Related papers: On the Temperature Dependence of Grain Boundary Mo…
Predicting the shape of grain boundaries is essential to control results of the growth of large graphene crystals. A global energy minimum search predicting the most stable final structure contradicts experimental observations. Here we…
A continuum grain boundary model is developed that uses experimentally measured grain boundary energy data as a function of misorientation to simulate idealized grain boundary evolution in a 1-D grain array. The model uses a continuum…
We investigate transport in a granular metallic system at large tunneling conductance between the grains. We show that at low temperatures, $T\leq g_T\delta $, where $\delta$ is the single mean energy level spacing in a grain, the coherent…
Previous research focused on two different mechanisms of microstructure stabilization in alloys: thermodynamic stabilization by reducing the grain boundary (GB) free energy and kinetic stabilization by suppressing the GB mobility by solute…
The glass transition temperature ($T_g$) of polymer thin films has been a subject of controversy in the last two decades. (Pseudo)thermodynamic determinations of $T_g$ generally suggest a significant depression, whereas the molecular…
In this paper we present the resistivity, the Seebeck effect, and the thermal conductivity measurements on a MgB2 sintered sample. Such transport properties highlight the role of the junctions between the grains to a different extent. In…
Molecular dynamics simulations are performed to study spatially heterogeneous dynamics in a model of viscous silica above and below the critical temperature of the mode coupling theory, $T_{MCT}$. Specifically, we follow the evolution of…
We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…
A curve shortening equation related to the evolution of grain boundaries is presented. This equation is derived from the grain boundary energy by applying the maximum dissipation principle. Gradient estimates and large time asymptotic…
This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…
Thermal stability of nanocrystalline multilayer thin film is of paramount importance as the applications often involve high temperature. Here we report on the layer instability phenomenon in binary polycrystalline thin film initiating from…
Grain boundaries (GBs) govern critical properties of polycrystals. Although significant advancements have been made in characterizing minimum energy GBs, real GBs are seldom found in such states, making it challenging to establish…
Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play an essential role in defining the materials properties across…
Mechanical properties of zirconia polycrystals decrease drastically at high temperature due to thermally activated grain boundary (GB) sliding, leading to plastic or even super-plastic deformation. As GB sliding is a source of energy…
Faceted grain boundaries can migrate in interesting and unexpected ways. For example, faceted {\Sigma}11 <110> tilt grain boundaries were observed to exhibit mobility values that could be strongly dependent on the direction of migration. In…
When a metal is loaded mechanically at high temperatures, i.e. above 300 $^o$C, its grain microstructure evolves due to multiple physical mechanisms. Two of which are the curvature-driven migration of the grain boundaries due to increased…
Understanding hydrogen-grain boundary (GB) interactions is critical to the analysis of hydrogen embrittlement in metals. This work presents a mesoscale fully kinetic model to investigate the effect of GB misorientation on hydrogen diffusion…
Size segregation in bedload transport is studied numerically with a coupled fluid-discrete element model. Starting from an initial deposit of small spherical particles on top of a large particle bed, the segregation dynamics of the bed is…
A formula of grain growth rate, based on a nonlinear capillarity-driven relation, is derived to predict and interpret realistic growth processes in polycrystalline systems. The derived formula reveals how the growth and stagnation of grains…
Grain growth in polycrystals typically stagnates at long times. We identify disconnection climb, limited by vacancy diffusion, as a fundamental microscopic mechanism underlying this behavior. Using a phase-field crystal framework extended…