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Record W3045809065 · doi:10.1002/jrs.5954

Raman and infrared spectra to monitor the phase transition of natural kyanite under static compression

2020· article· en· W3045809065 on OpenAlexaff
Jing Gao, Wanghua Wu, Li-Hui Jia, Ching‐Pao Wang, Yingxin Liu, Chaowen Xu, Fei Chen, Chenhui Fei, Wen Su

Bibliographic record

VenueJournal of Raman Spectroscopy · 2020
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicHigh-pressure geophysics and materials
Canadian institutionsWestern University
FundersNational Key Research and Development Program of ChinaChina Postdoctoral Science FoundationNational Natural Science Foundation of China
KeywordsKyaniteRaman spectroscopyPhase transitionBulk modulusNatural bond orbitalChemistryMineralogyAnalytical Chemistry (journal)CrystallographyGeologyMaterials scienceCondensed matter physicsDensity functional theoryComputational chemistryComposite materialMetamorphic rockOpticsGeochemistryOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

Abstract The stability of kyanite Al 2 SiO 5 at high pressure is of significance in understanding the fate of the subducted crust and how they recycle within the Earth. Thus, in situ high‐pressure vibrational spectra of natural kyanite are presented. The shift amplitudes of the measured modes dependent on pressure manifest the contraction of the AlO bond bears the most compression of kyanite. At 9.7 GPa, a first‐order phase transition to kyanite‐II occurs, which is distinguished by changes occurred in the entire spectral region, including the pressure dependences of the modes, the wavenumber jumps of some peaks, the splitting of a SiO symmetric stretching band, and the emergence of new modes. A Raman mapping image is collected illustrating kyanite and kyanite‐II in coexistence at 10.0 GPa. Emphasize that, as is revealed by the infrared spectra, a part of HO···O distance becomes elongated after the transformation. At higher pressure up to 18.6 GPa, the Raman spectra disclose little effects associated with further transformations. Finally, releasing pressure to ambient leads to recovery of pure kyanite. Our results mark a lowest pressure limit of the change in the intermolecular and intramolecular bonding of kyanite and shed new lights on the crystal chemistry of aluminosilicate under mantle pressures.

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 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)0.000
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 score0.214
Threshold uncertainty score0.355

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
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 head0.011
GPT teacher head0.254
Teacher spread0.242 · 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 teacher head, 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

Citations9
Published2020
Admission routes1
Has abstractyes

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