Evidence map›Paper›PMID 39147757›Full record

ArticleNature communications2024

Grand canonically optimized grain boundary phases in hexagonal close-packed titanium.

Enze Chen, Tae Wook Heo, Brandon C Wood, Mark Asta, Timofey Frolov

Abstract read
In one paragraph

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.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

4 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Enze ChenDepartment of Materials Science and Engineering, University of California, Berkeley, CA, USA. enze@stanford.edu.ORCID http://orcid.org/0000-0002-7621-115X
Tae Wook HeoMaterials Science Division, Lawrence Livermore National Laboratory, Livermore, CA, USA.ORCID http://orcid.org/0000-0002-0765-3480
Brandon C WoodMaterials Science Division, Lawrence Livermore National Laboratory, Livermore, CA, USA.ORCID http://orcid.org/0000-0002-1450-9719
Mark AstaDepartment of Materials Science and Engineering, University of California, Berkeley, CA, USA.ORCID http://orcid.org/0000-0002-8968-321X
Timofey FrolovMaterials Science Division, Lawrence Livermore National Laboratory, Livermore, CA, USA. frolov2@llnl.gov.ORCID http://orcid.org/0000-0001-8985-6187

Funding

National Science Foundation (NSF) DGE-2146752
6 · The paper itself

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.

Identifiers

PMID39147757
PMCPMC11327258

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.