activity
20122026
most citedPhase Field Crystal Modeling as a Unified Atomistic Approach to Defect Dynamics

69 citations · 246 across the 10 of their papers we have counts for

collaborators

13 papers

cond-mat.mtrl-sci2026

A Scale-Separated Full-Field Monopole Method for Precipitation Modelling

C. W. Sinclair

A scale-separated monopole method is developed for full-field prediction of precipitation under conditions where particle-scale diffusion fields coexist with solute variations over…

cond-mat.mtrl-sci2022

Predicting the effect of strain path on the strain aging behaviour of Ultra-low carbon steel

Wendel A. Melo, Chad W. Sinclair

A recently presented model is adapted to predict the effects of strain path change on the strain aging (bake hardening) behaviour of an ultra low carbon (ULC) steel. Samples pre-de…

cond-mat.soft2021★ 12 cited

Exploring glassy dynamics with Markov state models from graph dynamical neural networks

Siavash Soltani, Chad W. Sinclair, Joerg Rottler

Amorphous materials exhibit structural heterogeneities that relax only on long timescales. Using machine learning techniques, we construct a Markov state model (MSM) for model glas…

cond-mat.mtrl-sci2021★ 20 cited

Vibratory Powder Feeding for Powder Bed AdditiveManufacturing using Water and Gas Atomized MetalPowders

C. W. Sinclair, R. Edinger, W. Sparling +2

Commercial powder bed fusion additive manufacturing systems use recoaters for the layer-by-layer distribution of powder. Despite the known limitations of recoaters, there has been…

cond-mat.mtrl-sci2021

Modelling the relationship between deformed microstructures and static recrystallization textures: application to ferritic stainless steels

Arthur Després, Jean-Denis Mithieux, Chad. W. Sinclair

We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered…

cond-mat.mtrl-sci2020★ 20 cited

The Benefits of Trace Cu in Wrought Al-Mg Alloys

S. Medrano, H. Zhao, B. Gault +2

The softening and strengthening contributions in pre-deformed and aged Al-Mg-Cu alloys containing 3wt.%Mg and 0.5wt.%Cu are evaluated by a combination of microscopy, mechanical tes…

cond-mat.mtrl-sci2020★ 3 cited

Carbon Diffusion in Concentrated Fe-C Glasses

Siavash Soltani, Joerg Rottler, Chad W. Sinclair

By combining atomistic simulations with a detailed analysis of individual atomic hops, we show that the diffusion of carbon in a binary Fe-C glass exhibits strong (anti-)correlatio…

cond-mat.mtrl-sci2020

A mean-field model of static recrystallization considering orientation spreads and their time-evolution

Arthur Després, Michael Greenwood, Chad Sinclair

In this paper, we develop a mean-field model for simulating the microstructure evolution of crystalline materials during static recrystallization. The model considers a population…

cond-mat.mtrl-sci2018★ 3 cited

Controlling solid-liquid interfacial energy anisotropy through the isotropic liquid

Lei Wang, Jeff Hoyt, Nan Wang +2

Although the anisotropy of the solid-liquid interfacial free energy for most alloy systems is very small, it plays a crucial role in the growth rate, morphology and crystallographi…

cond-mat.mtrl-sci2015★ 42 cited

An Atomistic Study of Diffusion-Mediated Plasticity and Creep using Phase Field Crystal Methods

Joel Berry, Jörg Rottler, Chad W. Sinclair +1

The nonequilibrium dynamics of diffusion-mediated plasticity and creep in materials subjected to constant load at high homologous temperatures is studied atomistically using Phase…

cond-mat.mtrl-sci2014★ 69 cited

Phase Field Crystal Modeling as a Unified Atomistic Approach to Defect Dynamics

Joel Berry, Nikolas Provatas, Jörg Rottler +1

Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled usin…

cond-mat.mtrl-sci2013★ 12 cited

A three-dimensional atomistic kinetic Monte Carlo study of dynamic solute-interface interaction

Aulia Tegar Wicaksono, Chad W. Sinclair, Matthias Militzer

A three-dimensional atomistic Kinetic Monte Carlo model was developed and used to study the interaction between mobile solutes and a migrating interface. While the model was develo…

cond-mat.mtrl-sci2012★ 65 cited

Defect stability in phase-field crystal models: Stacking faults and partial dislocations

Joel Berry, Nikolas Provatas, Jörg Rottler +1

The primary factors controlling defect stability in phase-field crystal (PFC) models are examined, with illustrative examples involving several existing variations of the model. Gu…