Pressure-induced structure change and anomalies in thermodynamic quantities and transport properties in liquid lithium hydride
Bibliographic record
Abstract
Understanding the nature of liquid structure and its evolution under different conditions is a major challenge in condensed-matter physics and materials science. Here, we report a pressure-induced structure change spanning a wide pressure range in liquid-state lithium hydride (LiH) by first-principles molecular dynamic simulations. This behavior can be described as a continuous crossover from low pressure liquid with $\mathrm{L}{\mathrm{i}}^{+}\text{\ensuremath{-}}{\mathrm{H}}^{\ensuremath{-}}$ duality symmetry to a high pressure one with broken duality symmetry. The thermodynamic quantities such as heat capacity and ionic transport properties such as diffusivity are also saliently impacted. It is important to stress that such behavior is first predicted for this category of materials, which is ubiquitous in the universe as well as in industry applications. Last, a comprehensive high-pressure high-temperature phase diagram of LiH is constructed, which embodies rich physics in this previously thought simple ionic compound.
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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 | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
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".