Related papers: Quantum driven proton diffusion in brucite-like mi…
Neural network potential based molecular dynamics (MD) simulations on the excellent H conductor LaH2.75O0.125 show that O starts diffusing above a critical temperature of Tc~550 K, according to the variance of atom positions regardless of…
Experimental observations suggest that molecular adsorbates exhibit a larger friction coefficient than atomic species of comparable mass, yet the origin of this increased friction is not well understood. We present a study of the…
Proton-conducting solid acids could enable water-free operation of high-temperature fuel cells. However, systematic materials screening has, hitherto, been computationally prohibitive. Here, we introduce a two-stage high-throughput…
Recent theoretical investigations [Belonoshko et al. Nature Geoscience 10, 312 (2017)] revealed occurrence of concerted migration of several atoms in bcc Fe at inner-core temperatures and pressures. Here, we combine first-principles and…
For high- pressure nucleation experiments in upward diffusion cloud chamber, there is the great deviation of predictions of classical nucleation theory from experimental results; the discrepancy is more than 10 orders of magnitude of…
We address the hydrodynamics of operator spreading in interacting integrable lattice models. In these models, operators spread through the ballistic propagation of quasiparticles, with an operator front whose velocity is locally set by the…
We revisit the problem of diffusion in a driven system consisting of an inertial Brownian particle moving in a symmetric periodic potential and subjected to a symmetric time-periodic force. We reveal parameter domains in which diffusion is…
We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across…
One of the most important experimental results for proton-proton scattering at the LHC is the observation of a so-called "ridge" structure in the two particle correlation function versus the pseudorapidity difference $\Delta\eta$ and the…
The BaCe0.8Y0.2O3-{\delta} proton conductor under hydration and under compressive strain has been analyzed with high pressure Raman spectroscopy and high pressure x-ray diffraction. The pressure dependent variation of the Ag and B2g bending…
Charged particles in a magnetosphere are spontaneously attracted to a planet while increasing their kinetic energy via inward diffusion process. A constraint on particles' micro-scale adiabatic invariants restricts the class of motions…
We study continuum percolation in nuclear collisions for the realistic case in which the nuclear matter distribution is not uniform over the collision volume, and show that the percolation threshold is increased compared to the standard,…
The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By…
The momentum diffusion coefficient for heavy quarks is studied in a deconfined gluon plasma in the static approximation by investigating a correlation function of the color electric field using Monte Carlo techniques. The diffusion…
We study the effect of density perturbations on the process of first-order phase transitions and gravitational wave production in the early Universe. We are mainly interested in how the distribution of nucleated bubbles is affected by…
The vorticity development is studied in the reaction plane of peripheral relativistic heavy ion reactions where the initial state has substantial angular momentum. The earlier predicted rotation effect and Kelvin Helmholtz Instability, lead…
Hydrogen compounds are peculiar as the quantum nature of the proton can crucially affect their structural and physical properties. A remarkable example are the high-pressure phases of H$_2$O, where quantum proton fluctuations favor the…
Buoyancy-driven turbulent convection leads to a fully compressible flow with a strong top-down asymmetry of first- and second-order statistics when the adiabatic equilibrium profiles of temperature, density and pressure decay very strongly…
In this paper, we present a new model based on Quasi liquid layer to explain why the direction of lateral motion of the curling rock on ice surface is opposite to the other material surface. As we know, under the action of inertial force,…
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…