Solid Electrolytes: Mechanisms for Achieving Optimal Conductivity.
Abstract
In an attempt to understand mobility mechanisms, to predict optimal conduction conditions for solid electrolytes, and to develop methods for calculating conductivity in a classical many-body systems, calculations have been completed for a variety of one-, two-, and three-dimensional model lattice systems. These calculation involve Monte-Carlo simulation, self-consistent-field techniques, and reduced Langevin dynamics, and have been devoted to the actual calculation of the frequency-dependent conductivity tensor sigma omega, and of its variation with important experimental variables (concentration, pressure, temperature, trap sites, identify of mobile ion, lattice geometry). The ambition of this research has been to provide hard numerical data for three purposes: understanding and prediction of the effects of variation of external parameters (temperature, doping, compensation, ion exchange) on conductivity, comparison of good numerical data with extant formal theory to focus on the most important variables or achieving optimal conductivity, and development of a mechanistic model (including such extremes as hopping and liquid-like diffusion) to correlate the behaviors of a large number of framework conductors. Originator furnished keywords include: Solid electrolytes; batteries; ionic conductivity; conduction mechanisms; superionic conductors; diffusion in solids.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 30, 1984
- Accession Number
- ADA150116
Entities
People
- M. A. Ratner
Organizations
- Northwestern University