相关论文: Elucidating the initial steps in {\alpha}-uranium …
Between the initial excitation of nucleons by the passing throughout each other and the final cascading of newly created hadrons there should be considered one more step. We call it the second step cascading process. It acts as an…
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…
The interaction of hydrogen and metals continues to be industrially relevant and is a critical part of creating and supporting a safety case for nuclear reactor operation. In the present work, we explore hydrogen storage and hydride…
If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…
Experimental results on the formation of molecular hydrogen on amorphous silicate surfaces are presented for the first time and analyzed using a rate equation model. The energy barriers for the relevant diffusion and desorption processes…
Bulk composites using powder blends of Mn and Bi with equal atomic ratios are consolidated and severely deformed by high-pressure torsion (HPT). Subsequent annealing treatments lead to the formation of the ferromagnetic and rare-earth free…
We present a combined phase field and cohesive zone formulation for hydrogen embrittlement that resolves the polycrystalline microstructure of metals. Unlike previous studies, our deformation-diffusion-fracture modelling framework accounts…
When metal surfaces are exposed to hydrogen ion irradiation, the light ions are expected to penetrate deep into the material and dissolve in the matrix. However, these atoms are seen to cause significant modification of surfaces, indicating…
The free motion of charged colloids within ionic solutions and in the vicinity of charged boundaries, is a phenomenon that occurs in various natural, biological and industrial settings. Here, we develop an electrohydrodynamic lubrication…
The formation of a spanning hydrogen-bonded network of hydration water is found to occur via a 2D percolation transition in various systems: smooth hydrophilic surfaces, the surface of a single protein molecule, protein powder and diluted…
Ultra low momentum neutron catalyzed nuclear reactions in metallic hydride system surfaces are discussed. Weak interaction catalysis initially occurs when neutrons (along with neutrinos) are produced from the protons which capture ``heavy''…
We report a simple technique for the synthesis of uniaxially textured, metastable hexagonal close-packed-like uranium thin films with thicknesses between 175-2800 \r{A}. The initial structure and texture of the layers have been studied via…
Understanding the hydration and diffusion of ions in water at the molecular level is a topic of widespread importance. The ammonium ion (NH$_4^+$) is an exemplar system that has received attention for decades because of its complex…
Non-uniform temperature fields are analyzed, which arise in the problems of formation of the steady shock wave at impact and ramp loading of metals, exit of the steady shock wave to the free surface, and the shock wave passing through the…
Wetting of actual surfaces involves diverse hysteretic phenomena stemming from ever-present imperfections. Here we clarify the origin of wetting hysteresis for a liquid front advancing or receding across an isolated defect of nanometric…
We present a hydro-geomechanical model for subsurface methane hydrate systems. Our model considers kinetic hydrate phase change and non-isothermal, multi-phase, multi-component flow in elastically deforming soils. The model accounts for the…
The structures of compressed rubidium polyhydrides, RbHn with n>1, and their evolution under pressure are studied using density functional theory calculations. These phases, which start to stabilize at only P=2 GPa, consist of Rb+ cations…
In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…
We present one-dimensional numerical simulations describing the behavior of solid matter exposed to subpicosecond near infrared pulsed laser radiation. We point out to the role of strong isochoric heating as a mechanism for producing highly…
We report detailed microscopic studies of asphaltenes aggregation onset during waterflooding of petroleum reservoirs. To achieve this objective, a series of simulations are performed on asphaltenic-oil miscibilized with water at high…