Related papers: Diffuse-interface polycrystal plasticity: Expressi…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…
Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice. To facilitate the discovery of stable material, we present…
Mesoscale objects with unusual structural features may serve as the analogues of atoms in the design of larger-scale materials with novel optical, electronic or mechanical behaviour. In this paper we investigate the structural features and…
Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…
This work rigorously implements a recent model of large-strain elasto-plastic evolution in single crystals where the plastic flow is driven by the movement of discrete dislocation lines. The model is geometrically and elastically nonlinear,…
The existence of a well defined yield stress, where a macroscopic piece of crystal begins to plastically flow, has been one of the basic observations of materials science. In contrast to macroscopic samples, in micro- and nanocrystals the…
Size-dependence of plastic flow is studied by discrete dislocation dynamical simulation of systems with various numbers of interacting linear edge dislocations while the stress is slowly increased. Regions between avalanches in the…
Plastic deformation in microscale differs from the macroscopic plasticity in two respects: (i) the flow stress of small samples depends on their size (ii) the scatter of plasticity increases significantly. In this work we focus on the…
Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…
The plasticity transition at the yield strength of a crystal typically signifies the tendency of dislocation defects towards relatively unrestricted motion. For an isolated dislocation the motion is in the slip plane with velocity…
A variational modeling framework for hydraulically induced fracturing of elastic-plastic solids is developed in the present work. The developed variational structure provides a global minimization problem. While fracture propagation is…
This paper introduces a new structural phase field crystal (PFC) type model that expands the PFC methodology to a wider class of structurally complex crystal structures than previously possible. Specifically, our new approach allows for…
The kinetics of interfaces in alloy solidification pose a classic free boundary problem. This paper introduces an approach that amalgamates the distinctive characteristics of sharp and diffuse interface models. The motion of the diffuse…
Crystalline materials exhibit an hysteresis behaviour when deformed cyclically. The origins of this tension-compression asymmetry have been fully understood only recently as being caused by an asymmetry in the junction strength and a…
Micron-scale single crystalline materials deform plastically via large intermittent strain bursts that make the deformation process unpredictable. Here we investigate this stochastic phenomenon by analysing the plastic response of an…
The geometric state of a flat boundary is frequently described using the so-called macroscopic parameters. They are a principal tool for dealing with interfaces at the continuous scale. The paper describes a new method for macroscopic…
A free material surface which supports surface diffusion becomes unstable when put under external non-hydrostatic stress. Since the chemical potential on a stressed surface is larger inside an indentation, small shape fluctuations develop…
In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent)…
A comprehensive overview is given of the literature on slip transmission criteria for grain boundaries in metals, with a focus on slip system and grain boundary orientation. Much of this extensive literature has been informed by…