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William Curtin

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Publications associées (153)

A model for cellular mechanotransduction and contractility at finite strain

William Curtin, Mahmut Selman Sakar, Nikolaos Bouklas

In this work we introduce a theoretical and computational modeling framework for the contractile response of single cells triggered by external mechanical stimuli. The structural response due to the formation and dissociation of stress fibers is modeled fo ...

2018

A model for cellular mechanotransduction and contractility at finite strain

William Curtin, Mahmut Selman Sakar, Nikolaos Bouklas

2018

Neural network potential for Al-Mg-Si alloys

Till Junge, William Curtin, Michele Ceriotti, Daniele Giofré

The 6000 series Al alloys, which include a few percent of Mg and Si, are important in automotive and aviation industries because of their low weight, as compared to steels, and the fact their strength can be greatly improved through engineered precipitatio ...

Amer Physical Soc2017

The austenite/lath martensite interface in steels: Structure, athermal motion, and in-situ transformation strain revealed by simulation and theory

William Curtin, Francesco Maresca

The austenite/martensite (fcc/bcc) interface is prevalent across many new classes of high-strength steels, and yet both its fundamental structure and its mechanism of motion remain uncertain in spite of decades of research. Here, atomistic simulations are ...

2017

Solute strengthening in random alloys

William Curtin, Céline Varvenne, Maryam Ghazisaeidi

Random solid solution alloys are a broad class of materials that are used across the entire spectrum of engineering metals, whether as stand-alone materials (e.g. Al-57xxx alloys) or as the matrix in precipitate strengthening materials (e.g. Ni-based super ...

Elsevier2017

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

Seyed Mostafa Khosrownejad, William Curtin

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

The X-Mechanics toolbox to solve Y-Mechanics problems

William Curtin

The philosophy of "X-Mechanics" is introduced, and a few examples of its application by the author and collaborators to study "Y-Mechanics" problems are presented. ...

Elsevier Science Bv2017

Softening and hardening of yield stress by hydrogen–solute interactions

William Curtin, Ali Tehranchi, Binglun Yin

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

First-principles calculations of stacking fault energies in Mg-Y, Mg-Al and Mg-Zn alloys and implications for < c plus a > activity

William Curtin, Zhaoxuan Wu, Binglun Yin

Mg-3wt.%RE alloys show substantially enhanced < c + a > activity as compared to pure Mg or other Mg-Al, Mg-Zn alloys of similar grain sizes. Activation of < c + a > slip has been postulated to be associated with the reduction of the basal Li stacking fault ...

Pergamon-Elsevier Science Ltd2017

Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)

William Curtin, Michael Frederick Francis

Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction e ...

Amer Chemical Soc2017

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

Strengthening of high entropy alloys by dilute solute additions: CoCrFeNiAlx and CoCrFeNiMnAlx alloys

William Curtin, Céline Varvenne

A theory to predict the initial flow stress of an arbitrary N-component fcc random alloy is extended to predict the additional strengthening when a dilute concentration of a substitutional element is introduced. Assuming properties for the N-component allo ...

2017

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

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

Till Junge, William Curtin, Michele Ceriotti, 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

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

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

William Curtin, Zhaoxuan Wu, 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

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

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

Elastic Effects in Adsorbate-Adsorbate Interactions of C and S on a Stepped Ru Surface

William Curtin, Michael Frederick Francis

We examine strain modification of adsorbate adsorbate inter- action in the (C*+S*)/fcc-Ru(211) system for relevance to biomass to hydrocarbon catalysis and the broader case of interaction changes under strain. Applied biaxial strains from -3% to +3% shift ...

Amer Chemical Soc2017

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

Andreas Mortensen, Csilla Mikó, Jérôme Krebs, William Curtin, 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

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