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arXiv 2011.00287cond-mat.soft
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自推进手性活性液滴的格子Boltzmann模拟

Lattice Boltzmann simulations of self-propelling chiral active droplets

L. N. Carenza, G. Gonnella, G. Negro

摘要:

活性物质描述了其组分被连续能量消耗(例如来自ATP)驱动而脱离平衡的材料。由于组分的可取向特性,活性悬浮液可以达到液晶有序,并且可以在理论上描述为活性液晶。它们固有的非平衡动力学导致了一系列新的惊人的效果,在大多数情况下,其特征在于与数值模拟,使用格子玻尔兹曼模型(LB)。在许多活性生物体系中,手性起着重要的作用。生物分子如DNA、肌动蛋白或微管形成螺旋结构,其在足够高的密度下并且在没有作用力的情况下倾向于自组装成扭曲的螺旋相。因此,了解手性和活性之间相互作用的结果是一个重要而及时的问题。研究3D中的手性物质液滴,我们发现了一种新的运动模式的证据,其中表面拓扑缺陷的旋转运动以扇形图案排列。由于潜在的手征性而产生的规则推进运动是一个惊人的现象,也可以用于实际应用。使用并行(MPI)实现格子玻尔兹曼模型,和可用的HPC资源,进行研究的根本重要性。我们使用了不同的HPC集群,并在这些RECAS之间。这使我们能够在不同的计算基础设施上进行缩放测试。

英文摘要:

Active matter describes materials whose constituents are driven out of equilibrium by continuous energy consumption, for instance from ATP. Due to the orientable character of the constituents, active suspensions can attain liquid crystalline order and can be theoretically described as active liquid crystals. Their inherently nonequilibrium dynamics causes a range of new striking effects, that in most cases have been characterized with numerical simulations, using lattice Boltzmann models (LB). In many active biological systems chirality plays an important role. Biomolecules such as DNA, actin, or microtubules form helical structures which, at sufficiently high density and in the absence of active forces, tend to self-assemble into twisted cholesteric phases. Understanding the outcome of the interplay between chirality and activity is therefore an important and timely question. Studying a droplet of chiral matter in 3D, we have found evidence of a new motility mode, where the rotational motion of surface topological defects, that arrange in a fan-like pattern. The resulting regular propulsive motion due to the underlying chirality is a striking phenomenon that can be also used in practical applications. The use of a parallel (MPI) implementation of lattice Boltzmann models, and available HPC resources, have been of fundamental importance in conducting the study. We have used different HPC clusters and among these RECAS. This allowed us to conduct a scaling test performed on different computational infrastructures.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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