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A threshold dynamics model of grain growth that accounts for the anisotropy in the grain boundary energy has been used to simulate experimentally observed grain growth of polycrystalline Ni. The simulation reproduces several aspects of the…
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…
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 explore the effects of surface tension and mobility models in simulations of grain growth using threshold dynamics algorithms that allow performing large scale simulations, while naturally capturing the Herring angle condition at…
Grain boundary (GB) migration plays a crucial role in the thermal and mechanical responses of polycrystalline materials, particularly in ultrafine-grained and nano-grained materials exhibiting grain size-dependent properties. This study…
In this work, we investigate the shape evolution of rotated, embedded, initially cylindrical grains (with [001] cylinder axis) in Ni under an applied synthetic driving force via molecular dynamics simulations and a continuum,…
Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play a crucial role in determining the grain structure and defining the…
Grain growth in polycrystals is traditionally considered a capillarity-driven process, where grain boundaries (GBs) migrate toward their centers of curvature (i.e., mean curvature flow) with a velocity proportional to the local curvature…
High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…
Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…
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,…
Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…
Conventional grain growth is rate-limited by the mobility of grain boundary. To describe similar phenomena limited by the mobility of other grain junctions, we have developed a general theory allowing for size-dependent mobility and its…
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,…
Dislocation dynamics simulation is used to investigate the effect of grain size and grain shape on the flow stress in model copper grains. We consider grains of 1.25-10 $\mu$m size, three orientations (<135>, <100> and <111>) and three…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
We study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…
We study kinetic theories for isotropic, two-dimensional grain boundary networks which evolve by curvature flow. The number densities $f_s(x,t)$ for $s$-sided grains, $s =1,2,\ldots$, of area $x$ at time $t$, are modeled by kinetic…
We present an experimental study of the compaction dynamics for two-dimensional anisotropic granular systems. Compaction dynamics is measured at three different scales : (i) the macroscopic scale through the packing fraction $\rho$, (ii)…
Grain rotation and grain boundary (GB) sliding are two important mechanisms for grain coarsening and plastic deformation in nanocrystalline materials. They are in general coupled with GB migration and the resulting dynamics, driven by…