Related papers: Microscopic theory of ionic motion in solid electr…
A conception of inhomogeneous locally random distribution of microdefects in crystalline solids is proposed. A method to calculate some physical properties of solids, containing inhomogeneously distributed defects, is developed. A…
We propose an approach to measure surface elastic constants of soft solids. Generally, this requires one to probe interfacial mechanics at around the elastocapillary length scale, which is typically microscopic. Deformations of microscopic…
We compile data and machine learned models of solid Li-ion electrolyte performance to assess the state of materials discovery efforts and build new insights for future efforts. Candidate electrolyte materials must satisfy several…
Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
We introduce a general first-principles methodology for computing electronic structure in a finite uniform magnetic field which allows for an arbitrary rational magnetic flux and nonlocal pseudopotentials, at a comparable time complexity of…
In this work we present a new method of approximating the continuum wavefunctions with a discrete basis set. This method aims to be at least compatible with other well known methods of the electronic structure theory to describe processes…
We derive a microscopic equation of motion for the dynamical orientational correlators of molecular crystals. Our approach is based upon mode coupling theory. Compared to liquids we find four main differences: (i) the memory kernel contains…
Within the framework of a functional integral formalism incorporating ionic charge and hard-core (HC) interactions on an equal footing, we formulate a unified theory of equilibrium thermodynamics and ion association in charged solutions.…
The paper deals with the homogenization of deformable porous media saturated by two-component electrolytes. The model relevant to the microscopic scale describes steady states of the medium while reflecting essential physical phenomena,…
The bi-continuum model composed of two interpenetrating and dynamically coupled material continua is analysed as a simplified but relatively accurate way to describe some physical phenomena in crystalline solids. The essential novelty of…
In this chapter, the anatomy of an ion source is briefly described, as well as a few features of particle motion in electric and magnetic fields, and of particle dynamics and plasmas. Using this information, different types of ion sources…
Light-induced control of ions within small Coulomb crystals is investigated. By intense intracavity optical standing wave fields, subwavelength localization of individual ions is achieved for one-, two-, and three-dimensional crystals.…
We have carried out time--domain electrostatic force spectroscopy on two different ion conducting glasses using an atomic force microscope. We compare the electrostatic force spectroscopic data obtained at different temperatures with…
Experimental measurements of interactions in ionic liquids and concentrated electrolytes over the past decade or so have revealed simultaneous monotonic and oscillatory decay modes. These observations have been hard to interpret using…
An instability of a liquid droplet traversed by an energetic ion is explored. This instability is brought about by the predicted shock wave induced by the ion. An observation of multifragmentation of small droplets traversed by ions with…
In this review, from crystallographic symmetry to amorphous local polyhedra arrangement and combinations, we examine inorganic solid state electrolytes through the lens of structure property relationships, with oxides, sulfides, and halides…
Salt transport in bulk electrolytes is limited by diffusion and convection, but in microstructures with charged surfaces (e.g. microfluidic devices, porous media, soils, or biological tissues) surface conduction and electro-osmotic flow…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…
In this paper we create a model of particle motion on a three-dimensional lattice using discrete random walk with small steps. We rigorously construct a probability space of the particle trajectories. Unlike deterministic approach in…