New Insights into the Thermal Stability of the Smectic C Phase
Bibliographic record
Abstract
Subtle differences in the molecular structure of mesogens can lead to very different experimental polymorphisms. The smectic C (SmC) phase can actually be exhibited by one isomer and not the other, or the range of temperature can be completely different. Unveiling the deep connection between atomic structure and the very existence of the SmC phase will lead to the design of new performing liquid crystalline materials for ferroelectric or nonlinear optical applications. Our approach is based on running molecular dynamics simulation from an initial SmC arrangement of molecules. When the temperature is increased, the molecules automatically adjust in a more favorable organization. Such modification in the imposed initial self-assembly is governed by values of the nonbonded energies. Thanks to the combined use of simulation and experimental phase diagrams, we have unveiled part of the deep connection between atomic structure and the very existence of the SmC phase. The actual display of the SmC mesophase stems from a subtle balance between short-range interactions, which reveal arrangement of molecules within a smectic layer, and long-range interactions, which disclose organization of layers.
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How this classification was reachedexpand
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 | 0.001 | 0.001 |
| 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 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 teacher head, 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".