1. Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization.
- Author
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Brostow, Witold, Deshpande, Sameer, Hilbig, Travis, and Simoes, Ricardo
- Subjects
- *
POLYMER testing , *MOLECULAR dynamics , *POLYMERIZATION , *MOMENTUM (Mechanics) , *COMPUTER simulation - Abstract
Experimental scratch resistance testing provides two numbers: the penetration depth R and the healing depth R. In molecular dynamics computer simulations, we create a material consisting of N statistical chain segments by polymerization; a reinforcing phase can be included. Then we simulate the movement of an indenter and response of the segments during X time steps. Each segment at each time step has three Cartesian coordinates of position and three of momentum. We describe methods of visualization of results based on a record of 6 NX coordinates. We obtain a continuous dependence on time t of positions of each of the segments on the path of the indenter. Scratch resistance at a given location can be connected to spatial structures of individual polymeric chains. [ABSTRACT FROM AUTHOR]
- Published
- 2013
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