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William Curtin

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Publications associées (146)

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Crack growth and fracture toughness of amorphous Li-Si anodes: Mechanisms and role of charging/discharging studied by atomistic simulations

William Curtin, Seyed Mostafa Khosrownejad

Fracture is the main cause of degradation and capacity fading in lithiated silicon during cycling. Experiments on the fracture of lithiated silicon show conflicting results, and so mechanistic models can help interpret experiments and guide component desig ...

Elsevier2017

Potential routes to stronger carbon nanotube fibres via carbon ion irradiation and deposition

William Curtin

Fibres made from carbon nanotubes (CNTs) have not yet achieved strengths approaching that of individual CNTs. The problem is that load is not effectively transferred between the constituent, discontinuous CNTs. High energy irradiation has shown promise on ...

Elsevier2016

Crack tip blunting and cleavage under dynamic conditions

William Curtin

In structural materials with both brittle and ductile phases, cracks often initiate within the brittle phase and propagate dynamically towards the ductile phase. The macroscale, quasistatic toughness of the material thus depends on the outcome of this micr ...

Elsevier2016

Comprehensive first-principles study of stable stacking faults in hcp metals

William Curtin, Binglun Yin

The plastic deformation in hcp metals is complex, with the associated dislocation core structures and properties not well understood on many slip planes in most hcp metals. A first step in establishing the dislocation properties is to examine the stable st ...

Elsevier2017

A low-temperature prismatic slip instability in Mg understood using machine learning potentials

William Curtin, Xin Liu, Binglun Yin

Prismatic slip in magnesium at temperatures T

PERGAMON-ELSEVIER SCIENCE LTD2023

Effect of solute-solute interactions on strengthening of random alloys from dilute to high entropy alloys

William Curtin, Shankha Nag

The yield strength of random metal alloys, i.e. alloys with random occupation of the crystalline lattice sites by the elemental constituent atoms all considered as solutes, is primarily understood as controlled by solute/dislocation interactions. Solute-so ...

PERGAMON-ELSEVIER SCIENCE LTD2020

A decohesion pathway for hydrogen embrittlement in nickel: Mechanism and quantitative prediction

William Curtin, Xiaoqing Zhou, Ali Tehranchi

Hydrogen embrittlement (HE) is a ubiquitous and catastrophic mode of fracture in metals. Here, embrittlement is considered as an intrinsic ductile-brittle transition at the crack tip, where H at the crack tip can reduce the stress intensity K-Ic for cleava ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Multiscale diffusion method for simulations of long-time defect evolution with application to dislocation climb

William Curtin

In many problems of interest to materials scientists and engineers, the evolution of crystalline extended defects (dislocations, cracks, grain boundaries, interfaces, voids, precipitates) is controlled by the flow of point defects (interstitial/substitutio ...

Pergamon-Elsevier Science Ltd2016

Design strategy for controlled natural aging in Al-Mg-Si alloys

William Curtin

This study presents a design strategy for Al-Mg-Si alloys to control natural aging. Recently, trace addition of Sn was shown to suppress natural aging for up to two weeks, which was explained by the strong trapping of vacancies to Sn atoms. Here we explore ...

Pergamon-Elsevier Science Ltd2016

Energetics of dislocation transformations in hcp metals

William Curtin, Binglun Yin

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

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

William Curtin

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

Machine learning for metallurgy V: A neural-network potential for zirconium

William Curtin, Pandula Manura Liyanage

The mechanical performance-including deformation, fracture and radiation damage-of zirconium is determined at the atomic scale. With Zr and its alloys extensively used in the nuclear industry, understanding that atomic scale behavior is crucial. The defect ...

2022

Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K

William Curtin, Francesco Maresca

The body centered cubic (BCC) high entropy alloys (HEAs) MoNbTaW and MoNbTaVW show exceptional strength retention up to 1900K. The mechanistic origin of the retained strength is unknown yet is crucial for finding the best alloys across the immense space of ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Solute misfit and solute interaction effects on strengthening: A case study in AuNi

William Curtin, Binglun Yin, Shankha Nag

AuNi is a classic long-studied fcc alloy combining a very "large"atom (Au) and a very "small"atom (Ni), and the large atomic size misfits suggest very high strengthening. Here, AuNi is used as a model alloy for the testing of new strengthening theories in ...

2023

Atomistic-continuum coupling of random alloys

William Curtin, Till Junge, 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

Design of Ductile Rare-Earth-Free Magnesium Alloys

William Curtin, Binglun Yin, Rasool Ahmad

Pure Mg has low ductility due to a transition of < c+a > pyramidal dislocations to a sessile basal-oriented structure. Dilute alloying generally improves ductility. Enhancement of pyramidal cross-slip from the lower-energy pyramidal II plane to the higher- ...

SPRINGER INTERNATIONAL PUBLISHING AG2020

Theory of double-kink nucleation in dilute BCC alloys

William Curtin, Alireza Ghafarollahi

Yielding in pure BCC metals and dilute substitutional alloys occurs by double-kink nucleation and propagation along screw dislocations. At low temperatures, the yield stress is controlled by double-kink nucleation. Here, an analytical statistical model is ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Strain hardening in 2D discrete dislocation dynamics simulations: A new '2.5D' algorithm

William Curtin

The two-dimensional discrete dislocation dynamics (2D DD) method, consisting of parallel straight edge dislocations gliding on independent slip systems in a plane strain model of a crystal, is often used to study complicated boundary value problems in crys ...

Pergamon-Elsevier Science Ltd2016

Magnesium interatomic potential for simulating plasticity and fracture phenomena

William Curtin

Magnesium has multiple dislocation and twinning systems with starkly different properties, which make its plastic deformation strongly anisotropic and highly complex. Existing empirical interatomic potentials fail to capture the full scope of these propert ...

Institute of Physics2015

Ab initio Modelling of the Early Stages of Precipitation in Al-6000 Alloys

Michele Ceriotti, William Curtin, Till Junge, Daniele Giofré

Age hardening induced by the formation of (semi)-coherent precipitate phases is crucial for the processing and final properties of the widely used Al-6000 alloys. Early stages of precipitation are particularly important from the fundamental and technologic ...

Elsevier2017