Molecular Mechanisms of Plastic Deformation in Sphere-Forming Thermoplastic Elastomers
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Bibliographic record
Abstract
Plastic deformation of sphere-forming triblock thermoplastic elastomers is studied with molecular dynamics simulations in order to elucidate microscopic mechanisms operative in nanostructured macromolecular materials. Phase separation of linear triblock copolymers is achieved by first equilibrating a melt using soft interactions that are subsequently replaced by a standard bead–spring model to obtain mechanical properties. We compare two deformation modes of both uniaxial stress and strain and vary the polymer chain length from unentangled to moderately entangled chains. Our simulations show that triblocks exhibit significant increase of strain hardening compared to homopolymer elastomers. We analyze several properties such as global chain deformation and local monomer motion, number and shape of spherical domains, and the evolution of the fraction of chains bridging between domains. Results confirm the notion of improved mechanical properties through effectively cross-linking chain ends. Void nucleation at different stages of deformation is observed to occur either at the interface between glassy and rubbery phases or immediately following the breakup of glassy domains and is therefore intimately related to the elastic heterogeneity of the material.
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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) | 0.000 | 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 it