相关论文: Quantum driven proton diffusion in brucite-like mi…
We study the transverse momentum, $p_T$, broadening of charm and beauty quarks in the early stage of high energy nuclear collisions. We aim to compare the diffusion in the evolving Glasma fields with that of a standard, Markovian-Brownian…
Brucite (Mg(OH)$_2$) is a mineral of great interest owing to its various applications and roles in geological processes. Its structure, behavior under different conditions, and unique properties have been the subject of numerous studies and…
We calculate the ionisation fraction in protostellar disk models using two different gas-phase chemical networks, and examine the effect of turbulent mixing by modelling the diffusion of chemical species vertically through the disk. The aim…
The interacting lattice gas model is used to simulate fluid flow through an open percolating porous medium with the fluid entering at the source-end and leaving from the opposite end. The shape of the steady-state concentration profile and…
Intracrystalline diffusion is an invaluable tool for estimating timescales of geological events. Diffusion is typically modeled using gradients in chemical potential. However, chemical potential is derived for uniform pressure and…
Diffusion of dopants in rutile is the fundamental process that determines the performance of many devices in which rutile is used. The diffusion behavior is known to be highly sample-dependent, but the reasons for this are less well…
Recent experiments have triggered a debate about the ability of protons to transfer through individual layers of graphene and hexagonal boron nitride (h-BN). However, calculations have shown that the barriers to proton penetration can, at…
The radial drift and diffusion of dust particles in protoplanetary disks affect both the opacity and temperature of such disks as well as the location and timing of planetesimal formation. In this paper, we present results of numerical…
The paper studies the overdamped motion of Brownian particles in a tilted sawtooth potential. The dependencies of the diffusion coefficient and coherence level of Brownian transport on temperature, tilting force, and the shape of the…
Proton transport (PT) in bulk liquid water and within a thin water-filled carbon nanotube has been examined with ab initio pathintegral molecular dynamics (PIMD). Barrierless proton transfer is observed in each case when quantum nuclear…
Based on the recent experimental observations of the dominance of tensor interaction in the ~250-600~MeV/c momentum range of nucleons in nuclei, the existence of two new properties for high-momentum distribution of nucleons in asymmetric…
Imidazole is a promising anhydrous proton conductor with a high conductivity comparable to that of water at a similar temperature relative to its melting point. Previous theoretical studies of the mechanism of proton transport in imidazole…
Secondary charged hadrons multiplicity distributions in proton-proton and proton-antiproton collisions differ on principle. There are three types of inelastic processes in proton-antiproton scattering. The first type is production of…
Water is often viewed as a collection of monomers interacting electrostatically with each other. We compare the water proton momentum distributions from recent neutron scattering data with those calculated from two electronic structure…
At the low temperatures of interstellar dust grains, it is well established that surface chemistry proceeds via diffusive mechanisms of H atoms weakly bound (physisorbed) to the surface. Until recently, however, it was unknown whether atoms…
We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule: A complex paradigmatic system where the making and breaking of H-bonds in a highly anharmonic potential energy surface requires a quantum mechanical…
A new reactive force field to describe proton diffusion within the solid-oxide fuel cell material BaZrO3 has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe…
The energy landscape and diffusion barriers of protonic defects in Gd-doped BaCeO3, a compound candidate as electrolyte for protonic ceramic fuel cells, have been investigated by density functional theory calculations, starting from a…
Specific heat, dc- and ac-magnetic susceptibility are reported for a large single crystal of PrOs$_4$Sb$_{12}$ and, after grinding, its powder. The room temperature effective paramagnetic moment of the crystal was consistent with the…
The theoretical analysis of the process of diffusion of interstitial oxygen atoms and hydrogen molecules in silicon and germanium crystals has been performed. The calculated values of the activation energy and pre-exponential factor for an…