We also implement locally weighted least squares linear regression with the following cost function: We search for the optimal model by performing leaveone-out cross validation over all models • Solid state lithium ion batteries show great promise as high performance energy storage devices; however, designing high ionic conductivity solid electrolytes remains a challenge. • There has yet to be ...

In the present study, the effect of porosity on the cathode microstructure (50:50 wt. % LSM: YSZ) of a Solid Oxide Fuel Cell (SOFC) has been examined. A 3-D finite element method for Mixed Ionic and Electronic Conducting Cathodes (MIEC) is presented to study the effects of porosity on cell performance. Each microstructure was realized using the Monte Carlo approach with the isotropic type o...

A model is developed that describes temperature and pressure dependence of dielectric relaxation, ionic conductivity, and viscosity of glass-forming liquids near the glass transition temperature. The expressions for ionic conductivity are compared with experimental results for two polymer electrolytes. Those for dielectric relaxation are compared with data for poly(propylene oxide) and poly(vin...

Using NPT and NVT molecular dynamics simulation techniques, we have simulated an atomistic model of solvated Nafion in the lithium salt form, with the following three main objectives: (i) to obtain details on the local environment of the lithium cations and to assess the solvent effect on their binding, (ii) to investigate the translational and rotational motion of solvent molecules (water and ...

The thermal conductivity of molten NaCl and KCl was calculated through the Evans-Gillan nonequilibrium molecular dynamics (NEMD) algorithm and Green-Kubo equilibrium molecular dynamics (EMD) simulations. The EMD simulations were performed for a "binary" ionic mixture and the NEMD simulations assumed a pure system for reasons discussed in this work. The cross thermoelectric coefficient obtained ...

Since the discovery of fast ionic conductivity in glasses, there has been a large interest in explaining the diffusion mechanism. With this knowledge one may be able to design new glasses with optimized properties for various applications. It is well known that the ionic conductivity increases rapidly when a network glassformer is modified by the addition of a metal alkali. Despite considerable...