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Record W3173952176 · doi:10.1016/j.actamat.2021.117135

Element-resolved local lattice distortion in complex concentrated alloys: An observable signature of electronic effects

2021· article· en· W3173952176 on OpenAlexfundno aff
Hyun Seok Oh, Khorgolkhuu Odbadrakh, Yuji Ikeda, Sai Mu, Fritz Körmann, Cheng-Jun Sun, Heh Sang Ahn, Kook Noh Yoon, Duancheng Ma, Cemal Cem Taşan, T. Egami, Eun Soo Park

Bibliographic record

VenueActa Materialia · 2021
Typearticle
Languageen
FieldEngineering
TopicHigh Entropy Alloys Studies
Canadian institutionsnot available
FundersInstitute of Engineering Research, Seoul National UniversityStichting voor de Technische WetenschappenOffice of ScienceMinistry of Science, ICT and Future PlanningArgonne National LaboratoryU.S. Department of EnergySeoul National UniversityMassachusetts Institute of TechnologyUniversity of Tennessee, KnoxvilleDeutsche ForschungsgemeinschaftNational Research FoundationMinistry of Science and ICT, South KoreaCanadian Light SourceNederlandse Organisatie voor Wetenschappelijk OnderzoekCalifornia Department of Fish and GameNational Science Foundation
KeywordsMaterials scienceObservableLattice (music)Distortion (music)Electronic structureDensity functional theoryCondensed matter physicsPhysicsQuantum mechanics

Abstract

fetched live from OpenAlex

Complex concentrated alloys (CCAs) are of growing interest due to their outstanding mechanical properties that exceed the property limits of conventional alloys. Whereas the superior properties are often attributed to severe lattice distortion, to date it is not clear what controls the lattice distortion and how it affects the mechanical properties of CCAs. In this work, we study the element-resolved local lattice distortion (ELLD) in CCAs of 3d transition-metal elements (3d CCAs) by the extended X-ray absorption fine structure experiment and the density-functional theory calculations. We show that ELLD is primarily dependent upon charge transfer among elements and affects the properties through atomic-level pressure and orbital transition. The ELLD provides a qualitative measure of the effective atomic size for explaining element-specific properties and macroscopic properties.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.011
GPT teacher head0.227
Teacher spread0.215 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations54
Published2021
Admission routes1
Has abstractyes

Explore more

Same venueActa MaterialiaSame topicHigh Entropy Alloys StudiesFrench-language works237,207