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arXiv 2403.13481cond-mat.soft
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磁性凝胶微观结构转变与宏观力学性质的分子动力学模拟

Molecular Dynamics Simulations of Microscopic Structural Transition and Macroscopic Mechanical Properties of Magnetic Gels

Xuefeng Wei, Gaspard Junot, Ramin Golestanian, Xin Zhou, Yanting Wang, Pietro Tierno, Fanlong Meng

AI总结:

本研究利用粗粒化分子动力学模拟探讨了磁性凝胶在外部磁场下的微观结构转变与宏观力学增强机制,发现颗粒动力学受偶极相互作用、弹性与热涨落共同调控,且弹性模量随磁矩呈代数增长,为磁性复合材料的设计与控制提供了理论工具。

摘要:

在交联聚合物网络中嵌入微/纳米级磁性颗粒的磁性凝胶可由外部磁场驱动,从而改变其内部微观结构与宏观力学性质。我们通过粗粒化分子动力学模拟研究了此类磁性凝胶对外部磁场的响应。我们发现,磁性颗粒的动力学由磁偶极-偶极相互作用、聚合物弹性与热涨落之间的相互竞争所决定。由磁性颗粒形成的相应微观结构(如伸长链)可由外部磁场控制。此外,磁性凝胶可表现出增强的宏观力学性质,当形成磁链时,其弹性模量随颗粒磁矩呈代数增长,形式为 $\propto(m-m_{\mathrm{c}})^{2}$。这项模拟工作不仅可作为研究磁性凝胶微观与宏观响应的工具,还能促进未来具有预期物理性质的磁性复合材料的制备与实际控制。

英文摘要:

Magnetic gels with embedded micro/nano-sized magnetic particles in crosslinked polymer networks can be actuated by external magnetic fields, with changes in their internal microscopic structures and macroscopic mechanical properties. We investigate the responses of such magnetic gels to an external magnetic field, by means of coarse-grained molecular dynamics simulations. We find that the dynamics of magnetic particles are determined by the interplay of between magnetic dipole-dipole interactions, polymer elasticity and thermal fluctuations. The corresponding microscopic structures formed by the magnetic particles such as elongated chains can be controlled by the external magnetic field. Furthermore, the magnetic gels can exhibit reinforced macroscopic mechanical properties, where the elastic modulus increases algebraically with the magnetic moments of the particles in the form of $\propto(m-m_{\mathrm{c}})^{2}$ when magnetic chains are formed. This simulation work can not only serve as a tool for studying the microscopic and the macroscopic responses of the magnetic gels, but also facilitate future fabrications and practical controls of magnetic composites with desired physical properties.

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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