From macroscopic yield criteria to atomic stresses in polymer glasses
Bibliographic record
Abstract
The relationship between macroscopic shear yield criteria and local stress distributions in deformed polymer glasses is investigated via molecular dynamics simulations on different scales of coarse-graining. Macroscopic shear stresses at the yield point obey a pressure-modified von Mises (pmvM) criterion for many different loading conditions and strain rates. Average local stresses in small volume elements obey the same yield criterion for volumes containing approx. 100 atoms or more. Qualitatively different behavior is observed on smaller scales: the average octahedral atomic shear stress has a simple linear relationship to hydrostatic pressure regardless of macroscopic stress state and failure mode. Local plastic events are identified through a threshold in the mean-squared nonaffine displacement and compared to the local stress state. We find that the pmvM criterion only predicts local yield events when stress and displacements are averaged over at least 100 atoms. By contrast, macroscopic shear yield criteria appear to lose their ability to predict plastic activity on the atomic scale.
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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 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.001 |
| 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 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".