Computational modeling of grain boundary segregation: A review

C Hu, R Dingreville, BL Boyce - Computational Materials Science, 2024 - Elsevier
Nearly all metals, alloys, ceramics, and their associated composites are polycrystalline in
nature, with grain boundaries that separate well-defined crystalline regions that influence …

Colossal grain growth yields single-crystal metal foils by contact-free annealing

S Jin, M Huang, Y Kwon, L Zhang, BW Li, S Oh, J Dong… - Science, 2018 - science.org
Single-crystal metals have distinctive properties owing to the absence of grain boundaries
and strong anisotropy. Commercial single-crystal metals are usually synthesized by bulk …

The structure and composition of olivine grain boundaries: 40 years of studies, status and current developments

K Marquardt, UH Faul - Physics and Chemistry of Minerals, 2018 - Springer
Interfaces in rocks, especially grain boundaries in olivine dominated rocks, have been
subject to about 40 years of studies. The grain boundary structure to property relation is …

A machine learning approach to model solute grain boundary segregation

L Huber, R Hadian, B Grabowski… - npj Computational …, 2018 - nature.com
Even minute amounts of one solute atom per one million bulk atoms may give rise to
qualitative changes in the mechanical response and fracture resistance of modern structural …

Examination of computed aluminum grain boundary structures and energies that span the 5D space of crystallographic character

ER Homer, GLW Hart, CB Owens, DM Hensley… - Acta Materialia, 2022 - Elsevier
The space of possible grain boundary structures is vast, with 5 macroscopic, crystallographic
degrees of freedom that define the character of a grain boundary. While numerous datasets …

Quantitative prediction of grain boundary thermal conductivities from local atomic environments

S Fujii, T Yokoi, CAJ Fisher, H Moriwake… - Nature …, 2020 - nature.com
Quantifying the dependence of thermal conductivity on grain boundary (GB) structure is
critical for controlling nanoscale thermal transport in many technologically important …

Discovering the building blocks of atomic systems using machine learning: application to grain boundaries

CW Rosenbrock, ER Homer, G Csányi… - NPJ Computational …, 2017 - nature.com
Abstract Machine learning has proven to be a valuable tool to approximate functions in high-
dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics …

Precipitation formation on∑ 5 and∑ 7 grain boundaries in 316L stainless steel and their roles on intergranular corrosion

SP Tsai, SK Makineni, B Gault, K Kawano-Miyata… - Acta Materialia, 2021 - Elsevier
In sensitized (700° C for 10 h) AISI 316L stainless steel samples attacked by an HF solution,
coincidence site lattice (CSL)∑ 7 grain boundaries (GBs) always show corrosion while∑ 5 …

Grain boundary specific segregation in nanocrystalline Fe (Cr)

X Zhou, X Yu, T Kaub, RL Martens, GB Thompson - Scientific reports, 2016 - nature.com
A cross-correlative precession electron diffraction–atom probe tomography investigation of
Cr segregation in a Fe (Cr) nanocrystalline alloy was undertaken. Solute segregation was …

[HTML][HTML] Effect of Mn addition on the microstructure, mechanical, and corrosion properties of an extruded biodegradable Zn-0.2 Mg alloy

N Mollaei, SH Razavi, MR Aboutalebi… - Journal of Materials …, 2023 - Elsevier
In this study, the effect of Mn addition on microstructural evolution, mechanical properties,
and biocorrosion behaviors of as-extruded Zn-0.2 Mg alloy as candidates for degradable …