相关论文: Quantum driven proton diffusion in brucite-like mi…

Hydrous minerals contribute largely to the transport and distribution of water into the mantle of earth to regulate the process of deep-water cycle. Brucite is one of the simplest layered dense hydrous mineral belonging to MgO-SiO2-H2O…

Fast proton conduction mechanism is of key importance for achieving high performance in fuel cell membranes, batteries, supercapacitors, and electrochromic materials. Enhanced proton diffusion is often observed in hydrated materials where…

In the present study, the nuclear quantum effects (NQEs) on proton diffusivity in oxides were evaluated by molecular dynamics (MD) simulations with the quantum thermal bath (QTB) based on the Langevin dynamics. We employed the proton…

$LaH_{10}$, as a member of hydrogen-rich superconductors, has a superconducting critical temperature of 250 K at high pressures, which exhibits the possibility of solving the long-term goal of room temperature superconductivity. Considering…

The aqueous proton displays an anomalously large diffusion coefficient that is up to 7 times that of similarly sized cations. There is general consensus that the proton achieves its high diffusion through the Grotthuss mechanism, whereby…

Proton motions in hydrated proton conducting perovskites BaZr_{0.90}A_{0.10}O_{2.95} (A = Y and Sc) have been investigated using quasielastic neutron scattering. The results reveal a localized motion on the ps time scale and with an…

Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…

In this work we simulate the propagation of Ultra High Energy (UHE) protons in the magnetised intergalactic medium of Galaxy Clusters (GCs). Differently from previous works on the subject, we trace proton trajectories in configurations of…

In this work we first study the quantum diffusion in a volume of a crystalline solid at high interstitial concentrations when the effects of the short-range interactions between the diffusing particles are to be factors. Within the scope of…

Diffusion of atomic and molecular hydrogen in the interstitial space between graphite sheets has been studied by molecular dynamics simulations. Interatomic interactions were modeled by a tight-binding potential fitted to density-functional…

Irradiation of isolated water molecules by few-cycle pulses of intense infrared laser light can give rise to ultrafast rearrangement resulting in formation of the H2+ ion. Such unimolecular reactions occur on the potential energy surface of…

We study the phenomenon of quantum friction in a system consisting of a polarizable atom moving at a constant speed parallel to a metallic plate. The metal is described using a charged hydrodynamic model for the electrons. This model…

Diffusive transport properties of a quantum Brownian particle moving in a tilted spatially periodic potential and strongly interacting with a thermostat are explored. Apart from the average stationary velocity, we foremost investigate the…

Garnet has been widely used to decipher the pressure-temperature-time history of rocks, but its physical properties such as elasticity and diffusion are strongly affected by trace amounts of hydrogen. Experimental measurements of H…

The production of polarized proton beams with multi-GeV energies in ultra-intense laser interaction with targets is studied with three-dimensional Particle-In-Cell simulations. A near-critical density plasma target with pre-polarized proton…

We investigate acceleration and propagation processes of high-energy particles inside hot accretion flows. The magnetorotational instability (MRI) creates turbulence inside accretion flows, which triggers magnetic reconnection and may…

For hydrogen bonded crystals exhibiting proton transfer along hydrogen bonds, namely $\mathrm{O1-H}... \mathrm{O2} \longleftrightarrow \mathrm{O1}... \mathrm{H-O2}$, there is a dichotomy of interpretation consisting in that while the…

The recent discovery of phase IV of solid hydrogen and deuterium consisting of two alternate layers of graphenelike three-molecule rings and unbound H2 molecules have generated great interests. However, vibrational nature of phase IV…

Highly energetic ions that impact materials have applications from semiconductor industry to medicine, and are fundamentally interesting as they trigger multi-length and time-scale processes. In particular, they excite electrons into…

Proton transfer rates and mechanisms are studied in mesoscopic, liquid-state, molecular clusters. The proton transfer occurs in a proton-ion complex solvated by polar molecules comprising the cluster environment. The rates and mechanisms of…