Molecular dynamics computer simulation of scratch resistance testing of polymers: visualization
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Author(s)
Brostow, Witold
Hilbig, Travis
Simoes, Ricardo
Deshpande, Sameer K.
Date Issued
February 2013
Journal
Polymer Bulletin
Publisher
Springer-Verlag
Citation
Brostow, Witold et al. “Molecular Dynamics Computer Simulation of Scratch Resistance Testing of Polymers: Visualization.” Polymer Bulletin 70.4 (2013): 1457–1464.
Version
Author's final manuscript
Abstract
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.
MIT Department
Massachusetts Institute of Technology. Department of Mathematics
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1007/s00289-013-0949-5
