Publications by William Curtin

Related publications (146)

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

High entropy alloys: A focused review of mechanical properties and deformation mechanisms

William Curtin

The high-entropy alloy (HEA) concept was based on the idea that high mixing entropy can promote formation of stable single-phase microstructures. During the past 15 years, various alloy systems have been explored to identify HEA systems with improved prope ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Machine learning for metallurgy IV: A neural network potential for Al-Cu-Mg and Al-Cu-Mg-Zn

William Curtin, Daniel John Gilles Marchand

Most metallurgical properties, e.g., dislocation propagation, precipitate formation, can only be fully understood atomistically but most phenomena and quantities of interest cannot be measured experimentally. Accurate simulation methods are essential but f ...

2022

A ductility criterion for bcc high entropy alloys

William Curtin, Binglun Yin, Eleanor Yi Kei Mak

A current goal driving alloy development is the identification of alloy compositions for high temperature applications but with the additional requirement of sufficient ductility at ambient temperatures. Multicomponent, single-phase, polycrystalline High E ...

PERGAMON-ELSEVIER SCIENCE LTD2021

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

Assessment of phase-field-crystal concepts using long-time molecular dynamics

William Curtin

The ability of the phase-field-crystal (PFC) model to quantitatively predict atomistic defect structures in crystalline solids is addressed. First, general aspects of the PFC model are discussed within the context of obtaining quantitative results in solid ...

American Physical Society2015

Discrete dislocation modeling of fracture in plastically anisotropic metals

William Curtin

The intrinsic lattice resistance to dislocation motion, or Peierls stress, depends on the core structure of the dislocation and is one essential feature controlling plastic anisotropy in materials such as HCP Zn, Mg, and Ti. Here, we implement an anisotrop ...

Pergamon-Elsevier Science Ltd2013

Thermodynamic properties of average-atom interatomic potentials for alloys

William Curtin, Wolfram Georg Nöhring

The atomistic mechanisms of deformation in multicomponent random alloys are challenging to model because of their extensive structural and compositional disorder. For embedded-atom-method interatomic potentials, a formal averaging procedure can generate an ...

Institute of Physics2016

Giant hardening response in AlMgZn(Cu) alloys

William Curtin, Daniel John Gilles Marchand

This study presents a thermomechanical processing concept which is capable of exploiting the full industrial application potential of recently introduced AlMgZn(Cu) alloys. The beneficial linkage of alloy design and processing allows not only to satisfy th ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Solute strengthening from first principles and application to aluminum alloys

William Curtin

Alloys containing substitutional solutes exhibit strengthening due to favorable solute fluctuations within the alloy that hinder dislocation motion. Here, a quantitative, parameter-free model to predict the flow stress as a function of temperature and stra ...

2012

Solute-strengthening in elastically anisotropic fcc alloys

William Curtin, Shankha Nag, Céline Varvenne

Dislocation motion through a random alloy is impeded by its interactions with the compositional fluctuations intrinsic to the alloy, leading to strengthening. A recent theory predicts the strengthening as a function of the solute-dislocation interaction en ...

IOP PUBLISHING LTD2020

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

Screw-controlled strength of BCC non-dilute and high-entropy alloys

William Curtin, Alireza Ghafarollahi

The impressive mechanical properties of single phase BCC High Entropy Alloys (HEAs) has renewed interest in understanding the mechanisms controlling strength in BCC alloys. Theory and simulation of strengthening of screw dislocations in HEAs shows that scr ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Multiscale quantum/atomistic coupling using constrained density functional theory

William Curtin

Multiscale coupling of a quantum mechanical (QM) domain to a coarser-scale material description in a larger surrounding domain should yield forces and energies in the QM domain that are the same as would be achieved in a QM simulation of the entire system. ...

American Physical Society2013

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

Nicola Marzari, William Curtin, Francesco Maresca, Daniele Dragoni

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

Theory of screw dislocation strengthening in random BCC alloys from dilute to "High-Entropy" alloys

William Curtin, Francesco Maresca

Random body-centered-cubic (BCC) "High Entropy" alloys are a new class of alloys, some having high strength and good ductility at room temperature and some having exceptional high-temperature strength. There are no theories of strengthening of screw disloc ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Theory of kink migration in dilute BCC alloys

William Curtin, Alireza Ghafarollahi

Plastic deformation in elemental BCC metals and dilute alloys is controlled by the slower of the kink pair nucleation and kink migration processes along screw dislocations. In alloys nucleation is facilitated and migration inhibited, leading to a concentra ...

2021

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

Mechanism and Prediction of Hydrogen Embrittlement in fcc Stainless Steels and High Entropy Alloys

William Curtin, Xiao Zhou, Ali Tehranchi

The urgent need for clean energy coupled with the exceptional promise of hydrogen (H) as a clean fuel is driving development of new metals resistant to hydrogen embrittlement. Experiments on new fcc high entropy alloys present a paradox: these alloys absor ...

AMER PHYSICAL SOC2021

Robust atomistic calculation of dislocation line tension

William Curtin, Fabio Pavia

The line tension Gamma of a dislocation is an important and fundamental property ubiquitous to continuum scale models of metal plasticity. However, the precise value of Gamma in a given material has proven difficult to assess, with literature values encomp ...

Institute of Physics2015