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Large scale 3-dimensional atomistic simulations of screw dislocations interacting with coherent twin boundaries in Al, Cu and Ni under uniaxial and multiaxial loading conditions

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Solute/screw dislocation interaction energy parameter for strengthening in bcc dilute to high entropy alloys

William Curtin, Francesco Maresca, Alireza Ghafarollahi

Strengthening, i.e. increased stress required to move a dislocation, in dilute or complex alloys arises from the totality of the interaction energies between the solutes and an individual dislocation. Prevailing theories for strengthening in bcc alloys con ...

IOP PUBLISHING LTD2019

A new variational line tension model for accurate evaluation of the stress effect on cross-slip energy barrier in face-centered cubic metals

Xiao Zhou, Hui Liu

The present work developed a new variational line tension model (LTM) that accounts for contributions from the local line energy, long-range interaction among dislocation segments, and interplay between dissociated partials. This new LTM has been shown to ...

2019

Dislocation Cross-Slip in Face-Centered Cubic Solid Solution Alloys

Wolfram Georg Nöhring

The mechanical strength of metals depends on their resistance against various microscopic deformation processes. In ductile metals, the most important process is shearing of the crystal lattice by dislocations. One of the fundamental aspects of dislocation ...

EPFL2018

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The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations, which in turn is determined by the atomic-scale screw dislocation core structure and the associated kink-pai ...

2018

Coupled Atomistics and Discrete Dislocations in 3d (CADD-3d)

Guillaume Anciaux

Capturing plasticity at realistic dislocation densities with high configurational complexity requires a continuum-level discrete dislocation dynamics (DDD) description. However, many features controlling dislocation motion are inherently atomistic, such as ...

2018

Coupled Atomistics and Discrete Dislocations in 3d (CADD-3d)

Jean-François Molinari, William Curtin, Guillaume Anciaux, Till Junge, Jaehyun Cho, Max Ludwig Hodapp

Capturing plasticity at realistic dislocation densities with high configurational complexity requires a continuum-leveldiscrete dislocation dynamics (DDD) description. However, many features controlling dislocation motion areinherently atomistic, such as t ...

2018

The detrimental effects of the H on the mechanical properties of the metals are known for more than a century. One of the most important degradation mechanisms is H embrittlement (HE). In this thesis, we examined a few famous proposed mechanisms in the fie ...

EPFL2017

In this work, molecular statics and molecular dynamics simulations of a/2 < 110 > dislocation behavior for a model FCC Co30Fe16.67Ni36.67Ti16.67 alloy are discussed. It is shown that the single FCC phase is elastically stable in this alloy. Local stacking ...

Elsevier2017

The performance of crystalline materials varies depending on the considered scale. To understand the size dependence of materials properties, the interaction and evolution of defects are essential. As such, the role played by dislocations is crucial for mo ...

EPFL2017

Softening and hardening of yield stress by hydrogen–solute interactions

William Curtin, Binglun Yin, Ali Tehranchi

Hydrogen atoms have a wide variety of effects on the mechanical performance of metals, and the underlying mechanisms associated with effects on plastic flow and embrittlement remain to be discovered or validated. Here, the reduction in the plastic flow str ...

Taylor & Francis2017