Thermal, vibrational, and thermoelastic properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">Y</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">Mo</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>12</mml:mn></mml:msub></mml:math>and their relations to negative thermal expansion
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Bibliographic record
Abstract
${\mathrm{Y}}_{2}$${\mathrm{Mo}}_{3}$${\mathrm{O}}_{12}$, a material that exhibits negative thermal expansion (NTE) from 10 to 1173 K, offers an excellent opportunity to examine relationships between NTE and other physical properties over a wide temperature range. We report experimental heat capacity, thermal conductivity, and elastic properties of ${\mathrm{Y}}_{2}$${\mathrm{Mo}}_{3}$${\mathrm{O}}_{12}$, as well as results of an ab initio study of the lattice dynamics, and show how the anomalously high heat capacity and low thermal conductivity are correlated with NTE. We also report the ab initio elastic tensor and experimental velocity of sound of ${\mathrm{Y}}_{2}$${\mathrm{Mo}}_{3}$${\mathrm{O}}_{12}$ and use it to calculate the thermal stresses in a simulated polycrystal using finite-element analysis, showing that elastic anisotropy and thermal expansion anisotropy couple to influence the properties of the bulk solid.
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Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.007 | 0.005 |
| Meta-epidemiology (narrow) | 0.004 | 0.005 |
| Meta-epidemiology (broad) | 0.002 | 0.005 |
| Bibliometrics | 0.001 | 0.003 |
| Science and technology studies | 0.006 | 0.005 |
| Scholarly communication | 0.004 | 0.006 |
| Open science | 0.006 | 0.007 |
| Research integrity | 0.005 | 0.005 |
| Insufficient payload (model declined to judge) | 0.062 | 0.010 |
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 it