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侯中怀. Simulation study of passive rod diffusion in active bath: Nonmonotonic length dependence and abnormal translation-rotation coupling[J]. Chinese Journal of Chemical Physics .
Citation: 侯中怀. Simulation study of passive rod diffusion in active bath: Nonmonotonic length dependence and abnormal translation-rotation coupling[J]. Chinese Journal of Chemical Physics .

Simulation study of passive rod diffusion in active bath: Nonmonotonic length dependence and abnormal translation-rotation coupling

  • Accepted Date: 2020-07-02
  • Diffusion of tracer particles in active bath has attracted extensive attention in recent years. So far, most studies have considered isotropic spherical tracer particles, while the diffusion of anisotropic particles has rarely been involved. Here we investigate the diffusion dynamics of a rigid rod tracer in a bath of active particles by using Langevin dynamics simulations in a two-dimensional space. Particular attention is paid to how the translation(rotation) diffusion coefficient DT (DR) change with the length of rod L and active strength Fa. In all cases, we find that rod exhibits superdiffusion behavior in a short time scale and returns to normal diffusion in the long time limit. Both DT and DR increase with Fa, but interestingly, a nonmonotonic dependence of DT (DR) with the rod length has been observed. We have also studied to the translation-rotation coupling of rod, and interestingly, we find a negative translation-rotation coupling indicating that rod diffuses more slowly in parallel direction compared to that in the perpendicular direction, a counterintuitive phenomenon that would not exist in an equilibrium counterpart system. Moreover, this anomalous (diffusion) behavior is reentrant with the increase of Fa, suggesting two competitive roles played by the active feature of bath particles.
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通讯作者: 陈斌, bchen63@163.com
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Simulation study of passive rod diffusion in active bath: Nonmonotonic length dependence and abnormal translation-rotation coupling

Abstract: Diffusion of tracer particles in active bath has attracted extensive attention in recent years. So far, most studies have considered isotropic spherical tracer particles, while the diffusion of anisotropic particles has rarely been involved. Here we investigate the diffusion dynamics of a rigid rod tracer in a bath of active particles by using Langevin dynamics simulations in a two-dimensional space. Particular attention is paid to how the translation(rotation) diffusion coefficient DT (DR) change with the length of rod L and active strength Fa. In all cases, we find that rod exhibits superdiffusion behavior in a short time scale and returns to normal diffusion in the long time limit. Both DT and DR increase with Fa, but interestingly, a nonmonotonic dependence of DT (DR) with the rod length has been observed. We have also studied to the translation-rotation coupling of rod, and interestingly, we find a negative translation-rotation coupling indicating that rod diffuses more slowly in parallel direction compared to that in the perpendicular direction, a counterintuitive phenomenon that would not exist in an equilibrium counterpart system. Moreover, this anomalous (diffusion) behavior is reentrant with the increase of Fa, suggesting two competitive roles played by the active feature of bath particles.

侯中怀. Simulation study of passive rod diffusion in active bath: Nonmonotonic length dependence and abnormal translation-rotation coupling[J]. Chinese Journal of Chemical Physics .
Citation: 侯中怀. Simulation study of passive rod diffusion in active bath: Nonmonotonic length dependence and abnormal translation-rotation coupling[J]. Chinese Journal of Chemical Physics .

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