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Polymer indentation with mesoscopic molecular dynamics

Published online by Cambridge University Press:  06 November 2013

Javier R. Rocha ,
Kevin Z. Yang ,
Travis Hilbig ,
Witold Brostow  and
Ricardo Simoes
Javier R. Rocha
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science and Engineering and Department of Physics, University of North Texas, Denton, Texas 76207
Kevin Z. Yang
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science and Engineering and Department of Physics, University of North Texas, Denton, Texas 76207
Travis Hilbig
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science and Engineering and Department of Physics, University of North Texas, Denton, Texas 76207
Witold Brostow*
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science and Engineering and Department of Physics, University of North Texas, Denton, Texas 76207
Ricardo Simoes
Affiliation:
School of Technology, Polytechnic Institute of Cávado and Ave, Campus do IPCA, 4750-810 Barcelos, Portugal; and Institute for Polymers and Composites - IPC/I3N, University of Minho, Campus de Azurem, 4800-058 Guimaraes, Portugal
*
a)Address all correspondence to this author. e-mail: wbrostow@yahoo.com
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Abstract

Indentation 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 polyethylene (HDPE). A coarse grain model of HDPE is used to simulate how the interconnected segments respond to an external force imposed by an indenter. Results include the time-dependent measurement of penetration depth, recovery depth, and recovery percentage, with respect to indenter force, indenter size, and indentation time parameters. The simulations provide results that are inaccessible experimentally, including continuous evolution of the pertinent tribological parameters during the entire indentation process.

Keywords

polymernanoindentationmolecular dynamics simulation
Type
Articles
Information
Journal of Materials Research , Volume 28 , Issue 21 , 14 November 2013 , pp. 3043 - 3052
Copyright
Copyright © Materials Research Society 2013 

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References

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