Home

Person

William Curtin

About
Privacy
Disclaimer

Graph Chatbot

Related publications (146)

Page 6 of 8

First-principles core structures of < c+a > edge and screw dislocations in Mg

William Curtin

The core structures of < c + a > edge and screw dislocations in Mg are computed using density functional theory (DFT). Both types dissociate into two 1/2 < c + a > partials on the second-order pyramidal planes. These DFT results are then allowed to relax w ...

Elsevier2014

Machine learning for metallurgy II. A neural-network potential for magnesium

William Curtin, Binglun Yin, Eleanor Yi Kei Mak, Markus Anthony Stricker

Interatomic potentials are essential for studying fundamental mechanisms of deformation and failure in metals and alloys because the relevant defects (dislocations, cracks, etc.) are far above the scales accessible to first-principles studies. Existing pot ...

2020

Machine-learned interatomic potentials: Recent developments and prospective applications

William Curtin

High-throughput generation of large and consistent ab initio data combined with advanced machine-learning techniques are enabling the creation of interatomic potentials of near ab initio quality. This capability has the potential of dramatically impacting ...

Springer Heidelberg2023

Theory-guided design of high-strength, high-melting point, ductile, low-density, single-phase BCC high entropy alloys

William Curtin, Christian Leinenbach, Carolina Baruffi, You Rao

The search for new high-temperature alloys that can enable higher-efficiency/lower-emissions power generation has accelerated with the discovery of body-centered cubic (bcc) refractory High Entropy Alloys (HEAs). These many-component, non-dilute alloys in ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Solute strengthening of twinning dislocations in Mg alloys

William Curtin

Solute strengthening of twin dislocation motion along an existing twin boundary in Mg–X (X = Al, Zn) is investigated using a new Labusch-type weak pinning model. First, the View the MathML source(101¯2) twinning dislocation structure is computed using firs ...

Elsevier2014

Design using randomness: a new dimension for metallurgy

William Curtin

High entropy alloys add a new dimension, atomic-scale randomness and the associated scale-dependent composition fluctuations, to the traditional metallurgical axes of time-temperature-composition-microstructure. Alloy performance is controlled by the energ ...

2020

Strengthening of edge prism dislocations in Mg-Zn by cross-core diffusion

William Curtin, Masoud Rahbarniazi

The activation of prismatic slip in Mg and its alloys can be beneficial for deformation and forming. Experiments show that addition of Zn and Al solutes have a softening effect at/below room temperature, attributed to solutes facilitating basal-prism-basal ...

2024

Molecular modeling of cracks at interfaces in nanoceramic composites

William Curtin, Fabio Pavia

Toughness in Ceramic Matrix Composites (CMCs) is achieved if crack deflection can occur at the fiber/matrix interface, preventing crack penetration into the fiber and enabling energy-dissipating fiber pullout. To investigate toughening in nanoscale CMCs, d ...

Elsevier2013

Screw vs. edge dislocation strengthening in body-centered-cubic high entrophy alloys and implications for guided alloy design

William Curtin, Francesco Maresca, Carolina Baruffi

Body-centered-cubic (BCC) high entropy alloys (HEAs) can show exceptionally high strength up to high temperatures. Mechanistic theories are needed to guide alloy discovery within the immense multicomponent HEA compositional space. Here, two new theories fo ...

SPRINGER HEIDELBERG2022

Investigation of crack tip dislocation emission in aluminum using multiscale molecular dynamics simulation and continuum modeling

William Curtin

This work investigates the dislocation nucleation processes that occur at the tip of a crack in aluminum under a broad range of crystallographic orientations and temperatures. A concurrent multiscale molecular dynamics - continuum simulation framework is e ...

Elsevier2014

Mechanism of thermally-activated prismatic slip in Mg

William Curtin, Xin Liu

Prismatic slip of the screw dislocation in magnesium at temperatures greater than or similar to 150 K is understood to be governed by double-cross-slip of the stable basal screw through the unstable prism screw and back to the basal screw, with the activat ...

2023

Analysis of the flexible boundary condition method

William Curtin, Ankit Gupta

The flexible boundary condition method (FBCM) is a well-established method for the efficient study of complex non-linear atomistic defects while avoiding finite-size effects. The method uses lattice Green's functions (LGFs) to effectively embed an atomisti ...

IOP PUBLISHING LTD2021

Progress and challenges in the theory and modeling of complex concentrared alloys

William Curtin, Satish I Rao

The high atomic-scale complexity inherent in the aptly named complex concentrated alloys, or high entropy alloys, presents unique challenges in understanding (1) the structure and motion of defects that control mechanical properties and (2) the thermodynam ...

SPRINGER HEIDELBERG2022

The origins of high hardening and low ductility in magnesium

William Curtin

Magnesium is a lightweight structural metal but it exhibits low ductility-connected with unusual, mechanistically unexplained, dislocation and plasticity phenomena-which makes it difficult to form and use in energy-saving lightweight structures. We employ ...

Nature Publishing Group2015

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, 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

Modeling, Design, and Development of Soft Pneumatic Actuators with Finite Element Method

Philip Arthur Moseley, William Curtin, Jamie Paik, Harshal Arun Sonar, Gunjan Agarwal, Juan Manuel Florez Marin

This work presents a comprehensive open-source simulation and design tool for Soft pneumatic actuators (SPAs) using finite element method, compatible and extensible to a diverse range of soft materials and design parameters. Thorough characterization of th ...

Wiley-Blackwell2016

An interatomic pair potential with tunable intrinsic ductility

William Curtin

A family of interatomic potentials is constructed for which the intrinsic ductility can be tuned systematically. Specifically, the elastic constants and critical energy release rate for Griffith cleavage, G(Ic), are held constant, while the critical energy ...

Institute of Physics2016

Mechanisms of hydrogen-enhanced localized plasticity: An atomistic study using alpha-Fe as a model system

William Curtin

Atomistic simulations of the effects of H on edge dislocation mobility and pile-ups are performed to investigate possible nanoscale mechanisms for hydrogen-enhanced localized plasticity (HELP). alpha-Fe is used as a model system because H diffusion is fast ...

Elsevier2014

Theory of strengthening in fcc high entropy alloys

William Curtin, Céline Varvenne

High Entropy Alloys (HEAs) are a new class of random alloys having impressive strength and toughness. Here, a mechanistic, parameter-free, and predictive theory for the temperature-, composition-, and strain-rate-dependence of the plastic yield strength of ...

Pergamon-Elsevier Science Ltd2016

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

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

2018