Related papers: Reversible grain boundary complexion transition ex…
Fission gas swelling and release in UO$_2$ are governed by the coupled evolution of intragranular clusters and bubbles, migrating grain boundaries (GBs), triple junctions (TJs), and their eventual connection to a free surface (FS). We…
The thermal structure of a protoplanetary disc is regulated by the opacity that dust grains provide. However, previous works have often considered simplified prescriptions for the dust opacity in hydrodynamical disc simulations, e.g. by…
We study the evolution of molecular hydrogen on the grain surfaces and in the gas phase using both the rate equation (which tracks the average number of molecules) and the master equation (which tracks the expectation values of molecules).…
We develop an explicit and tractable representation of a twist-grain-boundary phase of a smectic A liquid crystal. This allows us to calculate the interaction energy between grain boundaries and the relative contributions from the bending…
The thermal boundary resistance (Kapitza resistance) of (001) twist grain boundaries in silicon nanowires depends on the mismatch angle. This dependence is systematically investigated by means of nonequilibrium molecular dynamics…
Presolar grains are small particles found in meteorites through their isotopic compositions which are considerably different from those of materials in the Solar System. If some isotopes in presolar grains diffused out beyond their grain…
Effects of the Verwey transition on the (100) surface of magnetite were studied using scanning tunelling microscopy and spin polarized low-energy electron microsccopy. On cooling through the transition temperature Tv, the initially flat…
In this communication the enhancement of low temperature magnetoresistance in polycrystalline La1-xCaxMnO3 manganites is discussed. It is shown that so-called grain boundary effects seem to be the simplest and natural explanation of this…
A detailed theoretical and numerical investigation of the infinitesimal single-crystal gradient plasticity and grain-boundary theory of Gurtin (2008) "A theory of grain boundaries that accounts automatically for grain misorientation and…
This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…
In this paper we study the effects of inclusions and porosities on the emission properties of silicate grains and compare the model curves with the observed infrared emission from circumstellar dust. We calculate the absorption efficiency…
Carbonates have repeatedly been discussed as possible carriers of stardust emission bands. However, the band assignments proposed so far were mainly based on room temperature powder transmission spectra of the respective minerals. Since…
We present a systematic trend study of the symmetric tilt grain boundaries about the <110> axis in molybdenum. Our results show that multiple structural phases, some incorporating vacancies, compete for the boundary ground state. We find…
Grain boundaries have been shown to dramatically influence the behavior of relatively simple materials such as monatomic metals and binary alloys. The increased chemical complexity associated with multi-principal element alloys is…
Dust clouds influence the atmospheric structure of brown dwarfs, and they affect the heat transfer and change the gas-phase chemistry. However, the physics of their formation and evolution is not well understood. In this letter, we predict…
The size distribution and orbital architecture of dust, grains, boulders, asteroids, and major planets during the giant branch phases of evolution dictate the preponderance and observability of the eventual debris, which have been found to…
The effect of grain boundaries and wrinkles on the electrical properties of polycrystalline graphene is pronounced. Here we investigate the stitching between grains of polycrystalline graphene, specifically, overlapping of layers at the…
A polycrystalline graphene consists of perfect domains tilted at angle {\alpha} to each other and separated by the grain boundaries (GB). These nearly one-dimensional regions consist in turn of elementary topological defects, 5-pentagons…
Constant-pressure constant-temperature {\it ab initio} molecular dynamics simulations at high temperatures have been used to study MgSiO$_3$ liquid, the major constituent of the Earth's lower mantle to conditions of the Earth's core-mantle…
We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account…