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 **, 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 …

[KNYGA][B] Introduction to texture analysis: macrotexture, microtexture and orientation map**

V Randle, O Engler - 2000 - taylorfrancis.com
Encompassing the concepts, practice, and application of orientation analysis, Introduction to
Texture Analysis is an essential reference source for reserachers in textiles. The author uses …

Interplay between grain boundaries and radiation damage

CM Barr, O El-Atwani, D Kaoumi, K Hattar - Jom, 2019 - Springer
The need for enhanced radiation-tolerant materials for advanced nuclear energy designs
has resulted in a growing number of investigations that have explored the effect of grain …

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 …

Improve sensitization and corrosion resistance of an Al-Mg alloy by optimization of grain boundaries

J Yan, NM Heckman, L Velasco, AM Hodge - Scientific reports, 2016 - nature.com
The sensitization and subsequent intergranular corrosion of Al-5.3 wt.% Mg alloy has been
shown to be an important factor in stress corrosion cracking of Al-Mg alloys. Understanding …

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 …

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 …