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Record W2295307981 · doi:10.1021/acs.cgd.5b00829

Ideal Strength of Methane Hydrate and Ice I<sub>h</sub> from First-Principles

2015· article· en· W2295307981 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

VenueCrystal Growth & Design · 2015
Typearticle
Languageen
FieldEnvironmental Science
TopicMethane Hydrates and Related Phenomena
Canadian institutionsMcGill University
FundersAmerican Chemical Society Petroleum Research FundMcGill University
KeywordsIce IhHydrateMaterials scienceIsotropyMethaneChemistryComposite materialMoleculeOpticsPhysics

Abstract

fetched live from OpenAlex

The ideal strength of methane hydrate and ice I h was investigated and quantified from first-principles calculations. Using density functional theory, methane hydrate was studied under uniaxial, triaxial, and shear deformation modes, and the uniaxial deformation of ice I h was considered for comparison. The resulting ideal strength was found, and the structural evolution in terms of bond lengths, bond angles, elastic moduli, and Poisson ratio was analyzed throughout the deformation. It was found that methane hydrate displays brittle behavior in terms of its strength and has no dominant slip system. Ice I h exhibited a higher ideal uniaxial strength compared to the hydrate by deviating from the perfect tetrahedral arrangement of its water molecules. Under uniaxial tension, both structures maintain their transverse isotropy and fail at a critical hydrogen bond length despite the difference in their strength values. Under uniaxial compression, however, the hydrate loses its transverse isotropy unlike ice I h which maintains it. While ice I h and hydrates are similar in many of their physical properties, their ideal strength and structural deformation were found to be different. The presented new monocrystal mechanical properties and insights are a guide to future research in natural and synthetic polycrystalline gas hydrates.

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 score0.054
Threshold uncertainty score0.868

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 studies0.0000.000
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 head0.030
GPT teacher head0.215
Teacher spread0.184 · 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