The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately, current experimental techniques are unable to track such evolution, due to limits on both spatial and temporal resolution. In this work, molecular dynamics s...

Zinc Sulphide particle in the nanometer size regime has been synthesized using chemical routes. The particles were capped using 2-mercaptoethanol to achieve the stability and avoid the coalescence. The as-obtained particles were characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM), UV–VIS absorption and photoluminescence (PL) spectra. The dielectric measurements of t...

Single crystals of Al2O3 were reproducibly grown from an MgO-doped polycrystalline precursor. The single crystals were grown through controlled abnormal grain growth at temperatures between 16701 and 19451C. It was observed that CaO impurities segregated to the boundary between the single crystal and the polycrystalline region, and formed a wetting intergranular film. This type of film is requi...

Grain boundary and surface segregation of Bi in Cu were investigated under identical conditions. Cu bicrystals containing deliberately made internal cavities at the interfaces were doped with Bi, annealed at different temperatures, and broken in an Auger microprobe. The segregation level at the free surfaces was found to be higher than that at grain boundaries. Grain-boundary and surface segreg...

A moving boundary problem, the so-called Stefan Problem, for the melting of ice is set up, then solved numerically using Matlab. Thereby curves for the position of the boundary between ice and water are produced. From these curves the melting time for a given layer thickness of ice/snow can be found. Furthermore, such curves are also presented when salt is added to the ice. It is seen that the ...

It is well known that grain boundary processes intercrystdline sliding and grain boundary migration make an important contribution to high temperature deformation of polycrystalline materials, particularly for metals. More recently, these processes have been correlated with the atomic structure of the boundaries. Our goal is to study sliding and migration of ice boundaries, with respect to temp...

The excess enthalpy and shear strain behavior of the β-Sn (101) grain boundary containing various amounts of Ag and Cu solute atoms was investigated using molecular simulation. An increase in either type of solute at the interface lowers the excess enthalpy of the grain boundary. The enthalpies of segregation for both solute types are computed as the slope of excess enthalpy of the grain bounda...

In this study, the grain boundary evolution of equiatomic CoCrFeMnNi, CoCrFeNi, and FeCoNi alloys after one-step recrystallization were investigated. The special boundary fraction and twin density of these alloys were evaluated by electron backscatter diffraction analysis. Among the three alloys tested, FeCoNi exhibited the highest special boundary fraction and twin density after one-step recry...