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arXiv 2012.07087cond-mat.soft
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通过动力学特征表征MIPS在排斥性活性布朗粒子悬浮液中的性质

Characterization of MIPS in a suspension of repulsive Active Brownian Particles through dynamical features

Jose Martin, Raul Martinez, Lachlan C. Alexander, Angel Luis Diez, Dirk G. A. L. Aarts, Francisco Alarcon, Jorge Ramirez, Chantal Valeriani

摘要:

二维主动布朗粒子系统是指由硬盘组成,显示排除体积相互作用,通常通过分子动力学使用纯排斥势模拟。我们表明,所选择的潜在的软度起着一定的作用,在模拟的结果,重点是运动诱导相分离的出现的情况下。在没有平移扩散的纯硬球系统中,相图应该完全由它们的密度和Péclet数决定。然而,我们已经发现了两个额外的影响,我们模拟的ABP模型中的相图:相对强度的translational扩散相比,推进项和粒子的重叠。正如我们所示,第二种效应可以大大减轻,如果我们使用,而不是标准的Weeks-Chandler- Andersen势,一个更硬的,伪硬球势。此外,在确定我们的相空间的边界,我们已经尝试了不同的方法来检测MIPS,并得出结论,观察动力学特征,通过非高斯参数,是更有效的比观察结构的,通过局部密度分布函数。我们还表明,Vogel-Fulcher方程成功地再现了衰减的扩散作为密度的函数,除了非常高的密度的情况下。因此,ABP系统在这方面的表现类似于易碎玻璃。

英文摘要:

The two-dimensional Active Brownian Particles system is meant to be composed of hard disks, that show excluded volume interactions, usually simulated via molecular dynamics using pure repulsive potentials. We show that the softness of the chosen potential plays a role in the result of the simulation, focusing on the case of the emergence of Motility Induced Phase Separation. In a pure hard-sphere system with no traslational diffusion,the phase diagram should be completely determined by their density and Péclet number. However, we have found two additional effects that affect the phase diagram in the ABP model we simulate: the relative strength of the traslational diffusion compared to the propulsion term and the overlapping of the particles. As we show, the second effect can be strongly mitigated if we use, instead of the standard Weeks-Chandler- Andersen potential, a harder one, the pseudo-hard spheres potential. Moreover, in determining the boundary of our phase space, we have tried different approaches to detect MIPS and concluded that observing dynamical features, via the non-Gaussian parameter, is more efficient than observing structural ones, via the local density distribution function. We also demonstrate that the Vogel-Fulcher equation successfully reproduces the decay of the diffusion as a function of density, except for very high density cases. Thus, the ABP system behaves similarly to a fragile glass in this regard.

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