Coarse-Grained Modeling and Simulation of Magnetorheological Fluids
编号:52 访问权限:仅限参会人 更新:2023-03-14 09:33:59 浏览:376次 口头报告

报告开始:2023年06月10日 10:55(Asia/Shanghai)

报告时间:15min

所在会场:[S1] Concurrent Session 1 [S1-4] Concurrent Session 1-4

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摘要
Magnetorheological fluid (MRF) as a kind of field-responsive colloidal suspension has attracted widespread attention due to its tunable mechanical properties, in which the microstructure evolution under different magnetic fields plays an important role in these properties. However, it is an enormous challenge to exactly understand the microstructure and mechanical properties using all-atomic molecular dynamics methods owing to the huge computational cost and storage in the computer. In this work, a unique coarse-grained (CG) model of MRF is presented to study the microstructure evolution of MRF at the nanoscale. The CG potential functions of carrier liquid for MRF CG models are obtained based on the iterative Boltzmann inversion method, and the CG nonbonded interaction between the magnetic particles (MPs) is constructed via the strain energy conservation. Then, the microstructure evolutions of MRF under different magnetic fields are studied using CG molecular dynamics (CGMD). We demonstrate the existence of a carrier liquid adsorption layer on the MPs surface, and the staggered arrangement style of MPs in the chains under different magnetic fields is also revealed. The present MRF CG model has fully considered the carrier liquid molecular structure and interaction with the MPs, and the CGMD is used to solve the problem that classical molecular dynamics cannot simulate the microstructure of MRF, making the simulation results more in line with the actual situation.
关键词
Magnetorheological fluid, coarse-grained, iterative Boltzmann inversion, microstructure evolution
报告人
Penghui Zhao
Dalian University of Technology

稿件作者
Penghui Zhao Dalian University of Technology
Zexian Zhang Dalian University of Technology
Ning Ma Dalian University of Technology
Xufeng Dong Dalian University of Technology
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重要日期
  • 会议日期

    06月09日

    2023

    06月12日

    2023

  • 03月15日 2023

    摘要录用通知日期

  • 03月31日 2023

    摘要截稿日期

  • 06月12日 2023

    注册截止日期

  • 09月20日 2023

    初稿截稿日期

主办单位
Chongqing University
University of Science and Technology of China
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