Related papers: Ion exchange in silicate glass: mass average inter…
Accurate modeling of physical and chemical processes in the interstellar medium requires detailed knowledge of how atoms and molecule adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first…
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…
Using dielectric spectroscopy and differential scanning calorimetry, we have performed a detailed investigation of the influence of water uptake on the translational and reorientational glassy dynamics in the typical ionic liquid…
Mechanical stresses and strains developing locally within the microstructure of active ion-battery-electrode materials during charge-discharge cycles can compromise their long-term stability. In this context, crystalline compounds…
Two different silicate/water ice mixtures representing laboratory analogues of interstellar and circumstellar icy grains were produced in the laboratory. For the first time, optical constants, the real and imaginary parts of the complex…
We analyze H$\alpha$ images and long-slit spectra of samples of normal and starburst galaxies to better understand the nature of the diffuse, low-surface-brightness gas in these galaxies. We find that in both samples there is a strong…
Two kinds of recursive lattices with the same coordination number but different unit cells (2-D square and 3-D cube) are constructed and the antiferromagnetic Ising model is solved exactly on them to study the stable and metastable states.…
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…
We show that dynamic exchange is a dominant effect in strong field ionization of molecules. In $CO_2$ it fixes the peak ionization yield at the experimentally observed angle of $45^\circ$ between polarization direction and the molecular…
We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole…
The most important characteristic of glass transition is a jump in specific heat $\Delta C_{p}$. Despite its significance, no standard theory exists to describe it. In this study, first-principles molecular-dynamics (MD) simulations are…
The interdiffusion of six major elements (Si, Ti, Fe, Mg, Ca, K) between natural shoshonite and a high-K calc-alkaline rhyolite (Vulcano island, Aeolian archipelago, Italy) has been experimentally measured by the diffusion couple technique…
We investigate by means of molecular dynamics simulation a coarse-grained polymer glass model focusing on (quasi-static and dynamical) shear-stress fluctuations as a function of temperature T and sampling time $\Delta t$. The linear…
A thermal activation model to describe the plasticity of bulk metallic glasses (Derlet and Maa\ss, Phil. Mag. 2013, DOI: 10.1080/14786435.2013.826396) which uses a distribution of barrier energies and some aspects of under-cooled liquid…
The mixed alkali or mixed mobile ion effect in glasses manifests itself by strong nonlinear variations of ionic transport properties upon mixing of different types of mobile ions. We develop a theory for this effect based on thermally…
Interstellar grain mantles present in dense interstellar clouds are in constant exchange with the gas phase via accretion and desorption mechanisms such as UV, X-ray photodesorption, cosmic ray induced sputtering, grain thermal…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
On the basis of shear modulus measurements on a Pt-based glass, we calculated temperature dependence of the defect concentration c using the Interstitialcy theory. This temperature dependence is compared with temperature dependence of the…
Understanding the nature of glass transition, as well as precise estimation of the glass transition temperature for polymeric materials, remain open questions in both experimental and theoretical polymer sciences. We propose a data-driven…
The glass transition of mesoscopic charged particles in two-dimensional confinement is studied by mode-coupling theory. We consider two types of effective interactions between the particles, corresponding to two different models for the…