Related papers: Fast-ion conduction and flexibility and rigidity o…
Using classical molecular dynamics simulations, we investigate the mobility of ions in [Bmim][TFSI], a typical room temperature ionic liquid. Analyzing the trajectories of individual cations and anions, we estimate the time that ions spend…
Lithium chloride LiCl is widely used as a prototype system to study the strongly dissociated 1-1 electrolyte solution. Here, we combined experimental measurements and classical molecular dynamics simulations to study the ion conduction in…
Management of heat during charging and discharging of Li-ion batteries is critical for their safety, reliability, and performance. Understanding the thermal conductivity of the materials comprising batteries is crucial for controlling the…
Within the mode-coupling theory for the evolution of structural relaxation in glass-forming systems, it is shown that the correlation functions for density fluctuations for states at A_3- and A_4-glass-transition singularities can be…
Correlated anion and cation motion can significantly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations,…
Ionic liquid gating has become a popular tool for tuning the charge carrier densities of complex oxides. Among these the band insulator SrTiO$_3$ is one of the most extensively studied materials. While experiments have succeeded in inducing…
We provide a perspective on polymer glass formation, with an emphasis on models in which the fluid entropy and collective particle motion dominate the theoretical description and data analysis. We first discuss the dynamics of liquids in…
A mode-coupling theory for the motion of a strongly forced probe particle in a dense colloidal suspension is presented. Starting point is the Smoluchowski equation for $N$ bath and a single probe particle. The probe performs Brownian motion…
We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…
The elastic coupling between plastic events is generally invoked to interpret plastic properties and failure of amorphous soft glassy materials. We report an experiment where the emergence of a self-organized plastic flow is observed well…
We explore progress in understanding the behaviour of cation conducting glasses, within the context of an evolving ''dynamic structure model'' (DSM). This behaviour includes: in single cation glasses a strong dependence of ion mobility on…
We present a microscopic picture of silver dynamics in GeSe$_{3}$:Ag glass obtained from {\it ab initio} simulation. The dynamics of Ag is explored at two temperatures, 300K and 700K. In the relaxed network, Ag occupies bond centers between…
We use theory and simulations to investigate the existence of amorphous glassy states in ultrasoft colloids. We combine the hyper-netted chain approximation with mode-coupling theory to study the dynamic phase diagram of soft repulsive…
It is established theoretically that an ordered state with continuous symmetry is inherently unstable to arbitrarily small amounts of disorder [1, 2]. This principle is of central importance in a wide variety of condensed systems including…
Ionic conductivity in solid electrolytes is commonly expected to exhibit Arrhenius dependence on temperature, determined by a well-defined activation energy. Consequently, a standard approach involves calculating this energy using…
Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high…
When suppressing the itinerant antiferromagnetism in chromium by doping with the isostructual itinerant ferromagnet iron, a dome of spin-glass behavior emerges around a putative quantum critical point at an iron concentration $x \approx…
Recent measurements on ion conducting glasses have revealed that conductivity spectra for various temperatures and ionic concentrations can be superimposed onto a common master curve by an appropriate rescaling of the conductivity and…
By combining aspects of the coherent and self intermediate scattering functions, measured by dynamical light scattering on a suspension of hard sphere-like particles, we show that the arrest of particle number density fluctuations spreads…
Because of the negative inclination of the solid-liquid phase separation line in water, ice Ih melts on compression. On further increase in pressure the liquid water transforms into a high density metastable glassy state, characterized by a…