ArticleNature communications2024
Grand canonically optimized grain boundary phases in hexagonal close-packed titanium.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
4 citing papers in PubMed.
- Basic concepts of grain-boundary structure and phase behavior: From theory and experiments to material properties.MRS bulletin · 2026Review
- Direct observation of substitutional and interstitial dopant diffusion in oxide grain boundary.Nature communications · 2025Article
- Dislocation-Grain Boundary Interaction Dataset for FCC Cu.Scientific data · 2025Article
- Grand canonically optimized grain boundary phases in hexagonal close-packed titanium.Nature communications · 2024Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent computational studies have demonstrated the existence of multiple GB phases associated with varying the atomic density at the interface, we introduce a validated, open-source GRand canonical Interface Predictor (GRIP) tool that automates high-throughput, grand canonical optimization of GB structures. While previous studies of GB phases have almost exclusively focused on cubic systems, we demonstrate the utility of GRIP in an application to hexagonal close-packed titanium. We perform a systematic high-throughput exploration of tilt GBs in titanium and discover previously unreported structures and phase transitions. In low-angle boundaries, we demonstrate a coupling between point defect absorption and the change in the GB dislocation network topology due to GB phase transformations, which has important implications for the accommodation of radiation-induced defects.
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Registered trials
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