynamics are found to be about an order of magnitude slower than that of the colloidal particlesnthemselves. Finally, transport of individual colloidal particles by diffusion processes is studied: both standardnvacancy-interstitial pair formation and cooperative ring rotation processes are identified. These processes requirenthermal activation, with activation energies of the order of 10Tm (Tm being the melting temperature of the crystal),nwhile the motions due to long-wavelength phonons decrease only linearly in temperature.
机译:通过简单模型的Langevin动力学模拟研究了限制在狭缝几何形状中的单组分二维胶体晶体的动力学行为。胶体被建模为点状颗粒,与Lennard-Jones势的排斥部分相互作用,并且没有明确考虑胶体悬浮液中的流体分子。考虑到n = 30行的三角形晶格结构的晶体条,将约束该条的(一维)壁选择为两侧的两个刚性固定的晶体行,与晶格结构相对应,因此稳定了长程有序。还研究了当墙壁之间的间距与理想的三角形晶格不相称时的情况,其中(由于行数的过渡,n→n-1),受限晶体与受限边界不相称,并且孤子阶梯沿着墙壁。结果表明,随着时间的变化,颗粒的均方位移(MSD)显示出超调,然后在相应的水平平台上达到饱和,平台的值在条带中心最大。相反,当存在孤子时,MSD在包含孤子的行中最大,并且由于缺少理想二维的位置长距离顺序,因此所有MSD都不会在平行于边界的方向上落在明确定义的高原上晶体。然后,还研究了孤子的MSD(可以在非常低的温度下像准粒子一样处理),发现它们的动力学比胶体颗粒中间的动力学慢大约一个数量级。最后,研究了通过扩散过程传输单个胶体颗粒的过程:确定了标准空位-间隙对的形成以及协同环旋转的过程。这些过程需要热活化,活化能约为10Tm(Tm是晶体的熔化温度),而长波长声子引起的运动在温度上仅线性降低。

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  • 来源
    《PHYSICAL REVIEW E》 |2012年第5期|1-14|共14页
  • 作者单位

    Institut f¨ur Physik Johannes Gutenberg Universit¨at Mainz Staudinger Weg 7 55099 Mainz Germany;

    Institut f¨ur Physik Johannes Gutenberg Universit¨at Mainz Staudinger Weg 7 55099 Mainz Germany;

    RMIT University School of Applied Sciences Melbourne Victoria 3001 Australia;

    Institut f¨ur Physik Johannes Gutenberg Universit¨at Mainz Staudinger Weg 7 55099 Mainz Germany;

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