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William Curtin

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Publications associées (146)

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Model for charge/discharge-rate-dependent plastic flow in amorphous battery materials

William Curtin, Seyed Mostafa Khosrownejad

Plastic flow is an important mechanism for relaxing stresses that develop due to swelling/shrinkage during charging/discharging of battery materials. Amorphous high-storage capacity Li-Si has lower flow stresses than crystalline materials but there is evid ...

Pergamon-Elsevier Science Ltd2016

Intrinsic fracture behavior of Mg-Y alloys

William Curtin, Eleanor Yi Kei Mak

Pure magnesium (Mg) is an attractive metal for structural applications due to its low density, but also has low ductility and low fracture toughness. Dilute alloying of Mg with rare earth elements in small amounts improves the ductility, but the effects of ...

2020

A New Mechanism for Twin Growth in Mg Alloys

William Curtin, Aitor Luque Gomez

Twinning is an important deformation mode in lightweight Mg alloys, but the mechanisms of nucleation and growth of twins and their interactions with solutes remain largely unresolved. Here, a new model for thermally-activated, stress-driven growth of twin ...

Elsevier2014

Friedel vs. Labusch: the strong/weak pinning transition in solute strengthened metals

William Curtin

Solute strengthening in substitutional alloys can be classified into two categories, strong-pinning (Friedel) and weak-pinning (Labusch), each with its own characteristic scaling with concentration and temperature. The transition between the two strengthen ...

Taylor & Francis2013

New theory for. Mode I crack-tip dislocation emission

William Curtin, Predrag Andric

A material is intrinsically ductile under Mode I loading when the critical stress intensity K-Ie for dislocation emission is lower than the critical stress intensity K-Ic for cleavage. K-Ie is usually evaluated using the approximate Rice theory, which pred ...

2017

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

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

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

Hydrogen–vacancy–dislocation interactions in α-Fe

William Curtin, Ali Tehranchi

Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Quantum- ...

Institute of Physics2016

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

William Curtin, Fabio Pavia

Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing ...

Iop Publishing Ltd2015

Thermally activated plastic flow in the presence of multiple obstacle types

William Curtin

The rate- and temperature-dependent plastic flow in a material containing two types of thermally activatable obstacles to dislocation motion is studied both numerically and theoretically in a regime of relative obstacle densities for which the zero-tempera ...

Iop Publishing Ltd2012

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

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 study of hydrogen embrittlement of grain boundaries in nickel: I. Fracture

William Curtin, Ali Tehranchi

Hydrogen ingress into a metal is a persistent source of embrittlement. Fracture surfaces are often intergranular, suggesting favorable cleave crack growth along grain boundaries (GBs) as one driver for embrittlement. Here, atomistic simulations are used to ...

Elsevier2017

Quantum-to-continuum prediction of ductility loss in aluminium-magnesium alloys due to dynamic strain aging

William Curtin

Negative strain-rate sensitivity due to dynamic strain aging in Aluminium-5XXX alloys leads to reduced ductility and plastic instabilities at room temperature, inhibiting application of these alloys in many forming processes. Here a hierarchical multiscale ...

Nature Publishing Group2014

Deformation modes in magnesium (0001) and (0 1 -1 1) single crystals: simulations versus experiments

William Curtin, Aitor Luque Gomez

Magnesium is an excellent candidate as lightweight structural material, but has strong plastic anisotropy, and the activation of, operation of, and competition between different slip and twinning systems remain active areas of research. Here, the nucleatio ...

Institute of Physics2013

Atomistic study of hydrogen embrittlement of grain boundaries in nickel: II. Decohesion

William Curtin, Ali Tehranchi

Atomistic simulations of bicrystal samples containing a grain boundary are used to examine the effect of hydrogen atoms on the nucleation of intergranular cracks in Ni. Specifically, the theoretical strength is obtained by rigid separation of the two cryst ...

Institute of Physics2017

First principles study of the effect of hydrogen in austenitic stainless steels and high entropy alloys

William Curtin, Xiao Zhou

Hydrogen (H) embrittlement in multicomponent austenitic alloys is a serious limitation to their application in many environments. Recent experiments show that the High-Entropy Alloy (HEA) CoCrFeMnNi absorbs more H than 304 Stainless Steel but is less prone ...

2020

Modeling peak-aged precipitate strengthening in Al–Mg–Si alloys

William Curtin, Yi Hu

Strengthening by needle-shaped precipitates is critical in Al–Mg–Si alloys. Here, the strengthening is studied computationally at the peak-aged condition where precipitate shearing and Orowan looping are usually considered to have equal strengths. Pseudo-r ...

2021

Analysis of spurious image forces in atomistic simulations of dislocations

William Curtin

Molecular dynamics simulations of dislocation/obstacle interactions are enhancing our physical understanding of plasticity. However, despite increasing computational power, the interaction between simulation cell boundaries and the long ranged fields of di ...

Institute of Physics2015