Dynamical arrest in superionic crystals and supercooled liquids
Article Abstract:
The phenomenological similarities between the glass transition in fragile supercooled liquids and the superionic transition in the average crystal structure (a type-II), fluorite-structured materials are discussed. The results revealed that the similarities include non-Arrhenius temperature dependence of the transport coefficients, anomalies in the heat capacity, two-step relaxation of the time-correlation functions, and the connection between the mobility and entropy as described by the Adam-Gibbs equation.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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The energy landscape of a fluorite-structured superionic conductor
Article Abstract:
The energy landscapes of the fluorides of lead(II) and calcium is examined by minimizing the potential energy from configurations along molecular-dynamics trajectories. The results revealed inherent structures that were characterized by the number of defects they contain and the interactions of these defects, thus explaining the reasons for the clustering of it, related to the lattice's strain energy, and also discusses its implication for the mechanism of conduction.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Conductivity-viscosity-structure: Unpicking the relationship in an ionic liquid
Article Abstract:
The computer recreations of mixtures of LiF and the network glass-forming ingredient Be[F.sub.2] are performed to study the correlation between the ionic mobility, viscosity, and the atomic-scale structure. It is observed that the change between the independently diffusing ions in the diluted mixtures to strongly decoupled [Li.sup.+] migration is related to the changing local and intermediate-scale structure in the melts.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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