Related papers: A gas-phase reaction cell for modern Atom Probe sy…
Path integral Monte Carlo simulations are applied to study dense atomic hydrogen in the regime where the protons form a Wigner crystal. The interaction of the protons with the degenerate electron gas is modeled by Thomas-Fermi screening,…
In this study, a novel method for simulating plasma dynamics using parallel programming has been developed. The equations based on Particle-in-Cell (PIC) method were utilized and adapted for this purpose. We utilized 35 processors from…
Measurements of proton-nucleus scattering and high resolution neutrino-nucleus interaction imaging are key to reduce neutrino oscillation systematic uncertainties in future experiments. A High Pressure Time Projection Chamber (HPTPC)…
The equation of state of nuclear matter suggests that at suitable beam energies the disassembling hot system formed in heavy ion collisions will pass through a liquid-gas coexistence region. Searching for the signatures of the phase…
We present a macrohomogeneous two-phase model of a proton exchange membrane fuel cell (PEMFC). The model takes into account the mechanical compression of the gas diffusion layer (GDL), the two-phase flow of water, the transport of the gas…
An energy-based liquid-vapor interface detection method is presented using molecular dynamics (MD) simulations of liquid menisci confined between two parallel plates under equilibrium and evaporation/condensation conditions. This method…
Interactions between cold ions and atoms have been proposed for use in implementing quantum gates\cite{Idziaszek2007}, probing quantum gases\cite{Sherkunov2009}, observing novel charge-transport dynamics\cite{Cote2000}, and sympathetically…
We present a novel method for detecting gravitons using an atomic gas supported by laser fields. Despite the coupling strength of gravitons to atomic transitions being orders of magnitude weaker than that of photons to atomic transitions,…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
The Resistive Plate Chambers (RPC) detector of the CMS experiment at the LHC proton collider (CERN, Switzerland) will employ an online gas analysis and monitoring system of the freon-based gas mixture used. We give an overview of the CMS…
We study the proton-hydrogen collision in the energy range from 0 to 5 K where the hyperfine structure of the hydrogen atom is important. The proper multichannel treatment of the hyperfine structure is found to be crucial at cold…
Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…
In this work, we examine metal electrode-ionomer electrolyte systems at high voltage / negative surface charge and at high pH to assess factors that influence hydrogen production efficiency. We simulate the hydrogen evolution electrode…
We present the Raman microscopy ability to detect and characterize the way hydrogen is bonded with elements that will be used for ITER's plasma facing components. For this purpose we first use hydrogenated amorphous carbon samples, formed…
We propose a new method to investigate interactions involved in atomic force microscopy (AFM). It is a dynamical method relying on the growth of oscillations via parametric resonance. With this method the second and third derivatives of the…
In this paper, we demonstrate that atom probe tomography (APT) can be applied to small-molecule organic materials. We show that APT can provide an unprecedented combination of mass resolution of $\lt 1~\mathrm{Da}$, spatial resolution of…
Reactive chemistry of molecular hydrogen at surfaces, notably dissociative sticking and hydrogen evolution, plays a crucial role in energy storage and fuel cells. Theoretical studies can help to decipher underlying mechanisms and reaction…
The presence of gas or vapour bubbles may strongly influence the forces that occur during the impact of a liquid mass onto a solid. Here, we study this effect numerically, in a well-controlled manner, by simulating the short-time…
We employ molecular dynamic simulations to study the reduction process of graphene-oxide (GO) in a chemically active environment enriched with hydrogen. We examine the concentration and pressure of hydrogen gas as a function of temperature…
We have developed an experimental system to simultaneously observe surface structure, morphology, composition, chemical state, and chemical activity for samples in gas phase environments. This is accomplished by simultaneously measuring…