Related papers: Interdiffusion of Ni-Al multilayers: a continuum a…
Large scale molecular dynamics and grand canonical Monte Carlo simulation techniques are used to study the behavior of the interdiffusion of a solvent into an entangled polymer matrix as the state of the polymer changes from a melt to a…
Based on a multi-scale calculations, combining ab-initio methods with spin dynamics simulations, we perform a detailed study of the magnetic behavior of Ni2MnAl/Fe bilayers. Our simulations show that such a bilayer exhibits a small exchange…
We report on molecular dynamics simulations of the atomic structure and diffusion processes at Al(110)/Si(001) interphase boundary created by simulated vapor deposition of Al(Si) alloy onto Si(001) substrate. An array of parallel misfit…
Antiferroelectric liquid crystals can be considered as a promising alternative to nematic mixtures in the area of microdisplays. Switching behaviour of the molecules has been modelled as two adjacent smectic layers. However, some studies…
Interstitial diffusion is a pivotal process that governs the phase stability and irradiation response of materials in non-equilibrium conditions. In this work, we study sluggish and chemically-biased interstitial diffusion in Fe-Ni…
Atomic diffusion at nanometer length scale may differ significantly from bulk diffusion, and may sometimes even exhibit counterintuitive behavior. In the present work, taking Cu/Ni as a model system, a general phenomenon is reported which…
In this work, Ni50Al50 alloy is taken into consideration as potential brazing material for joining ZrB2 ultra-high temperature ceramic. The results of experimental study on high temperature interfacial phenomena between molten binary…
The Ni-Au-Ga interdiffusion mechanisms taking place during rapid thermal annealing (RTA) under oxygen atmosphere of a Ni-Au/p-GaN contact are investigated by high-resolution transmission electron microscopy (HR-TEM) coupled to energy…
The sputter deposition of alternating layers of Ni(V) and Al forms a reactive multilayer known to undergo self-propagating formation reactions when ignited. The sequential deposition process leads to nm-scale premixing of reactants at each…
Using electron-induced X-ray emission spectroscopy (XES), we have studied two Al/Ni periodic multilayers that differ only by their annealing temperature: as-deposited and annealed at 115C. Our aim is to show that XES can provide further…
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…
We characterise the influence of the segregation behaviours of two typical alloying elements, aluminium and nickel, on the interfacial cohesive properties of copper-rich precipitates in ferritic steels, with a view towards understanding…
Self-diffusion parameters in stoichiometric B2-NiAl solid state crystals were estimated by molecular statics/dynamics simulations with the study of required simulation time to stabilise diffusivity results. An extrapolation procedure to…
Understanding transition metal atoms' intercalation and diffusion behavior in two-dimensional (2D) materials is essential for advancing their potential in spintronics and other emerging technologies. In this study, we used density…
The origin of bimodal behavior in the residue distribution experimentally measured in heavy ion reactions is reexamined using Boltzmann-Uehling-Uhlenbeck simulations. We suggest that, depending on the incident energy and impact parameter of…
This work investigates the problematic diffusion of metal atoms into phase change chalcogenides, which can destroy resonances in photonic devices. Interfaces between Ge2Sb2Te5 and metal layers were studied using X-ray reflectivity (XRR) and…
First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $\alpha$-iron. Hydrogen to Iron ratios between $\theta=1/16 and 1/2…
Intermetallic phases in a recently developed Al-Li-Cu-Mg alloy have been investigated to understand their roles in the initiation and propagation processes of intergranular corrosion. Corrosion initiation involves trenching formation in the…
Nucleon exchange mechanism is investigated in the central collisions of ${}^{40}$Ca + ${}^{238}$U and ${}^{48}$Ca + ${}^{238}$U systems near the quasi-fission regime in the framework of the Stochastic Mean-Field (SMF) approach. Sufficiently…
We discuss the interplay between a slow continuous drift of temperature, which induces continuous phase separation, and the non-linear diffusion term in the $\phi^4$-model for phase separation of a binary mixture. This leads to a bound for…