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Stable All-Nitrogen Metallic Salt at Terapascal Pressures

2013· article· en· W1991607695 on OpenAlexaff
Jian Sun, Miguel Martínez-Canales, D. D. Klug, Chris J. Pickard, R. J. Needs

Bibliographic record

VenuePhysical Review Letters · 2013
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicHigh-pressure geophysics and materials
Canadian institutionsSteacie Institute for Molecular Sciences
FundersEngineering and Physical Sciences Research Council
KeywordsMaterials scienceNitrogenMetalSalt (chemistry)MetallurgyPhysicsChemistryPhysical chemistry

Abstract

fetched live from OpenAlex

The phase diagram and equation of state of dense nitrogen are of interest in understanding the fundamental physics and chemistry under extreme conditions, including planetary processes, and in discovering new materials. We predict several stable phases of nitrogen at multi-TPa pressures, including a P4/nbm structure consisting of partially charged N(2)(δ+) pairs and N(5)(δ-) tetrahedra, which is stable in the range 2.5-6.8 TPa. This is followed by a modulated layered structure between 6.8 and 12.6 TPa, which also exhibits a significant charge transfer. The P4/nbm metallic nitrogen salt and the modulated structure are stable at high pressures and temperatures, and they exhibit strongly ionic features and charge density distortions, which is unexpected in an element under such extreme conditions and could represent a new class of nitrogen materials. The P-T phase diagram of nitrogen at TPa pressures is investigated using quasiharmonic phonon calculations and ab initio molecular dynamics simulations.

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 score0.004

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 studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.015
GPT teacher head0.239
Teacher spread0.223 · 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

Citations83
Published2013
Admission routes1
Has abstractyes

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