Related papers: Grain boundary stresses in elastic materials
Grain-boundary (GB) dynamics control the stability, mechanical, and functional response of nanocrystalline materials, but direct experimental access to their slow non-equilibrium motion has been limited. Here we establish X-ray photon…
Damage nucleation from repeated dislocation absorption at a grain boundary is simulated with molecular dynamics. At the grain boundary-dislocation intersection site, atomic shuffling events determine how the free volume brought by the…
Active matter, responsive ("smart") materials and materials under time-dependent load are systems out of thermal equilibrium. To construct coarse-grained models for such systems, one needs to integrate out a distribution of microstates that…
Solute segregation at grain boundaries (GBs) of polycrystals strongly impacts the mechanical properties of metals including strength, fracture, embrittlement, and corrosion. However, the complexity of GB structures and the large chemical…
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…
Anisotropy in the mechanical response of materials with microstructure is common and yet is difficult to assess and model. To construct accurate response models given only stress-strain data, we employ classical representation theory, novel…
We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…
Modelling the large deformation of hyperelastic solids under plane stress conditions for arbitrary compressible and nearly incompressible material models is challenging. This is in contrast to the case of full incompressibility where the…
Abnormal grain growth (AGG) influences the properties of polycrystalline materials; however, the underlying mechanisms, particularly the role of solute segregation at the grain boundary (GB), are difficult to quantify precisely. This study…
We study the impact of a projectile onto a bed of 3 mm grains immersed in an index-matched fluid. Specifically, we vary the amount of prestrain on the sample, strengthening the force chains within the system. We find this affects only 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…
Stress transmission in planar open-cell cellular solids is analysed using a recent theory developed for marginally rigid granular assemblies. This is made possible by constructing a one-to-one mapping between the two systems. General…
Grain boundaries (GB) profoundly influence the electrical properties of polycrystalline ionic solids. Yet, precise control of their transport characteristics has remained elusive, thereby limiting the performance of solid-state…
When a solid projectile impacts a granular target, it experiences a drag force and abruptly comes to rest as its momentum transfers to the grains. An empirical drag force law successfully describes the force experienced by the projectile,…
The spatial variability of stress fields resulting from polycrystalline aggregate calculations involving random grain geometry and crystal orientations is investigated. A periodogram-based method is proposed to identify the properties of…
We discuss the modelling of grain boundary dynamics within an amplitude equations description, which is derived from classical density functional theory or the phase field crystal model. The relation between the conditions for periodicity…
This paper proposes an elastic-gap free strain gradient crystal plasticity model that addresses dissipation caused by plastic slip gradient and grain boundary (GB) Burger tensor. The model involves splitting plastic slip gradient and GB…
Progress is reported on several questions that bedevil understanding of granular systems: (i) are the stress equations elliptic, parabolic or hyperbolic? (ii) how can the often-observed force chains be predicted from a first-principles…
Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely…
We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…