Related papers: Hydrogen redistribution in Zr-base cladding under …
We study the evaporation-induced stratification of a mixture of short and long polymer chains in a drying droplet using molecular simulations. We systematically investigate the effects of hydrodynamic interactions (HI) on this process by…
The adsorption and dissociation of isolated water molecule on Zr(0001) surface are theoretically investigated for the first time by using density-functional theory calculations. Two kinds of adsorption configurations with almost the same…
We employed a recently developed semi-empirical Zr potential to determine the diffusivities in the hcp and bcc Zr via molecular dynamics simulation. The point defect concentration was determined directly from MD simulation rather than from…
We consider the role of diffusion in the redistribution of elements in the hot interstellar medium (ISM) of early-type galaxies. It is well known that gravitational sedimentation can affect significantly the abundances of helium and heavy…
We solved the radiative transfer and statistical equilibrium equations in a two-dimensional cross-section of a cylindrical structure oriented horizontally and lying above the solar surface. The cylinder is filled with a mixture of hydrogen…
We develop a causal hydrodynamic model that provides an effective macroscopic description of the field-theoretic dynamics during the early stages of reheating. The inflaton condensate is treated as a homogeneous background coupled to a…
We present a kinetic model for solid state phase transformation (alpha<-->beta) of common zirconium alloys used as fuel cladding material in light water reactors. The model computes the relative amounts of beta or alpha phase fraction as a…
The general idea that optical radiation may cool matter was put forward by Pringsheim already in 1929. Doppler cooling of dilute atomic gases is an extremely successful application of this concept, and more recently anti-Stokes cooling in…
Vapor condensation is a physical phenomenon that finds application in heat removal systems. The traditional design of these systems involves round tubes but experience shows that this geometry is not optimal for heat transfer. Flattened…
The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation. Thanks to the use of maximally localized Wannier orbitals to represent the…
Understanding hydrogen diffusion is critical for improving the reliability and performance of oxide thin-film transistors (TFTs), where hydrogen plays a key role in carrier modulation and bias instability. In this work, we investigate…
Recent simulation studies have drawn attention to the shoulder which forms in the second peak of the radial distribution function of hard-spheres at densities close to freezing and which is associated with local crystalline ordering in the…
The Sudden Approximation is applied to invert structural data on randomly corrugated surfaces from inert atom scattering intensities. Several expressions relating experimental observables to surface statistical features are derived. The…
An understanding of hydrogen diffusion on metal surfaces is important, not just for its role in heterogeneous catalysis and hydrogen fuel cell technology, but also because it provides model systems where tunneling can be studied under…
Lagrangian studies of the local temperature mixing and heat transport in turbulent Rayleigh-Benard convection are presented, based on three-dimensional direct numerical simulations. Contrary to vertical pair distances, the temporal growth…
Surface diffusion on metal oxides is key in many areas of materials technology, yet it has been scarcely explored at the atomic scale. This work provides phenomenological insights from scanning tunneling microscopy on the link between…
We analyse the number density and radial distribution of substructures and satellite galaxies using cosmological simulations that follow the gas dynamics of a baryonic component, including shock heating, radiative cooling and star formation…
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…
We study how local rearrangements alter droplet stresses within flowing dense quasi-two-dimensional emulsions at area fractions $\phi \geq 0.88$. Using microscopy, we measure droplet positions while simultaneously using their deformed shape…
Discrete particle simulations are used to model segregation in granular mixtures of three different particle species in a horizontal rotating drum. Axial band formation is observed, with medium-size particles tending to be located between…