Related papers: Simulation of interstitial diffusion of ion-implan…
The temporal interface microstructure and diffusion in the diffusion couples with the mutual interactions of temperature gradient, concentration difference and initial aging time of the alloys were studied by phase-field simulation, the…
Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement of an ion over a wide range of compression and temperature. Expressed as a fraction of the Wigner-Seitz radius, the displacement is a…
Magnetic properties of thin (Ga,Mn)As layers improve during annealing by out-diffusion of interstitial Mn ions to a free surface. Out-diffused Mn atoms participate in the growth of a Mn-rich surface layer and a saturation of this layer…
New properties can arise at van der Waals (vdW) interfaces hosting a moir\'e pattern generated by interlayer twist and strain. However, achieving precise control of interlayer twist/strain remains an ongoing challenge in vdW heterostructure…
We study diffusion of self-interstitial atoms (SIAs) in vanadium via molecular dynamics simulations. The <111>-split interstitials are observed to diffuse one-dimensionally at low temperature, but rotate into other <111> directions as the…
The irradiation stability of Cr based protective coatings on zirconium alloys is critical for the development of accident-tolerant fuel claddings. However, conventional surface irradiation often produces shallow, nonuniform damage,…
Using Monte Carlo simulations we study jamming and percolation processes upon the random sequential adsorption of dimers on binary alloys with different degrees of structural order. We obtain the equimolar mixtures used as substrates by…
Using classical molecular dynamics simulations, we investigate the mobility of ions in [Bmim][TFSI], a typical room temperature ionic liquid. Analyzing the trajectories of individual cations and anions, we estimate the time that ions spend…
Al2O3 thin films have been deposited at substrate temperatures between 500{\deg}C to 600{\deg}C by reactive magnetron sputtering using an additional arbitrary substrate bias to tailor the energy distribution of the incident ions. The films…
We have investigated the coarsening mechanism of intergranular Cr-rich M2B borides after creep and annealing at 850C for approximately 3000 hours in a polycrystalline nickel-based superalloy. Borides were found to be coarser after creep,…
Highly energetic ions that impact materials have applications from semiconductor industry to medicine, and are fundamentally interesting as they trigger multi-length and time-scale processes. In particular, they excite electrons into…
The bulk irradiation of materials with 10-30 MeV protons promises to advance the study of radiation damage for fission and fusion power plants. Intermediate energy proton beams can now be dedicated to materials irradiation within…
We investigate properties of turbulence and turbulent transport of non-inertial particles described in terms of turbulent thermal diffusion in strongly inhomogeneous and anisotropic convection forced by two similar turbulence generators…
Amorphous silicon materials and its alloys become extensively used in some technical applications involving large area of the microelectronic and optoelectronic devices. However, the amorphous-crystalline transition, segregation and…
The formation and growth of refractory matter on pre-existing interstellar dust grain surfaces was studied experimentally by annealing neon-ice matrices in which potential precursors of silicate grains (Mg and Fe atoms, SiO and SiO$_2$…
The material dispersion of the [Ckmim][BF4] (k = 2,3,4,6,7,8,10) family of ionic liquids is measured at several temperatures over a broad spectral range from 300 nm to 1550 nm. The experimental curves are fitted to a modified…
The change in materials properties subjected to irradiation by highly energetic particles strongly depends on the irradiation dose rate. Atomistic simulations can in principle be used to predict microstructural evolution where experimental…
Grain boundary (GB) diffusion in polycrystalline materials is a physical phenomenon of great fundamental interest and practical significance. Although the accelerated ("short circuit") atomic transport along GBs has been known for decades,…
Thermal instability in an electron-ion magnetized plasma, which is relevant in the intragalactic medium (IGM) of galaxy clusters, solar corona, and other two-component plasma objects is investigated. We apply the multicomponent plasma…
We use new equations for the interstitial impurity diffusion fluxes under strain to study impurity atom redistribution in the vicinity of dislocations. Two levels of simulation are applied. The first one is evaluation of coefficients that…