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A Molecular Dynamics Study of the Mechanical Properties of Ionic Copolymers During Tension-Recovery Deformation



Details

  • Personal Author:
  • Description:
    Polymer electrolytes have attracted ever-increasing attention in the field of energy storage and conversion due to their significantly improved safety features and processability compared with liquid electrolytes and inorganic solid electrolytes. The mechanical integrity of ionic copolymers is one of the most important properties that need to be considered in the development of polymer electrolytes. In this study, the uniaxial tension-recovery studies are conducted in single-ion diblock copolymers via coarse-grained molecular dynamics simulation, where the fraction of the charged block is varied to form spherical, cylindrical, and lamellar morphologies. It is found that the dynamic hysteresis loss and permanent displacement have strong dependence on the fraction of the charged block and charge ratio. The change in the radius of gyration greatly varies for the different morphology. Furthermore, the charged copolymers are subjected to more changes in bond orientation during tension and also preserve more changes at recovery. It is likely that the charged monomers and counterions contribute to the stronger crosslinking effect in charged copolymers, reducing chain slippage and hysteresis loss. [Description provided by NIOSH]
  • Subjects:
  • Keywords:
  • ISSN:
    1022-1344
  • Document Type:
    Text
  • Funding:
    Grant
  • Genre:
    Journal Article
  • Place as Subject:
  • CIO:
    National Institute for Occupational Safety and Health (NIOSH)
  • Topic:
    Workplace Safety & Health
  • Location:
    North America
  • Volume:
    30
  • Issue:
    2
  • NIOSHTIC Number:
    nn:20068185
  • Citation:
    Macromol Theory Simul 2021 Mar; 30(2):2000081
  • Contact Point Address:
    Yao Fu, Department of Aerospace Engineering and Engineering Mechanics, University of Cincinnati, Cincinnati, OH, 45221 USA
  • Email:
    yao.fu@uc.edu
  • Federal Fiscal Year:
    2021
  • Performing Organization:
    University of Cincinnati
  • Peer Reviewed:
    True
  • Start Date:
    20050701
  • Source Full Name:
    Macromolecular Theory and Simulations
  • End Date:
    20260630
  • Collection(s):
  • Main Document Checksum:
    urn:sha-512:90e3629a072155247c0b7f392441b56e7f66c58f4ffb9d9e1c9e1fc09a6960e4d96c27d169c07b6dc3d3a80977c83f9fb76c94286ef35e24cc21355ca59c12cc
  • Download URL:
  • File Type:
    Filetype[PDF - 1.59 MB ]
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