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Record W3006821222 · doi:10.1111/jace.17081

The influence of modifier cations on the Raman stretching modes of Q <i> <sup>n</sup> </i> species in alkali silicate glasses

2020· article· en· W3006821222 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueJournal of the American Ceramic Society · 2020
Typearticle
Languageen
FieldMaterials Science
TopicGlass properties and applications
Canadian institutionsWestern UniversityUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsRaman spectroscopyAlkali metalAsymmetryChemistryAnalytical Chemistry (journal)SilicateCharge (physics)Molecular vibrationEffective nuclear chargeCrystallographyIonAtomic physicsPhysics

Abstract

fetched live from OpenAlex

Abstract The Raman spectra of alkali silicate glasses containing 5 to 30 mol % M 2 O (M = Li, Na, K, Rb, and Cs) have been fit successfully with pseudo‐Voigt lineshapes of dominantly Lorentzian character in order to quantify the Q n species distributions. This differs from the more popular Gaussian lineshapes which have been used for the past four decades. There is an increase in asymmetry in the Q 3 band, with increasing M 2 O content which appears to result from the weakened Si‐O force constants of some Q 3 bands due to charge transfer via M‐BO bonds. With charge transfer to the tetrahedra, the negative charge accumulates preferentially on Si atoms thus decreasing Si‐O Coulombic interactions, weakening Si‐O force constants, and shifting the Q n A 1 symmetric stretch vibrational frequencies to lower values (eg, from ∼1100 cm −1 to ∼1050 cm −1 ). The fraction of affected Q 3 species increases with alkali content, as does the Q 3 peak asymmetry. We propose that this extends through to all the Q n species and postulate that there are multiple vibrational modes for each Q n species which are dictated by their proximity to network modifier cations.

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.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.148
Threshold uncertainty score0.324

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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)0.0000.000

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 head0.024
GPT teacher head0.244
Teacher spread0.220 · 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