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Feasibility of the multi-particle collision dynamics method as a simulation technique for a magnetic particle suspension
Molecular Simulation ( IF 1.9 ) Pub Date : 2019-11-19 , DOI: 10.1080/08927022.2019.1690144
Akira Satoh 1
Affiliation  

ABSTRACT We have elucidated the feasibility of the multi-particle collision dynamics (MPCD) method as a technique for the simulation of a magnetic particle suspension, by addressing the dependence of the translational and rotational Brownian motion of the magnetic particles on the parameters that characterise a MPCD simulation. A reasonable level of activation of the Brownian motion is indispensable for simulating the aggregate structures of the magnetic particles because their internal structure is strongly dependent on particle Brownian motion. In the present study, we have employed a diffuse reflection model for treating the interaction between the fluid and the magnetic particles. The diffuse reflection model gives rise to the tendency that the translational Brownian motion of the magnetic particles is more significantly activated than the rotational Brownian motion. If a scaling coefficient is introduced for modifying the interaction between the fluid and the magnetic particles, a more accurate solution may be obtained in regard to the aggregate structures of the magnetic particles. We may conclude that the MPCD method with the diffuse reflection model is a promising simulation technique for analysing the behaviour of magnetic particles in a suspension.

中文翻译:

多粒子碰撞动力学方法作为磁粒子悬浮模拟技术的可行性

摘要 我们已经阐明了多粒子碰撞动力学 (MPCD) 方法作为磁性粒子悬浮模拟技术的可行性,通过解决磁性粒子的平移和旋转布朗运动对表征磁粒子的参数的依赖性。 MPCD 模拟。布朗运动的合理激活水平对于模拟磁性颗粒的聚集结构是必不可少的,因为它们的内部结构强烈依赖于颗粒布朗运动。在本研究中,我们采用漫反射模型来处理流体和磁性颗粒之间的相互作用。漫反射模型导致磁性粒子的平移布朗运动比旋转布朗运动更显着被激活的趋势。如果引入比例系数来改变流体与磁性粒子之间的相互作用,则可以获得关于磁性粒子的聚集结构的更准确的解。我们可以得出结论,带有漫反射模型的 MPCD 方法是一种很有前途的模拟技术,用于分析悬浮液中磁性粒子的行为。
更新日期:2019-11-19
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