Nonequilibrium simulations of model ionomers in an oscillating electric field
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
We perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understood by comparison with relevant time scales in the systems, obtained from independent calculations.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- AC04-94AL85000; contract DE-AC04-94AL85000
- OSTI ID:
- 1297914
- Alternate ID(s):
- OSTI ID: 1421263
- Report Number(s):
- SAND-2016-7059J; JCPSA6; 646520
- Journal Information:
- Journal of Chemical Physics, Vol. 145, Issue 4; ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Ion transport in polymeric ionic liquids: recent developments and open questions
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journal | January 2019 |
Influence of a nanoparticle on the structure and dynamics of model ionomer melts
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journal | January 2018 |
Impact of ion content and electric field on mechanical properties of coarse-grained ionomers
|
journal | October 2018 |
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