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A hybrid particle-continuum resolution method and its application to a homopolymer solution

  • S. Qi*
  • , H. Behringer
  • , T. Raasch
  • , F. Schmid
  • *此作品的通讯作者

科研成果: 期刊稿件文章同行评审

摘要

We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable walls as particles keeping the configuration details, and chains in the bulk region as continuous density fields. Polymers can switch resolutions on the fly, controlled by an inhomogeneous tuning function. By properly choosing the tuning function, the representation of the system can be adjusted to reach an optimal balance between physical accuracy and computational efficiency. The hybrid simulation reproduces the results of a reference particle simulation and is significantly faster (about a factor of 3.5 in our application example).

源语言英语
页(从-至)1527-1549
页数23
期刊European Physical Journal: Special Topics
225
8-9
DOI
出版状态已出版 - 1 10月 2016
已对外发布

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