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Numerical method for the simulation of the Brownian dynamics of rod-like microstructures with three-dimensional nonlinear beam elements

  • Technical University of Munich

Research output: Contribution to journalArticlepeer-review

36 Scopus citations

Abstract

In several fast-growing research areas such as material science, macromolecular chemistry, bioengineering and biophysics, the dynamics of rod-like microstructures such as polymers, rod-like viruses, flagella of bacteria or thin glass fibers plays a crucial role. These microstructures are typically embedded into some viscous fluid and kept by stochastic thermal forces in an incessant motion, the so-called Brownian dynamics. In this article, we introduce a novel approach wherein three-dimensional finite beam elements can be employed for the computer simulation of the Brownian dynamics of rod-like microstructures. This new approach is superior to state-of-the-art methods by its transparent theoretical foundation and its remarkable efficiency. By means of numerical examples, we demonstrate the applicability of this approach to problems of biophysics and macromolecular chemistry.

Original languageEnglish
Pages (from-to)955-987
Number of pages33
JournalInternational Journal for Numerical Methods in Engineering
Volume90
Issue number8
DOIs
StatePublished - 25 May 2012

Keywords

  • Brownian dynamics
  • Finite element
  • Polymer
  • Thermal bath
  • Three-dimensional beam

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