High-pressure phase transition and metallization in Ar(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>H</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>)<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
Bibliographic record
Abstract
The high-pressure phase transition and the metallization of Ar(${H}_{2}$)${}_{2}$ are investigated using first-principles methods. A phase transition from the experimentally observed MgZn${}_{2}$ structure to a CeCu${}_{2}$-type structure is predicted near 66 GPa. This phase transition provides a possible explanation for the disappearance of the Raman active vibron mode in experiment between 55 and 70 GPa. The metallization of the CeCu${}_{2}$ structure is promoted by the intermolecular interactions among ${H}_{2}$ molecules, but hindered by the modulation of Ar atoms. The competition between these two mechanisms implies that the pressure for metallization in Ar(${H}_{2}$)${}_{2}$ is higher than that suggested for pure hydrogen. This prediction is a result of an examination of a previous proposal that hydrogen could metallize at much lower pressure by mixing with Ar, and provides insight for future studies on metallization of hydrogen through the use of hydrogen-rich mixtures.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.006 | 0.001 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".