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William Curtin

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Publications associées (146)

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Theory of spontaneous grain boundary roughening in high entropy alloys

William Curtin, Carolina Baruffi

High Entropy Alloys (HEAs) are a new broad class of near-random solid solution alloys that can possess some impressive mechanical and physical properties including high stability against grain growth (i.e. low grain boundary (GB) mobility). Here, it is sho ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Intrinsic structural transitions of the pyramidal I 〈c+a〉 dislocation in magnesium

William Curtin

The stability of a mixed < c + a > dislocation on the pyramidal I plane in magnesium is studied using molecular dynamics simulations. The dislocation is metastable and undergoes a thermally-activated transition to either a sessile, basal-dissociated < c + ...

Elsevier2016

Origin of interface stress enhancement and compressive-to-tensile stress transition in immiscible nanomultilayers

William Curtin

Experiments on the intrinsic stress in immiscible Cu/W nanomultilayers (NMLs) show two unusual features: a compressive-to-tensile transition as a function of NML deposition conditions and extremely high interface stresses under both high- and low-pressure ...

2025

Atomistic dislocation core energies and calibration of non-singular discrete dislocation dynamics

William Curtin, Yi Hu

The total energy of an atomistic dislocation includes contributions from the inelastic/large-distortion 'core' region. Capturing this inelastic 'core' energy is important, especially for dislocations with a curvature in the 10–100 nm scale. Current impleme ...

2019

First-principles prediction of yield stress for basal slip in Mg-Al alloys

William Curtin

The finite-temperature yield stress of Mg-Al alloys undergoing basal slip is investigated using a recently developed parameter-free solute strengthening model. The model takes input from first-principles calculations of the dislocation/solute interaction e ...

Pergamon-Elsevier Science Ltd2012

Machine learning for metallurgy III: A neural network potential for Al-Mg-Si

Michele Ceriotti, William Curtin, Daniel John Gilles Marchand, Albert Johann Glensk, Abhinav Jain

High-strengthmetal alloys achieve their performance via careful control of the nucleation, growth, and kinetics of precipitation. Alloy mechanical properties are then controlled by atomic scale phenomena such as shearing of the precipitates by dislocations ...

2021

Rational design of fiber-reinforced hybrid composites: A global load sharing analysis

William Curtin

An analytical model based on global load sharing (GLS) theory is developed to guide design of fiber-reinforced hybrid composites with superior mechanical properties to single-fiber-type composites. The hybrid is assumed to comprise two types of fibers-low- ...

Elsevier2015

A theoretical quantification of the possible improvement in the mechanical properties of carbon nanotube bundles by carbon ion irradiation

William Curtin

Improvement of single wall carbon nanotube (CNT) bundle mechanical properties through carbon ion irradiation is investigated using molecular dynamics. Increased inter-tube shear and toughness properties through formation of inter-tube cross-links is balanc ...

Elsevier2013

Stress-dependence of generalized stacking fault energies

William Curtin, Binglun Yin, Predrag Andric

2019

Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys

William Curtin, Binglun Yin, Francesco Maresca

The element Vanadium (V) appears unique among alloying elements for providing high strengthening in both the fcc Co-Cr-Fe-Mn-Ni-V and bcc Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr high-entropy alloy families. The origin of Vanadium's special role is its atomic volume: larg ...

2020

Atomistic investigation of the influence of hydrogen on dislocation nucleation during nanoindentation in Ni and Pd

William Curtin, Xiao Zhou

The effects of hydrogen charging on the mechanical response of FCC Ni and Pd under nanoindentation are systematically investigated by molecular dynamics simulations. Simulations consider a random H distribution and time scales prevent any diffusion of H du ...

Elsevier2016

Predicting yield strengths of noble metal high entropy alloys

William Curtin, Céline Varvenne

Recent data on the Noble metal (Pd-Pt-Rh-Ir-Au-Ag-Cu-Ni) high entropy alloys (HEAs) shows some of these materials to have impressive mechanical properties. Here, a mechanistic theory for the temperature-, composition-, and strain-rate-dependence of the ini ...

2018

Cross-slip of long dislocations in FCC solid solutions

William Curtin, Wolfram Georg Nöhring

2018

The influence of lattice misfit on screw and edge dislocation-controlled solid solution strengthening in Mo-Ti alloys

William Curtin, Carolina Baruffi, You Rao

Mo-Ti alloys form solid solutions over a wide range of compositions, with lattice misfit parameters increasing significantly with titanium content. This indicates a strong increase in the critical stress for edge dislocation motion. Here, we probe the tran ...

SPRINGERNATURE2023

Cast aluminium single crystals cross the threshold from bulk to size-dependent stochastic plasticity

Andreas Mortensen, William Curtin, Jérôme Krebs, Csilla Mikó, Suzanne Godelieve Alphonsine Verheyden, Satish I Rao

Metals are known to exhibit mechanical behaviour at the nanoscale different to bulk samples. This transition typically initiates at the micrometre scale, yet existing techniques to produce micrometre-sized samples often introduce artefacts that can influen ...

Nature Publishing Group2017

Natural aging and vacancy trapping in Al-6xxx

William Curtin, Michele Ceriotti

Undesirable natural aging (NA) in Al-6xxx delays subsequent artificial aging (AA) but the size, composition, and evolution of clustering are challenging to measure. Here, atomistic details of early-stage clustering in Al-1% Mg-0.6%Si during NA are studied ...

Springer Heidelberg2023

Average-atom interatomic potential for random alloys

William Curtin, Céline Varvenne

An average-atom (A-atom) embedded-atom-method potential for random multicomponent alloys at any composition is derived analytically and validated by comparing A-atom and true random alloys bulk and defect properties, in model Fe-Ni-Cr systems. The A-atom c ...

Amer Physical Soc2016

Origin of high strength in the CoCrFeNiPd high-entropy alloy

William Curtin, Binglun Yin

IMPACT STATEMENT Experiments and theory are highlighting chemical ordering in high-entropy alloys (HEAs) as important for mechanical properties but the high strength in CoCrFeNiPd is predicted here to be achievable in the random alloy due to the large misf ...

2020

Brittle and ductile crack-tip behavior in magnesium

William Curtin

The competition between dislocation emission and cleavage at a crack tip plays an important role in governing the intrinsic fracture behavior of crystalline materials. This competition is not well understood in magnesium, which has many different combinati ...

Elsevier2015

Strength can be controlled by edge dislocations in refractory high-entropy alloys

William Curtin, Francesco Maresca

Energy efficiency is motivating the search for new high-temperature (high-T) metals. Some new body-centered-cubic (BCC) random multicomponent "high-entropy alloys (HEAs)" based on refractory elements (Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr) possess exceptional strengths ...

Nature Portfolio2021