Related papers: Dislocation dynamics in Ni-based superalloys: Para…
This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…
Mn enrichment at dislocations in Fe-Mn alloys due to segregation and spinodal decomposition along the dislocation line is studied via modeling and experimental characterization. To model these phenomena, both finite-deformation microscopic…
Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…
In the present study, molecular dynamics (MD) simulations have been performed to understand the effect of nanowire size, temperature and strain rate on the variations in dislocation density and deformation mechanisms in $<$100$>$ Cu…
Multiscale modelling is a new paradigm that has emerged in recent times to study the well-known problem of the process-structure-property relationship in the area of materials science and engineering. For obtaining the desired performance…
This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…
In this paper, starting from the microscopic dynamics of isolated dislocations, we explain how to derive formally mean field models for the dynamics of dislocation densities. Essentially these models are tranport equations, coupled with the…
We capture the spatiotemporal velocity dynamics of dislocation avalanches in face-centered cubic (FCC) gold and body-centered cubic (BCC) niobium crystals by compression testing of cylindrical microcrystals. In niobium, avalanche…
The motion of line defects (dislocations) has been studied for over 60 years but the maximum speed at which they can move is unresolved. Recent models and atomistic simulations predict the existence of a limiting velocity of dislocation…
A novel semidiscrete Peierls-Nabarro model is introduced which can be used to study dislocation spreading at more than one slip planes, such as dislocation cross-slip and junctions. The strength of the model, when combined with ab initio…
In this article, we propose a concise theoretical framework based on mixed field-susceptibilities to describe the decay of magnetic dipoles induced by non--magnetic nanostructures. This approach is first illustrated in simple cases in which…
It is well known that grain boundaries (GBs) have a strong influence on mechanical properties of polycrystalline materials. Not as well-known is how different GBs interact with dislocations to influence dislocation movement. This work…
We consider the equation $$v_t=L_s v-W'(v)+\sigma_\epsilon(t,x) \quad {\mbox{ in }} (0,+\infty)\times\R,$$ where $L_s$ is an integro-differential operator of order $2s$, with $s\in(0,1)$, $W$ is a periodic potential, and $\sigma_\epsilon$…
Dislocation is one of the most critical and fundamental crystal defects that dominate the mechanical behavior of crystalline solids, however, a quantitative determination of its character and property in experiments is quite challenging and…
Digital image correlation (DIC) is a well-established, non-invasive technique for tracking and quantifying the deformation of mechanical samples under strain. While it provides an obvious way to observe incremental and aggregate…
The mobility of vacancies in alloys may limit dislocation climb. Using a combined density functional theory and kinetic Monte Carlo approach we investigate vacancy diffusion in Ni-Re, Ni-W, and Ni-Ta binary alloys up to 10 at.% solute…
A new analysis and new Molecular Dynamics (MD) simulations of the measurements of the mobility $\mu_{i}$ of O$_{2}^{-} $ ions in dense supercritical Ar gas are reported. $\mu_{i}$ shows a marked dependence on the distance from the critical…
The Ni-base superalloy 718 is the most widely used material for turbomachinery in the aerospace industry and land-based turbines. Although the relationship between processing and the resulting properties is well known, an understanding of…
We investigated the molecular dynamics of the prototypical deep eutectic solvent (DES) ethaline. We disentangled the different motions of its two constituents, namely choline chloride and ethylene glycol on a spatio-temporal range that…
The importance of accurate simulation of the plastic deformation of ductile metals to the design of structures and components is well-known. Many techniques exist that address the length scales relevant to deformation pro- cesses, including…