Related papers: Grain-resolved kinetics and rotation during grain …
In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…
Primary {\gamma}' phase instead of carbides and borides plays an important role in suppressing grain growth during solution at 1433K of FGH98 nickel-based polycrystalline alloys. Results illustrate that as-fabricated FGH98 has equiaxed…
The dynamics of quasicrystal growth remains an unsolved problem in condensed matter. By means of synchrotron live imaging, facetted growth proceeding by the tangential motion of ledges at the solid-melt interface is clearly evidenced all…
Surface phenomena are increasingly becoming important in exploring nanoscale materials growth and characterization. Consequently, the need for atomistic based simulations is increasing. Nevertheless, relying entirely on quantum mechanical…
Mixing grains with different properties is a remarkably challenging process, relevant to many industrial applications. Rotating drums have been used extensively as model systems to study granular media flow and mixing and segregation.…
Abnormal grain growth in the presence of second phase particles is investigated with the help of a two-dimensional Monte Carlo simulation. An aggregate of equiaxed grains is considered with constant grain boundary energy and mobility. The…
Recent grain growth experiments have revealed that the same type of grain boundary can have very different mobilities depending on its local microstructure. In this work, we use molecular dynamics simulations to quantify uncertainty in the…
We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…
Polycrystalline materials undergoing coarsening can be represented as evolving networks of grain boundaries, whose statistical characteristics determine macroscopic materials properties. The process of formation of various statistical…
A generalized understanding of protein dynamics is an unsolved scientific problem, the solution of which is critical to the interpretation of the structure-function relationships that govern essential biological processes. Here, we approach…
Grain growth has a definitive impact on the quality of transparent sintered materials in areas such as ballistics, biomaterials, jewelry, etc. Controlling the sintering trajectory at the precise moment of final stage sintering is one of the…
Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball milled, sputter deposited, and…
We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element…
Ultra-nanocrystalline diamond is a polycrystalline material, having crystalline diamond grains of sizes in the nanometer regime. We study the structure and mechanical properties of this material as a function of the average grain size,…
Paramagnetic alignment of fractal suprathermally rotating grains is discussed. It is shown that if the concentration of H$_{2}$formation sites is low and resurfacing is active, fractal structure of grains enhances their alignment. Studying…
Grain boundaries are thermodynamically unstable. Hence, their properties should be path-dependent: grain boundaries in nanocrystals prepared using different methods might exhibit different properties. Using molecular dynamics simulations,…
Grain growth fundamentally shapes the microstructure of crystalline materials upon annealing, affecting their overall mechanical and functional properties. Recently, it has been rationalized that grain growth in polycrystals does not result…
Grain growth in polycrystals is one of the principal mechanisms that take place during heat treatment of metallic components. This work treats an aspect of the anisotropic grain growth problem. By applying the first principles of…
Strengthening by grain refinement via the Hall-Petch mechanism and softening by nanograin formation via the inverse Hall-Petch mechanism have been the subject of argument for decades, particularly for ultrafine-grained materials. In this…
Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…