Author(s):
Rocha, Javier R. 
; Yang, Kevin Z. ; Hilbig, Travis ; Brostow, Witold ; Simões, Ricardo
Date: 2013
Persistent ID: http://hdl.handle.net/11110/325
Origin: CiencIPCA
Subject(s): Polymer indentation
Document details
Polymer indentation with mesoscopic molecular dynamics
Description
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. Partial financial support has been provided by the Foundation for Science and Technology (FCT), Lisbon,through Grant Nos. PEst-C/CTM/LA0025/2013 and PTDC-EME-PME-108859-2008, and also by the II-VI Foundation, Bridgeville, Pennsylvania. The late Rustum Roy has taught us how to do integration of science and engineering and how to avoid even unintentional fragmentation of science.
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. Partial financial support has been provided by the Foundation for Science and Technology (FCT), Lisbon,through Grant Nos. PEst-C/CTM/LA0025/2013 and PTDC-EME-PME-108859-2008, and also by the II-VI Foundation, Bridgeville, Pennsylvania. The late Rustum Roy has taught us how to do integration of science and engineering and how to avoid even unintentional fragmentation of science.
Document Type
Article
Language English
Language English
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