Related papers: Computational workflow for investigating hydrogen …
We report the results of initial FUSE observations of molecular hydrogen (H2) in translucent clouds. These clouds have greater optical depth than any of the diffuse clouds previously observed for far-UV H2 absorption, and provide new…
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 distribution of 21 cm emission from neutral hydrogen is a powerful cosmological and astrophysical probe, as it traces the underlying dark matter and cold gas distributions throughout cosmic times. However, the prediction of observable…
Ruthenium thin films can serve as protective caps for multi-layer extreme ultraviolet mirrors exposed to atomic hydrogen. Hydrogen permeation through ruthenium is problematic as it leads to blisters on the mirrors. H has been shown to…
Slowly sheared particulate media like sand and suspensions flow heterogeneously as they yield via narrow shear bands where most of the strain is accumulated. Understanding shear band localization from microscopics is still a major…
We study charge transport across the metal-insulator crossover in the half-filled two-dimensional Hubbard model, with particular emphasis on precision control. The dynamic current-current correlation function is obtained directly in the…
Gas hydrates are systems of prime importance. In particular, hydrogen hydrates are potential materials of icy satellites and comets, and may be used for hydrogen storage. We explore the H2O-H2 system at pressures in the range 0-100 GPa with…
The experimental study of hydrogen bonds and their symmetrisation under extreme conditions is predominantly driven by diffraction methods, despite challenges of localising or probing the hydrogen subsystems directly. Until recently, H-bond…
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…
This article presents a novel computational model to study the selective filtering of biological hydrogels due to the surface charge and size of diffusing particles. It is the first model that includes the random 3D fiber orientation and…
Dynamics of adsorption and desorption of (4S)-N on amorphous solid water are analyzed using molecular dynamics simulations. The underlying potential energy surface was provided by machine-learned interatomic potentials. Binding energies…
Observations of intergalactic neutral hydrogen can provide a wealth of information about structure and galaxy formation, potentially tracing accretion and feedback processes on Mpc scales. Below a column density of NHI ~ 10^19 cm-2, the…
Characterization of composite materials, whose properties vary in space over microscopic scales, has become a problem of broad interdisciplinary interest. In particular, estimation of the inhomogeneous transport coefficients, e.g. the…
The impact of nucleating gas bubbles in the form of a dispersed gas phase on hydrogen isotope permeation at interfaces between liquid metals, like LLE, and structural materials, like stainless steel, has been studied. Liquid metal to…
We have studied the microscopic dynamics of hydrogen adsorbed to bundles of single walled carbon nanotubes using inelastic neutron scattering. Evidence is obtained for much higher storage capacities in chemically treated compared to as…
We investigate the optical properties of hydrogen as it undergoes a transition from the insulating molecular to the metallic atomic phase, when heated by a pulsed laser at megabar pressures in a diamond anvil cell. Most current experiments…
Tritium plays a critical role in nuclear fusion power plant designs and dryer beds are an essential tool for managing tritiated water vapor. A series of tests were performed to investigate the ability of a saturated dryer to preferentially…
Flows of particles through bottlenecks are ubiquitous in nature and industry, involving both dry granular materials and suspensions. However, practical limitations of conventional experimental setups hinder the full understanding of these…
At dry and clean material junctions of rigid materials the corrugation of the sliding energy landscape is dominated by variations of Pauli repulsions. These occur when electron clouds centered around atoms in adjacent layers overlap as they…
First-principles Markov Chain Monte Carlo sampling is used to investigate uncertainty quantification and uncertainty propagation in parameters describing hydrogen kinetics. Specifically, we sample the posterior distribution of thirty-one…