包含Janus哑铃和球形粒子的二维模型系统的分子动力学研究

IF 0.9 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Condensed Matter Physics Pub Date : 2021-10-09 DOI:10.5488/CMP.24.33401
L. Baran, K. Dąbrowska, W. Rżysko, S. Sokołowski
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引用次数: 0

摘要

我们对二维系统进行了广泛的恒温分子动力学研究,包括Janus哑铃和球形粒子。Janus哑铃被建模为两个球体,分别标记为1和2,通过谐波键连接在一起。选择一个Janus哑铃的球1会吸引其他Janus哑铃上的同类球,而对1-1和1-2之间的相互作用是排斥的。另一方面,球形粒子被Janus粒子的中心2吸引而被中心1排斥。我们已经证明,系统中可以形成的取向相的结构取决于Janus哑铃的键长和系统中球形粒子的数量与Janus哑铃的数量之比。球形颗粒的存在是形成取向相所必需的。在假设的模型中,体系中取向相的形成取决于球形颗粒的浓度。等量的双面粒子和球形粒子为层状相的形成创造了最佳条件。
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Molecular Dynamic study of model two-dimensional systems involving Janus dumbbells and spherical particles
We have performed an extensive constant temperature Molecular Dynamics study of two-dimensional systems involving Janus dumbbells and spherical particles. Janus dumbbells have been modelled as two spheres, labeled 1 and 2, joined together via harmonic bonds. Sphere 1 of a selected Janus dumbbell attracts the spheres of the same kind on other Janus dumbbells, while the interactions between the pairs 1-1 and 1-2 were repulsive. On the other hand, the spherical particles are attracted by centers 2 and repelled by the centers 1 of Janus particles. We have shown that the structure of oriented phases that can be formed in the system depends on the bond length of Janus dumbbells and the ratio of the number of spherical particles to the number of Janus dumbbells in the system. The presence of spherical particles is necessary to develop oriented phases. For the assumed model, the formation of oriented phases in the system depends on the concentration of spherical particles. Equal numbers of Janus and spherical particles create optimal conditions for the formation of lamellar phases.
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来源期刊
Condensed Matter Physics
Condensed Matter Physics 物理-物理:凝聚态物理
CiteScore
1.10
自引率
16.70%
发文量
17
审稿时长
1 months
期刊介绍: Condensed Matter Physics contains original and review articles in the field of statistical mechanics and thermodynamics of equilibrium and nonequilibrium processes, relativistic mechanics of interacting particle systems.The main attention is paid to physics of solid, liquid and amorphous systems, phase equilibria and phase transitions, thermal, structural, electric, magnetic and optical properties of condensed matter. Condensed Matter Physics is published quarterly.
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