Related papers: Simulation of continuous dynamic recrystallization…
Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…
The anisotropy of wood within the radial-tangential (RT) growth plane has a major influence on the cracking behavior perpendicular to grain. Within the scope of this work, a two-dimensional discrete element model is developed, consisting of…
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…
High-shear methods have long been used in experiments to refine grain structures in metals, yet the underlying mechanisms remain elusive. We demonstrate a refinement process using molecular dynamic simulations of iron, wherein…
Very soft grain assemblies have unique shape-changing capabilities that allow them to be compressed far beyond the rigid jammed state by filling void spaces more effectively. However, accurately following the formation of these systems by…
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…
In this work we employ data-driven homogenization approaches to predict the particular mechanical evolution of polycrystalline aggregates with tens of individual crystals. In these oligocrystals the differences in stress response due to…
A clear understanding of the dynamic behavior of metals is critical for developing superior structural materials as well as for improving material processing techniques such as cold spray and shot peening. Using a high velocity (from 120…
Temperature fluctuations significantly affect microorganism growth and pest activities in grain pile, precise monitoring and forecasting temperature of stored grain are essential for maintaining the quality and safety of grain storage. This…
The inner regions of protoplanetary disks are host to the sublimation of dust grains, a process traditionally modeled using equilibrium thermodynamics. We demonstrate through ab-initio density functional theory (DFT) and kinetic Monte Carlo…
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…
Density-driven segregations, extensively studied in a simple rotating drum, are enriched with a wide range of underlying physics. Diverse symmetrical segregation patterns formed by mixing two types of dry mono-sized grains have been…
Granular materials are heterogenous grains in contact, which are ubiquitous in many scientific and engineering applications such as chemical engineering, fluid mechanics, geomechanics, pharmaceutics, and so on. Granular materials pose a…
To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…
Grain boundaries (GBs) in polycrystalline materials are powerful sinks for irradiation defects. While standard theories assume that the sink efficiency of a grain boundary is defined solely by its character before irradiation, recent…
Granular media surround us, comprising everything from the ground we walk on to the foods we eat. Owing to their ubiquity our ability to understand and predict the mechanical evolution of grains is not only of key scientific importance, but…
We present a quantitative benchmark of multiscale models for dendritic growth simulations. We focus on approaches based on phase-field, dendritic needle network, and grain envelope dynamics. As a first step, we focus on isothermal growth of…
The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…
The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms…
This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…