Bond order effects in electromechanical actuation of armchair single-walled carbon nanotubes
Bibliographic record
Abstract
In this paper we first use ab initio simulations to study the strains induced by charging an armchair (5,5) carbon nanotube (CNT) segment. The observed behavior is far from a monotonic expansion that one might have expected from a classical point of view. Subsequently a new method is proposed to predict the nonelectrostatic part of the electromechanical actuation response of the nanotube based on the spatial distribution of its molecular orbitals. Locally bonding and locally antibonding molecular orbitals are defined for the CNT segment structure based on analogy with bonding and antibonding orbitals in diatomic molecules. The nonmonotonic overall actuation is explained based on the above proposition and the general alignment of the expanding and contracting bonds with respect to the axis or circumference of the CNT segment. Using the well-known concept of bond order, the actuation of this complex system of many atoms is predicted with close quantitative agreement with the ab initio simulations.
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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) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".