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arXiv 1608.08280cond-mat.softcond-mat.mes-hall
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约束效应对Janus二聚体性质的影响

Confinement effects on the properties of Janus dimers

José Rafael Bordin, Leandro B. Krott

摘要:

限制已被建议作为一种工具来调整纳米粒子,表面活性剂,聚合物和胶体的自组装性能。在这种方式下,我们探索的Janus纳米粒子的相图使用分子动力学模拟。纳米颗粒被建模为二聚体,由一个单体,通过标准的Lennard Jones势和另一个单体,使用两个长度尺度肩电位建模相互作用。这种特殊设计的纳米粒子在本体中表现出独特的自组装结构和水状扩散异常。我们的研究结果表明,除了在散装观察到的聚集体,新的结构下观察到的限制。此外,流体相的动力学和热力学行为也受到影响。该系统表现出可重入的流体相和密度异常。这两个特征在批量中均未观察到。我们的研究结果表明,几何约束导致新的结构,几何和动力学行为的Janus纳米粒子。

英文摘要:

Confinement has been suggested as a tool to tune the self-assembly properties of nanoparticles, surfactants, polymers and colloids. In this way, we explore the phase diagram of Janus nanoparticles using Molecular Dynamics simulations. The nanoparticle was modeled as a dimer made by one monomer that interacts by a standard Lennard Jones potential and another monomer that is modeled using a two-length scale shoulder potential. This specific design of nanoparticle exhibits in bulk distinct self-assembled structures and water-like diffusion anomaly. Our results indicate that besides the aggregates observed in bulk, new structures are observed under confinement. Also, the dynamic and thermodynamic behavior of the fluid phase are affected. The systems show a reentrant fluid phase and density anomaly. None of these two features were observed in bulk. Our results show that geometrical confinement leads to new structural, thermodynamical and dynamical behavior for this Janus nanoparticle.

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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