MD simulation studies of the physical and mechanical properites of P3HT-based blends
Bibliographic record
Abstract
In this research, the physical and mechanical properties of semi-crystalline polymerpoly-(3-hexylthiophene-2,5-diyl)-based blends were investigated. The volume versus temperature curves of polymerpoly-(3-hexylthiophene-2,5-diyl)/methano-fullerene derivative[6]-phenyl-C64-butyricacidmethyl ester (P3HT:PCBM) and polymerpoly-(3-hexylthiophene-2,5-diyl)/DOCN-PPV (P3HT/CNPh-PPV) were plotted; however, we obtained one single temperature for each curve between glass transition temperatures of the compounds, which could be considered a good indicator of miscibility. In addition, the Coesif energy density of P3HT, PCBM, and CNPh-PPV were calculated and used to obtain the solubility parameters δP3HT, δPCBM, and δCNPh-PPV. The interaction parameter χ was calculated and used in the investigation and we confirmed the miscibility of our polymer systems. By using the dissipative particle dynamic method, the morphologies of P3HT/PCBM and P3HT/CNPh-PPV were enhanced.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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".