Related papers: Grain boundary network plasticity: reduced-order m…
The gradient crystal plasticity framework of Wulfinghoff et al. [53] incorporating an equivalent plastic strain and grain boundary yielding, is extended with additional grain boundary hardening. By comparison to averaged results from many…
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…
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…
The movement of grain boundaries in pure metals and alloys with a low concentration of dislocations has been historically proved to follow curvature flow behavior. This mechanism is typically known as grain growth (GG). However, recent 3D…
Grain boundary (GB) diffusion in polycrystalline materials is a physical phenomenon of great fundamental interest and practical significance. Although the accelerated ("short circuit") atomic transport along GBs has been known for decades,…
We propose to incorporate grain boundary (GB) anisotropy in phase-field modeling by extending the standard partial differential equations formulation to include a nonlocal functional of an orientation field. Regardless of the number of…
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…
GB migration plays a central role in microstructural evolution. Many experiments and simulations have been conducted to clarify the relationships between GB velocity and various parameters to tailor GB networks. However, the complexity of…
Grain boundary plane distributions are widely used to infer the mechanisms governing grain boundary formation in polycrystalline materials. We show that such interpretations are inherently ambiguous. Using a unified eight-parameter boundary…
Rate of grain growth, which aides in achieving desired properties in polycrystalline materials, is conventionally estimated by measuring the size of grains and tracking its change in micrographs reflecting the temporal evolution. Techniques…
In Part I of this work, we proposed a stochastic model describing solute interactions with stationary and moving grain boundaries (GBs) and applied it to planar GBs in 1D systems. The model reproduces nonlinear GB dynamics, solute…
We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…
Grain boundary networks and their evolution are strongly influenced by triple junctions. The defect nature of these line defects significantly affects the properties of the network, but they have not been fully characterized to date. Here,…
The grain boundary (GB) microstructure influences and is influenced by the development of residual stresses during synthesis of polycrystalline thin films. Recent studies have shown that the frustration between the preferred growth…
The coupled mechanics of fluid-filled granular media controls the behavior of many natural systems such as saturated soils, fault gouge, and landslides. The grain motion and the fluid pressure influence each other: It is well established…
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 boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain boundaries and materials properties, systematic studies of…
The paper addresses the underlying source of two forms of induced anisotropy in granular materials: contact orientation anisotropy and contact force anisotropy. A rational, mathematical structure is reviewed for the manner in which fabric…
The structure and energy of grain boundaries (GBs) are essential for predicting the properties of polycrystalline materials. In this work, we use high-throughput density functional theory calculations workflow to construct the Grain…
We develop a model for sheared gouge layers that accounts for the local increase in temperature at the grain contacts during sliding. We use the shear transformation zone (STZ) theory, a statistical thermodynamic theory, to describe…