Related papers: Pre-Stressed Sub-Surface Contribution on Bulk Diff…
The enhancement of surface diffusion (DS) over the bulk (DV) in metallic glasses (MGs) is well documented and likely to strongly influence the properties of glasses grown by vapor deposition. Here, we use classical molecular dynamics…
We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work function of the uncharged surface. As an…
The slow advance of a crack in sodo-silicate glasses was studied at nanometer scale by in situ and real time atomic force microscopy (AFM) in a well controlled atmosphere. An enhanced diffusion of sodium ions in the stress gradient field at…
We use first principles calculations to study the influence of thermomechanical loads on the energetics of precipitation in magnesium-aluminum alloys. Using Density Functional Theory simulations, we present expressions of the energy of…
Two-dimensional materials offer exceptional tunability of electronic and optical properties via strain and doping engineering. However, the unintentional introduction of polymeric residues during wet chemical 2D film transfer processes such…
In the present work the effect of surface roughness on oxidation behavior during the early stages of high temperature exposure of Ni-base superalloy IN 625 is described. The surface roughness was described using standard contact…
Ion bombardment is known to enhance surface diffusion and affect the surface morphology. To quantify this phenomenon we calculate the ion-induced diffusion constant and its dependence on the ion energy, flux and angle of incidence. We find…
In this work, we investigate the correlation between morphology, composition, and the mechanical properties of metallic amorphous tungsten-oxygen and amorphous tungsten-oxide films deposited by Pulsed Laser Deposition. This correlation is…
We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the recent development of temperature-dependent dislocation…
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…
The effects of oxygen flow speed and pressure on the iron and mild steel combustion are investigated experimentally and theoretically. The studied specimens are vertical cylindrical rods subjected to an axial oxygen flow and ignited at the…
Tungsten, a plasma-facing material for future fusion reactors, may be exposed to air during abnormal operation or accidents. Only limited information is available on the evolution of related oxide phases. This work addresses the effect of…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystalline structures of silica (SiO2), magnesia (MgO) and alumina…
Strain can affect the morphology of a crystal surface, and cause modifications of its reconstruction even when weak, as in the case of mechanical bending. We carried out calculations of strain-dependent surface free energy and direct…
We present mechanical measurements performed at low temperatures on cantilever-based microelectro-mechanicalstructures(MEMS) coated with a metallic layer. Two very different coatings are presented in order to illustrate the capabilities of…
The oxidation of human sebum, a lipid mixture covering our skin, generates a range of volatile and semi-volatile carbonyl compounds that contribute largely to indoor air pollution in crowded environments. Kinetic models have been developed…
Rock weathering is a common phenomenon in most engineering applications, such as underground storage or geothermal energy. This work offers a discrete element modelization of the problem considering cohesive granular material and debonding…
In a powder bed fusion additive manufacturing (AM) process, the balling effect has a significant impact on the surface quality of the printing parts. Surface wetting helps the bonding between powder and substrate and the inter-particle…