Related papers: Microscopic theory of ionic motion in solids
The ion drag force arising from plasma flow past an embedded spherical grain is calculated self-consistently and non-linearly using particle in cell codes, accounting for ion-neutral collisions. Using ion velocity distribution appropriate…
Solid ionic conductors are essential components of batteries and fuel cells. In many cases, ionic conduction through crystalline materials with substitutional disorder can be modeled with atomic-scale lattice model percolation simulations.…
Ionic liquids are promising candidates for novel electrolytes as they possess large electrochemical and thermodynamic stability and offer a high degree of tunability. As purely-ionic electrolyte without neutral solvent they exhibit…
We present a hydrodynamic theory describing pair diffusion in systems with periodic boundary conditions, thereby generalizing earlier work on self-diffusion [D\"unweg and Kremer, J. Chem. Phys. 1993, 99, 6983-6997; Yeh and Hummer, J. Phys.…
The flow of a liquid crystal around a particle does not only depend on its shape and the viscosity coefficients but also on the direction of the molecules. We studied the resulting drag force on a sphere moving in a nematic liquid crystal…
We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with molecular dynamics simulations of solutions of differing…
An accurate description of electron-ion interactions in materials is crucial for our understanding of their equilibrium and non-equilibrium properties. Here, we assess the properties of frictional forces experienced by ions in…
We study the frictional drag force in low-dimensional systems (2D-electron and 2D-liquid systems) mediated by a fluctuating electromagnetic field which originate from Brownian motion of ions in liquid. The analysis is focused on the…
While fluids near a solid surface are at the core of applications in energy storage/conversion, electrochemistry/electrowetting and adsorption/catalysis, their nanoscale behavior remains only partially deciphered. Beyond conventional…
We investigate a model for the dynamics of a solid object, which moves over a randomly vibrating solid surface and is subject to a constant external force. The dry friction between the two solids is modeled phenomenologically as being…
Spin and charge-current dynamics after ultrafast spin-polarized excitation in a normal metal are studied theoretically using a wave-diffusion theory. It is shown analytically how this macroscopic approach correctly describes the ballistic…
We describe an approach based on non-equilibrium molecular dynamics (NEMD) simulations to calculate the ionic mobility of solid ion conductors such as solid electrolytes from first-principles. The calculations are carried out in finite…
Ion transport underlies the operation of biological ion channels and governs the performance of electrochemical energy-storage devices. A long-standing anomaly is that smaller alkali metal ions, such as Li$^+$, migrate more slowly in water…
It is well established that magnetic fields have a significant effect on transport in certain classes of electronic conductors. Less reported, however, are similar effects in solid ionic conductors. Despite the rarity of Hall mobility…
Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band (NEB) methods or costly \emph{ab initio} molecular dynamics (AIMD). Building on a time-local model of current carrier-electrolyte…
A variation principle for mass transport in solids is derived that recasts transport coefficients as minima of local thermodynamic average quantities. The result is independent of diffusion mechanism, and applies to amorphous and…
General relations for nonequilibrium spin transport at a magnetic junction between a normal metal and a ferromagnetic insulator are derived from the quantum fluctuation theorem. They include the extended Onsager relations between the spin…
Motion of chemically driven droplets is analyzed by applying a solvability condition of perturbed hydrodynamic equations affected by the adsorbate concentration. Conditions for traveling bifurcation analogous to a similar transition in…
Drag of electrons of 1D ballistic nanowire by a nearby 1D beam of ions is considered. We assume that the ion beam is represented by an ensemble of heavy ions of the same velocity $\bf V$. The ratio of the drag current to primary current…
Ionic transport in conventional ionic solids is generally considered to proceed via independent diffusion events or "hops''. This assumption leads to well-known Arrhenius expressions for transport coefficients, and is equivalent to assuming…