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 language | English |
|---|---|
| Pages (from-to) | 955-987 |
| Number of pages | 33 |
| Journal | International Journal for Numerical Methods in Engineering |
| Volume | 90 |
| Issue number | 8 |
| DOIs | |
| State | Published - 25 May 2012 |
Keywords
- Brownian dynamics
- Finite element
- Polymer
- Thermal bath
- Three-dimensional beam
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