Related papers: Grain boundary melting in ice
There are still debates regarding the mechanisms that lead to hot cracking in parts build by additive manufacturing (AM) of non-weldable Ni-based superalloys. This lack of in-depth understanding of the root causes of hot cracking is an…
Atomic-scale simulations are performed to study the effect of solute segregation on the shear-induced motion of select grain boundaries in the classical $\alpha$-Fe/C system. At shear rates larger than the solute diffusion rate, we observe…
Solute segregation at grain boundaries (GBs) of polycrystals strongly impacts the mechanical properties of metals including strength, fracture, embrittlement, and corrosion. However, the complexity of GB structures and the large chemical…
Water ice has a strong spectral feature at a wavelength of approximately $3~\mu$m, which plays a vital role in our understanding of the icy universe. In this study, we investigate the scattering polarization of this water-ice feature. The…
The coagulation of dust particles under the conditions in protoplanetary disks is investigated. The study focuses on the repulsive electrostatic barrier against growth of charged dust grains. Taking into account the photoelectric effect…
Premelting at the ice-polymer interfaces, in which a quasi-liquid layer (QLL) forms below the melting point, is strongly influenced by polymer surface chemistry; however, the molecular-scale mechanisms underlying these effects remain poorly…
To investigate the barrier effect of grain boundaries on the propagation of avalanche-like plasticity at the atomic-scale, we perform three-dimensional molecular dynamics simulations by using simplified polycrystal models including…
Room temperature ferromagnetism was observed in In$_2$O$_3 thin films doped with 5 at.% vanadium, prepared by pulsed laser deposition at substrate temperatures ranging from 300 to 600 $\,^{\circ}{\rm C}$. X-ray absorption fine structure…
Strong room-temperature grain coarsening in gold films on polyimide induced by cyclic uniaxial mechanical strain is demonstrated. Detailed electron backscatter diffraction analysis revealed that, in contrast to the predictions of…
It was recently discovered that the temperature in the surface layer of externally heated optically thick gray dust clouds increases with the optical depth for some distance from the surface, as opposed to the normal decrease in temperature…
A discrete model and the regular solution approximation are applied to describe the effect of grain boundary motion on grain boundary phase transformations in a binary alloy. The model predicts all thermodynamic properties of the grain…
We examine the interaction between precipitates and grain boundaries, which undergo shear-coupled motion. The elastic problem, emerging from grain boundary perturbations and an elastic mismatch strain induced by the precipitates, is…
Grain boundary sliding is typically associated with high temperature deformation in engineering alloys. Here, we examine grain boundary sliding at room temperature in oxygen-free high-conductivity copper under quasi-static tensile testing.…
A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…
Grain boundaries control a wide variety of bulk properties in polycrystalline materials, so simulation methods like density functional theory are routinely used to study their structure-property relationships. A standard practice for such…
We report the observation of a premelting transition at chemically sharp solid-liquid interfaces using molecular-dynamics simulations. The transition is observed in the solid-Al/liquid-Pb system and involves the formation of a liquid…
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution of mobile point defects into so-called space-charge regions…
When a particle is placed in a material with a lower bulk melting temperature, intermolecular forces can lead to the existence of a premelted liquid film of the lower melting temperature material. Despite the system being below the melting…
Based on a model of the melting of Grain Boundary (GB), we discuss the possibility of the existence of superheated GB state. A Molecular Dynamics simulation presented here shows that the superheated GB state can realized in the high…
A disordered quasi-liquid layer of water is thought to cover the ice surface, but many issues, such as its onset temperature, its thickness, or its actual relation to bulk liquid water have been a matter of unsettled controversy for more…