Is Fine‐Grained Simulation Able to Propose New Polyelectrolyte Membranes?
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
Abstract An extensive understanding in the molecular motions that occur in Nafion ® should lead to important development of improved proton exchange membrane for use in fuel cells (PEMFC). As water molecules are added in the system, changes within the Nafion ® chain definitely take place. To visualize such a process, molecular dynamics is especially useful. Can information gained at this level of details be useful to propose new molecules, with ultimately better physical properties, such as higher proton conductivity? For this purpose, we first computed non‐bond parameters stemming from the study of the trifluorosufonic acid. They are inserted in the pcff force field. We then applied the procedure developed in our lab to extract the glass transition temperature of Nafion ® with different water uptakes. The plasticization effect is first confirmed, fostering a molecular analysis. The particular behavior of the sulfur‐sulfur distance is revealed, guiding the design of new monomers.
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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 | 0.000 | 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) | 0.002 | 0.002 |
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