Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization
Author(s)Brostow, Witold; Hilbig, Travis; Simoes, Ricardo; Deshpande, Sameer K.
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Experimental scratch resistance testing provides two numbers: the penetration depth Rp and the healing depth Rh. 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 6NX 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.
DepartmentMassachusetts Institute of Technology. Department of Mathematics
Brostow, Witold et al. “Molecular Dynamics Computer Simulation of Scratch Resistance Testing of Polymers: Visualization.” Polymer Bulletin 70.4 (2013): 1457–1464.
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