Related papers: Time-Dependent Density Functional Theory Simulatio…
Hydrogen isotopes are retained in materials for fusion power applications, changing both hydrogen embrittlement and tritium inventory as the microstructure undergoes irradiation damage. But modelling of highly damaged materials - exposed to…
Reflection and implantation of low energy helium (He) ions by tungsten (W) substrate are studied using molecular dynamics (MD) simulations. Motivated by the ITER divertor design, our study considers a range of W substrate temperatures (300…
A theoretical model for the effect of water hydrogen bonding on the thermodynamics of hydrophobic hydration is proposed as a combination of the classical density functional theory with the recently developed probabilistic approach to water…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
Considerable information about the early-stage dynamics of heavy-ion collisions is encoded in the rapidity dependence of measurements. To leverage the large amount of experimental data, we perform a systematic analysis using…
High-speed visible imaging of sub-microsecond electric explosion of wires at the low specific energy deposition threshold reveals three distinct modes of wire failure as capacitor charge voltage and energy deposition are increased. For 100…
The problem of antiproton scattering on the molecular Hydrogen is investigated by means of wave packet dynamics. The electronically potential energy surfaces of the antiproton H2 system are presented within this work. Excitation and…
The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures, which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the…
Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under…
Using gamma radiation and volumetric analysis of desorbed gas, hydrogen gas bonding sites have been created and detected in select materials. Desorption of hydrogen was followed over a benign temperature-pressure range. The extent of active…
We present a novel joint time-dependent density-functional theory for the description of solute-solvent systems in time-dependent external potentials. Starting with the exact quantum-mechanical action functional for both electrons and…
Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…
A study of the dynamics of the positive charges in liquid argon has been carried out in the context of the future massive time projection chambers proposed for dark matter and neutrino physics. Given their small mobility coefficient in…
A qualitative model is proposed for a pair of atoms: oxygen and hydrogen in a single-mode optical cavity, bound by one valence electron and immersed in a thermal bath. The interaction of an electron with the cavity field depends on the…
Using transient grating spectroscopy (TGS) we measure the thermal diffusivity of tungsten exposed to different levels of 20 MeV self-ion irradiation. Damage as low as 3.2 x 10^-4 displacements per atom (dpa) causes a measurable reduction in…
Neutralization probabilities are presented for hyperthermal energy Na+ ions scattered from a Cu(001) crystal as a function of surface temperature and scattered velocity. A large enhancement in neutralization is observed as the temperature…
We present predictions for two statistical measures of the hydrogen reionization process at high redshift. The first statistic is the number of neutral segments identified in spectra of high redshift QSOs as a function of their length. The…
The model of hydrogen migration and of the reactions of hydrogen atoms with electrically active impurity, developed earlier, has been applied to simulate hydrogen diffusion and passivation process during plasma deuteration of silicon…
The probability of photoionization of a heavy hydrogen like ion is calculated within the relativistic perturbation theory. The Coulomb potential of a heavy nucleus is taken into account accurately by usage of the corresponding solutions of…
Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…