Related papers: Quantum driven proton diffusion in brucite-like mi…
Quantum Brownian motion in a periodic cosine potential is studied and a simple estimate of the tunneling effect is obtained in the frames of a quasi-equilibrium semiclassical approach. It is shown that the latter is applicable for heavy…
We investigate the gravitational interaction between low- to intermediate-mass planets ($M_p \in[0.06-210]\,M_{\oplus}$) and two previously formed pressure bumps in a gas-dust protoplanetary disc. We explore how the disc structure changes…
We study the passage of proton (H$^{+}$) through different five membered aromatic ring systems by considering one dimensional motion of the proton along a line perpendicular to the plane of the ring. The potential for the motion of…
We study molecular diffusion in linear nanopores with different types of roughness in the so-called Knudsen regime. Knudsen diffusion represents the limiting case of molecular diffusion in pores, where mutual encounters of the molecules…
Heterostructures of 2D materials offer a fertile ground to study ion transport and charge storage. Here we employ ab initio molecular dynamics to examine the proton-transfer/diffusion and redox behavior in a water layer confined in the…
It is shown using the method of molecular dynamics that the motion of carbon nanoparticles (rectangular graphene flakes, spherical fullerenes of size $L<10$ nm) on the surface of a thermalized graphene sheet lying on a flat substrate can be…
High-pressure metal superhydrides have attracted intense scientific interest due to their remarkable superconducting properties. While superconductivity is known to be sensitive to material composition, compositional variability is often…
Diffusion rates through a membrane can be asymmetric, if the diffusing particles are spatially extended and the pores in the membrane have asymmetric structure. This phenomenon is demonstrated here via a deterministic simulation of a…
We studied the crystal and magnetic structure of Ca2RuO4 by different diffraction techniques under high pressure. The observed first order phase transition at moderate pressure (0.5 GPa) between the insulating phase and the metallic high…
This paper presents a study of the effects of proton irradiation on iron corrosion. Since it is known that in humid atmospheres, iron corrosion is enhanced by the double influence of air and humidity, we studied the iron corrosion under…
Experiments have evidenced proton pairing in Y-doped BaZrO3. However, the nature of proton pairing and its impact on conduction remain insufficiently understood theoretically. Here, through quantitative computational analysis of…
The possibility of hydrodynamic diffusion in a model of grease ice stirred by the velocity field of a gravity wave is explored. It is argued that mechanical interactions among ice crystals can induce disturbances in the fluid velocity - in…
Hydrogen tungsten bronzes (HxWO3), known for their mixed protonic-electronic conduction near room temperature, are extensively studied for electrochromic and gasochromic applications. However, their proton transport properties at elevated…
Aims. We probe the effect of turbulent diffusion on the chemistry at the interface between a cold neutral medium (CNM) cloudlet and the warm neutral medium (WNM). Methods. We perform moving grid, multifluid, 1D, hydrodynamical simulations…
We investigate the early part of the crystal nucleation process in the hard sphere fluid using data produced by computer simulation. We find that hexagonal order manifests continuously in the overcompressed liquid, beginning approximately…
We study the hopping transport of a quantum particle through finite, randomly diluted percolation clusters in two dimensions. We investigate how the transmission coefficient T behaves as a function of the energy E of the particle, the…
Erosion and deposition during flow through porous media can lead to large erosive bursts that manifest as jumps in permeability and pressure loss. Here we reveal that the cause of these bursts is the re-opening of clogged pores when the…
A collision between a proton and a heavy nucleus at ultrarelativistic energy creates particles whose rapidity distribution is asymmetric, with more particles emitted in the direction of the nucleus than in the direction of the proton. This…
The empirical velocity of a reaction-diffusion front, propagating into an unstable state, fluctuates because of the shot noises of the reactions and diffusion. Under certain conditions these fluctuations can be described as a diffusion…
High moments of multiplicity distributions of conserved quantities are predicted to be sensitive to critical fluctuations. To understand the effect of the complicated non-critical physics backgrounds on the proposed observable, we have…