Ab initio modeling of dislocation core properties in metals and semiconductors

D Rodney, L Ventelon, E Clouet, L Pizzagalli… - Acta Materialia, 2017 - Elsevier
Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number
of properties such as dislocation mobility, cross-slip and short-range interactions with other …

Growth twins and deformation twins in metals

IJ Beyerlein, X Zhang, A Misra - Annual Review of Materials …, 2014 - annualreviews.org
This article reviews recent basic research on two classes of twins: growth twins and
deformation twins. We focus primarily on studies that aim to understand, via experiments …

Analytic model of dislocation density evolution in fcc polycrystals accounting for dislocation generation, storage, and dynamic recovery mechanisms

A Hunter, DL Preston - International Journal of Plasticity, 2022 - Elsevier
An analytic model of the evolution of dislocation density in fcc polycrystals is described. The
evolution equations approximately account for most known dislocation storage, dynamic …

Influence of lattice distortion on stacking fault energies of CoCrFeNi and Al-CoCrFeNi high entropy alloys

S Qiu, XC Zhang, J Zhou, S Cao, H Yu, QM Hu… - Journal of Alloys and …, 2020 - Elsevier
The stacking fault energy (SFE) plays an important role in the deformation mode selection
and consequently the mechanical properties of high entropy alloys. In the present work, the …

Effects of the stacking fault energy fluctuations on the strengthening of alloys

Y Zeng, X Cai, M Koslowski - Acta Materialia, 2019 - Elsevier
In alloys and high entropy alloys the stacking fault energy varies with the local composition.
The effects of these energy fluctuations on the strengthening are studied using dislocation …

Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals

Y Su, S Xu, IJ Beyerlein - Journal of Applied Physics, 2019 - pubs.aip.org
In this work, we use density functional theory to calculate the entire generalized stacking
fault energy (GSFE) surface for eight transition metals with a face-centered cubic structure …

Atomistic phase field chemomechanical modeling of dislocation-solute-precipitate interaction in Ni–Al–Co

JR Mianroodi, P Shanthraj, P Kontis, J Cormier, B Gault… - Acta Materialia, 2019 - Elsevier
Dislocation-precipitate interaction and solute segregation play important roles in controlling
the mechanical behavior of Ni-based superalloys at high temperature. In particular, the …

Understanding dislocation mechanics at the mesoscale using phase field dislocation dynamics

IJ Beyerlein, A Hunter - Philosophical Transactions of the …, 2016 - royalsocietypublishing.org
In this paper, we discuss the formulation, recent developments and findings obtained from a
mesoscale mechanics technique called phase field dislocation dynamics (PFDD). We begin …

A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

Y Zeng, A Hunter, IJ Beyerlein, M Koslowski - International Journal of …, 2016 - Elsevier
In this work, we present a phase field dislocation dynamics formulation designed to treat a
system comprised of two materials differing in moduli and lattice parameters that meet at a …

The core structure of dislocations and their relationship to the material γ-surface

A Hunter, RF Zhang, IJ Beyerlein - Journal of Applied Physics, 2014 - pubs.aip.org
Using a density functional theory-phase field dislocation dynamics model, we reveal a
strong inverse relationship between the dislocation equilibrium core width and the …