Understanding the Anisotropic Mechanical Behavior of Single‐Crystalline Alpha Quartz From the Insight of Molecular Dynamics
Bibliographic record
Abstract
Abstract Quartz is among Earth's most abundant minerals, which has several stable polymorphs in nature. In this study, molecular dynamics simulations are used to investigate the mechanical properties of crystalline alpha quartz. The obtained results specify that tensile stress under uniaxial tension is greater in z (c‐axis) than in other directions (290 vs. 115 GPa and 190 GPa). This outcome confirms that crystalline quartz has an anisotropic behavior under applied load, and as a result, Young's modulus varies in different directions. Furthermore, the effect of existing central cracks with different lengths are considered and the results analyzed. According to the results, central cracks decrease average stress and strain, and this reduction is higher in the z‐direction([0 0 0 1]). Additionally, it was found that the strain rate affects the stress‐strain behavior of the models; however, the strain rate plays a negligible role when the central crack length extends. In terms of potential energy, simulation results indicate that potential energy is the highest in the model without any crack and reduces by growing the central crack size.
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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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".