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Molecular dynamics computer simulation of scratch resistance testing of polymer...
Brostow, Witold; Deshpande, Sameer; Hilbig, Travis; Simoes, RicardoExperimental 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 C...
Polymer indentation with mesoscopic molecular dynamics
Rocha, Javier R.; Yang, Kevin Z.; Hilbig, Travis; Brostow, Witold; Simões, RicardoIndentation tests are used to determine the hardness of a material, e.g., Rockwell, Vickers, or Knoop. The indentation process is empirically observed in the laboratory during these tests; the mechanics of indentation is insufficiently understood. We have performed first molecular dynamics computer simulations of indentation resistance of polymers with a chain structure similar to that of high density polyethyl...
Simulating scratch behavior of polymers with mesoscopic molecular dynamics
Hilbig, Travis; Brostow, Witold; Simões, RicardoPart replacement and repair is needed in structures with moving parts because of scratchability and wear. In spite of some accumulation of experimental evidence, scratch resistance is still not well understood. We have applied molecular dynamics to study scratch resistance of amorphous polymeric materials through computer simulations. As a first approach, a coarse grain model was created for high density polyet...
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