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Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

Publications associées (47)

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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

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

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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

Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

William Curtin, Céline Varvenne, Satish I Rao

Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2(111) dislocations in a randomly-distributed model-BCC Co16.67Fe36.67Ni16.67Ti30 alloy. Core structure variations along an individual dislocation li ...

Elsevier2017

Dislocation cross-slip in fcc solid solution alloys

William Curtin, Wolfram Georg Nöhring

Cross-slip is a fundamental process of screw dislocation motion and plays an important role in the evolution of work hardening and dislocation structuring in metals. Cross-slip has been widely studied in pure FCC metals but rarely in FCC solid solutions. H ...

2017

Atomistic mechanisms of hydrogen embrittlement

Ali Tehranchi

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

The macroscopic strength of metals is determined by the dislocation arrangements that are formed when dislocations slip in the crystal lattice in response to the applied stress. Despite the extensive research carried out, the transition from uniform to non ...

EPFL2016

Mechanism and energetics of < c plus a > dislocation cross-slip in hcp metals

William Curtin, Zhaoxuan Wu

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant compl ...

National Academy of Sciences2016

Metal fatigue during cyclic loading puts an endurance limit on most of today's technology. It impacts the reliability of metallic components used for transportation, electronic devices and energy production because fatigue failure can occur without any app ...

EPFL2016

Energetics of dislocation transformations in hcp metals

William Curtin, Binglun Yin, Zhaoxuan Wu

Dislocation core structures of hcp metals are highly complex and differ significantly among the hcp family. Some dislocations undergo unconventional transformations that have significant effects on the material plastic flow. Here, the energetics of disloca ...

Elsevier2016