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William Curtin

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Publications associées (153)

Atomistic-continuum coupling of random alloys

Till Junge, William Curtin, Shankha Nag

Random alloys are multicomponent systems where the atomic type on each lattice site is independent of the atom types on any other lattice site. The fluctuations in local atomic configurations inherent to the random alloy prevents the accurate application o ...

IOP PUBLISHING LTD2019

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-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy

William Curtin, Binglun Yin

High-entropy alloys are random alloys with five or more components, often near equi-composition, that often exhibit excellent mechanical properties. Guiding the design of new materials across the wide composition space requires an ability to compute necess ...

2019

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

Atomistic modeling of fracture

William Curtin, Predrag Andric

Atomistic modeling of fracture is intended to illuminate the complex response of atoms in the very high stressed region just ahead of a sharp crack. Accurate modeling of the atomic scale fracture is crucial for describing the intrinsic nature of a material ...

2019

The role of atomistic simulations in probing hydrogen effects on plasticity and embrittlement in metals

William Curtin, Ali Tehranchi

Atomistic simulations are a powerful complement to experimental probes for understanding the nanoscale processes associated with the effects of hydrogen (H) on plasticity and fracture that are the underlying causes of hydrogen embrittlement (HE). Current e ...

PERGAMON-ELSEVIER SCIENCE LTD2019

Correlation of microdistortions with misfit volumes in High Entropy Alloys

William Curtin

The yield strengths of High Entropy Alloys have recently been correlated with measured or computed picometer-scale atomic distortions. Here, the root mean square microdistortion in a multicomponent alloy is shown to be nearly proportional to the misfit-vol ...

PERGAMON-ELSEVIER SCIENCE LTD2019

New theory for crack-tip twinning in fcc metals

William Curtin, Predrag Andric

2018

Contribution of austenite-martensite transformation to deformability of advanced high strength steels: From atomistic mechanisms to microstructural response

William Curtin, Francesco Maresca

2018

Cross-slip of long dislocations in FCC solid solutions

William Curtin, Wolfram Georg Nöhring

2018

Mechanistic origin and prediction of enhanced ductility in magnesium alloys

William Curtin, Zhaoxuan Wu, Binglun Yin, Rasool Ahmad

American Association for the Advancement of Science2018

Modified embedded-atom method interatomic potential for Mg-Y alloys

William Curtin, Rasool Ahmad, Maryam Ghazisaeidi

2018

Pyramidal II to basal transformation of 'c plus a' edge dislocations in Mg-Y alloys

William Curtin, Zhaoxuan Wu, Rasool Ahmad

2018

Solute strengthening of basal slip in Mg alloys

William Curtin, Ali Tehranchi, Binglun Yin

2018

The Coupled Atomistic/Discrete-Dislocation method in 3d part I: Concept and algorithms

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

2018

The coupled atomistic/discrete-dislocation method in 3d. Part III: Dynamics of hybrid dislocations

Jean-François Molinari, Guillaume Anciaux, William Curtin, Jaehyun Cho

2018

Coupled atomistic/discrete dislocation method in 3D Part II: Validation of the method

Jean-François Molinari, Guillaume Anciaux, William Curtin, Max Ludwig Hodapp

2018

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

Nicola Marzari, William Curtin, Daniele Dragoni, Francesco Maresca

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

Thermal activation parameters of plastic flow reveal deformation mechanisms in the CrMnFeCoNi high-entropy alloy

Joël Bonneville, William Curtin, Céline Varvenne

To reveal the operating mechanisms of plastic deformation in an FCC high-entropy alloy, the activation volumes in CrMnFeCoNi have been measured as a function of plastic strain and temperature between 77 K and 423 K using repeated load relaxation experiment ...

2018

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

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