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Record W1991881396 · doi:10.1139/p04-003

The first coordination number for liquid metals

2004· article· en· W1991881396 on OpenAlexafffundvenue
J. R. Cahoon

Bibliographic record

VenueCanadian Journal of Physics · 2004
Typearticle
Languageen
FieldChemistry
TopicChemical Thermodynamics and Molecular Structure
Canadian institutionsUniversity of Manitoba
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCoordination numberValence electronAtomic numberCube (algebra)PhysicsNumber densityIsotropyValence (chemistry)CrystallographyRadial distribution functionThermodynamicsMolecular physicsChemical physicsElectronAtomic physicsMolecular dynamicsChemistryIonGeometryQuantum mechanics

Abstract

fetched live from OpenAlex

A simple and absolute method for the calculation of the first coordination number for any pure, isotropic liquid element is presented. The liquid density and the position for the first peak of the radial distribution function, assumed to be the atomic diameter, are the only parameters required. The coordination number for liquid metals that exhibit a BCC (body-centred cube) solid structure averages 7.4 while the first coordination number for liquid metals with a FCC (face-centred cube) or CPH (close-packed hexagonal) solid structure averages 7.1. Those liquid elements that have less closed-packed solid structures have a first coordination number less than 7.0. The calculation also correctly predicts the first coordination number for liquid Se to be 2.4, consistent with its chain-like structure. The calculated values for the liquid element coordination numbers are consistent with the decrease in density of a few percent that occurs upon melting and appear to be related to the Engel–Brewer valence of the solid, which suggests that the electron structure of the solid may be retained upon melting. The first coordination numbers for liquid Ge and Si were calculated to be 5.0 and 4.7, respectively, larger than the value of 4.0 for solid structures. The increase in coordination number upon melting accounts for the increase in density of Ge and Si that occurs upon melting.PACS No.: 61.20.Gy

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)0.002
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.011
Threshold uncertainty score0.037

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0020.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0020.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0110.003

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 head0.007
GPT teacher head0.218
Teacher spread0.212 · 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 designTheoretical or conceptual
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

Citations24
Published2004
Admission routes3
Has abstractyes

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