A Molecular Dynamics Investigation of the Structural Characteristics of Amorphous and Annealed Poly (Vinylidene Fluoride) and Vinylidene Fluoride - Trifluoroethylene Copolymers.

Abstract

Molecular dynamics (MD) computations predict that the percentage of gauche bonds for poly(vinylidene fluoride) PVDF is greater than that for the 50 mol% copolymer with trifluoroethylene, at high temperature and after annealing. PVDF is enriched in gauche conformations on cooling whereas the copolymer acquires more trans conformations. The MD results are consistent with experimental trends that have been observed for these piezoelectric polymers. jg

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Document Details

Document Type
Technical Report
Publication Date
Apr 17, 1995
Accession Number
ADA294116

Entities

People

  • George J. Kavarnos
  • Robert W. Holman

Organizations

  • Naval Undersea Warfare Center

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Computer Programs
  • Computer Simulations
  • Copolymers
  • Crystal Structure
  • Crystals
  • Dihedral Angle
  • Dynamics
  • Fluorides
  • Geometry
  • Materials
  • Molecular Dynamics
  • Molecules
  • Piezoelectric Materials
  • Piezoelectric Polymers
  • Polymers
  • Simulations
  • Undersea Warfare

Fields of Study

  • Chemistry

Readers

  • Materials Science and Engineering.
  • Quantum Chemistry

Technology Areas

  • Microelectronics