A Hard Constraint Algorithm to Model Particle Interactions in DNA-laden Flows
Journal Article
·
· Nanoscale and Microscale Thermophysical Engineering, vol. 11, no. 1, January 1, 2007, pp. 121-128
OSTI ID:940141
We present a new method for particle interactions in polymer models of DNA. The DNA is represented by a bead-rod polymer model and is fully-coupled to the fluid. The main objective in this work is to implement short-range forces to properly model polymer-polymer and polymer-surface interactions, specifically, rod-rod and rod-surface uncrossing. Our new method is based on a rigid constraint algorithm whereby rods elastically bounce off one another to prevent crossing, similar to our previous algorithm used to model polymer-surface interactions. We compare this model to a classical (smooth) potential which acts as a repulsive force between rods, and rods and surfaces.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 940141
- Report Number(s):
- UCRL-JRNL-223318; TRN: US0806928
- Journal Information:
- Nanoscale and Microscale Thermophysical Engineering, vol. 11, no. 1, January 1, 2007, pp. 121-128, Vol. 11, Issue 1
- Country of Publication:
- United States
- Language:
- English
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