Related papers: On activation in solid ionic electrolytes
A comprehensive multi-electronic-state model for OH + HO2 -> O2 + H2O has been developed through extensive multi-reference configuration interaction (MRCI) calculations, aiming to elucidate two key experimental observations: (1) an…
Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all based on simplistic semi-empirical models, are unreliable…
We calculate the temperature dependent conductivity of graphene in the presence of randomly distributed Coulomb impurity charges arising from the temperature dependent screening of the Coulomb disorder without any phonons. The purely…
Thermal runaway instability induced by material softening due to shear heating represents a potential mechanism for mechanical failure of viscoelastic solids. In this work we present a model based on a continuum formulation of a…
We develop a theory of thermal transport of weakly interacting electrons in quantum wires. Unlike higher-dimensional systems, a one-dimensional electron gas requires three-particle collisions for energy relaxation. The fastest relaxation is…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
A major mystery of glass-forming liquids is the non-Arrhenius temperature-dependence of the average relaxation time. This paper briefly reviews the classical phenomenological models for this phenomenon - the free-volume model and the…
The ionization energy theory is used to calculate the evolution of the resistivity and specific heat curves with respect to different doping elements in the recently discovered superconducting Pnictide materials. Subsequently, the…
Ionic liquids (ILs) gain much interest as possible electrolytes in the next generation of mixed-solid Li-ion batteries. However, such properties of ionic liquids as melting transition, diffusion, strength and structure of hydrogen bond…
Linear gyro-kinetic stability calculations predict unstable toroidal Ion Temperature Gradient modes with normalised poloidal wave vectors well above one ($k_\theta \rho_i > 1$) for standard parameters and with adiabatic electrons. These…
We examine the temperature dependence of the optical sum rule in the normal state due to interactions. To be concrete we adopt a weak coupling approach which uses an electron-boson exchange model to describe inelastic scattering of the…
In this article the one-dimensional, overdamped motion of a classical particle is considered, which is coupled to a thermal bath and is drifting in a quenched disorder potential. The mobility of the particle is examined as a function of…
Thermodiffusion in aqueous electrolyte solutions exhibits complex dependencies on temperature, concentration, and salt composition, yet its microscopic origins remain incompletely understood. Here, we employ non-equilibrium molecular…
A new method to determine electron correlation energy is described. This method is based on a better representation of the potential due to interacting electrons that is obtained by specifying both the average and standard deviation. The…
Radiative-conductive systems are intrinsically nonlinear due to the quartic temperature dependence of thermal radiation. Under fixed total heating power, convexity arguments imply that nonuniform temperature distributions radiate more…
Polymer electrolytes typically exhibit diminished ionic conductivity due to the presence of correlation effects between the cations and anions. Microscopically, transient ionic aggregates, e.g. {\it ion-pairs}, {\it ion-triplets} or higher…
Fission-track annealing models aim to extrapolate laboratory annealing kinetics to the geological timescale for application to geological studies. Model trends empirically capture the mechanisms of track length reduction. To facilitate the…
We demonstrate that an extended picture of kinetic constraints in glass-forming liquids is sufficient to explain dynamic anomalies observed in dense suspensions of strongly attracting colloidal particles. We augment a simple model of…
Crystalline materials at elevated temperatures and pressures can exhibit properties more reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials having a liquid-like conductivity {\sigma} are…
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…