Related papers: Diffusion Mechanisms in Li$_{0.5}$CoO$_2$ -- A Com…
Long-timescale simulations of the diffusion of a H$_2$O admolecule on the (0001) basal plane of ice Ih were carried out over a temperature range of 100 to 200 K using the adaptive kinetic Monte Carlo method and TIP4P/2005f interaction…
We investigate the electronic states of the CoO_2 plane in the layered cobalt oxides Na_{0.5}CoO_{2} using the realistic 11 band d-p model on a two-dimensional triangular lattice. Effects of the Coulomb interaction on a Co site: the intra-…
Surface sensitive electric current measurements are important experimental tools poorly corroborated by theoretical models. We show that the drift-diffusion equations offer a framework for a consistent description of such experiments. The…
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.…
We use femtosecond resonant soft x-ray scattering to measure the ultrafast optical melting of charge-order correlations in La$_{1.875}$Ba$_{0.125}$CuO$_4$. By analyzing both the energy-resolved and energy-integrated order parameter…
Motivated by recent experimental progress to read out quantum bits implemented in superconducting circuits via the phenomenon of dynamical bifurcation, transitions between steady orbits in a driven anharmonic oscillator, the Duffing…
The recent emergence of lead-halide perovskites as active layer materials for thin film semiconductor devices including solar cells, light emitting diodes, and memristors has motivated the development of several new drift-diffusion models…
Ab initio simulations are combined with in situ infrared spectroscopy to unveil the molecular transport of H$_2$, CO$_2$, and H$_2$O in the metal organic framework MOF-74-Mg. Our study uncovers---at the atomistic level---the major factors…
Problems in the Lifshitz theory of atom-wall interaction arise when the dc conductivity of dielectric wall is included into the model of the dielectric response. We review the low-temperature behavior of the free energy and entropy of…
Recent experimental data on the diffusion coefficient of carbon in alpha-iron below liquid nitrogen temperature (LNT) question the classical approach to the observed temperature dependence. As the temperature is lowered below LNT, the…
Quasielastic neutron scattering (QENS) measurements combined with first principles based moleculardynamics calculations were conducted to study the dynamics of Li$^+$ ions in a solid-state electrolyte La$_{2/3-x}$Li$_{3x}$TiO$_{3}$ (LLTO)…
In the context of the energy landscape description of supercooled liquids, we propose an explanation for the different behaviour of fragile and strong liquids. Above the Goldstein crossover temperature Tx, diffusion is interpreted as a…
Deposits of dipolar particles are investigated by means of extensive Monte Carlo simulations. We found that the effect of the interactions is described by an initial, non-universal, scaling regime characterized by orientationally ordered…
We study the nonequilibrium dynamics of photoinduced phase transitions in charge ordered (CO) systems with a strong electron-lattice interaction and analyze the interplay between electrons, periodic lattice distortions, and a phonon thermal…
Lasers with wavelengths of the order of the atomic size are becoming available. We explore the behavior of light-matter interactions in this emergent field by considering the atomic Kapitza-Dirac effect. We derive the diffraction patterns,…
We report measurements of the diffusion rate of isolated ion-implanted $^{8}$Li$^{+}$ within $\sim$120 nm of the surface of oriented single-crystal rutile TiO$_2$ using a radiotracer technique. The $\alpha$-particles from the $^{8}$Li decay…
In diffusion processes of solid materials, such as in the classical thermal shock problem and the recent lithium ion battery, the maximum diffusion induced stress (DIS) is a very important quantity. However a widely accepted, accurate and…
The observed amount of lithium for low metallicity population II stars (known as the Spite plateau) is a factor of $\sim 3-5$ lower than the predictions of the standard cosmology. Since the observations are limited to the local Universe…
We investigate experimentally the energy distribution of a single rubidium atom trapped in a strongly focused dipole trap under various cooling regimes. Using two different methods to measure the mean energy of the atom, we show that the…
Idealized numerical simulation is used to explore energy sinks for lee waves trapped in their bottom-intensified generating flow. In addition to the loss to explicit dissipation and reabsorption predicted by linear wave action conservation,…