Related papers: Changes in Dislocation Punching Behavior Due to Hy…
First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in $\alpha$-Fe. Internal strains/stresses upon hydrogen…
In an attempt to bridge the gap between atomistic and continuum plasticity simulations of hydrogen in iron, we present three dimensional discrete dislocation plasticity simulations incorporating the hydrogen elastic stress and a hydrogen…
The feature of interaction electrons with neutral matter attracts large attention of physicists many directions. The exchange interaction in particular leads to creating of bubbles - spherical cavities with electron in center. Good object…
This paper presents a theoretical description of diffusion growth of a gas bubble after its nucleation in supersaturated liquid solution. We study systems where gas molecules completely dissociate in the solvent into two parts, thus making…
Chemical reactions in small droplets are extensively explored to accelerate the discovery of new materials, increase efficiency and specificity in catalytic biphasic conversion and in high throughput analytics. In this work, we investigate…
Molecular clouds typically consist of 3/4 H2, 1/4 He and traces of heavier elements. In an earlier work we showed that at very low temperatures and high densities, H2 can be in a phase transition leading to the formation of ice clumps as…
In part I (arXiv:2006.12393) (accepted in JPP), we simulated individual dynamics of a rising bubble and a falling droplet in an incompressible limit of a strongly coupled dusty plasma (SCDP) using a generalized hydrodynamic viscoelastic…
We describe the parameterization of a tungsten-hydrogen empirical potential designed for use with large-scale molecular dynamics simulations of highly irradiated tungsten containing hydrogen isotope atoms, and report test results.…
Helium ions implanted into metals can evolve into ordered bubbles isomorphic to the host lattice. Long-range elastic interaction is generally believed to drive the formation of bubble superlattice, but little is known about the…
Gas bubble transport through highly porous transport layers (PTLs) is a key process in electrochemical devices such as proton exchange membrane water electrolyzers, where bubbles generated at catalyst surfaces must migrate through complex…
In nuclear fusion reactors, tungsten will be exposed to high neutron loads at high temper atures (>900 C). The evolution and degradation of the mechanical properties under these conditions is uncertain and therefore constitutes a major…
The duality between deformations of elastic bodies and non-inertial flows in viscous liquids has been a guiding principle in decades of research. However, this duality is broken when a spheroidal or other doubly-curved liquid film is…
Shifting the point dipole from the center of a Stockmayer particle is a simple geometric modification that has been explored previously, yet its implications for liquid structure, dielectric response, and phase behavior remain incompletely…
The evaporation of particle-laden droplets on engineered surfaces underpins a wide range of technologies, from printed electronics to biosensing. While the influence of substrate topography on passive particle deposition is well…
Bose-Fermi mixtures naturally appear in various physical systems. In semiconductor heterostructures, such mixtures can be realized, with bosons as excitons and fermions as dopant charges. However, the complexity of these hybrid systems…
We report on experimental observations on the modifications in the propagation characteristics of precursor solitons due to the different shapes and sizes of the object over which the dust fluid flows. The experiments have been performed in…
Our first-principles density functional theory calculations suggest that the rare earth element, Ce, has a stronger attraction (-1.31eV) to He than He-He (-1.18eV) in bcc Fe. Consequently, the mobile He atoms could be pinned to Ce, and…
Dislocation nucleation is essential to our understanding of plastic deformation, ductility and mechanical strength of crystalline materials. Molecular dynamics simulation has played an important role in uncovering the fundamental mechanisms…
Twin boundaries (TBs) are assumed to be obstacles to dislocation motion and increase the strength of metals. Here, we report the abnormal phenomenon that TBs reduce the strength of body-centered cubic (BCC) tungsten (W). [1-11]-oriented W…
Transmission of hydrogen detonation wave (DW) in an inert particle curtain is simulated using the Eulerian-Lagrangian approach with gas-particle two-way coupling. A detailed chemical mechanism is used for hydrogen detonative combustion and…