Multiscale coupling using a finite element framework at finite temperature
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Bibliographic record
Abstract
SUMMARY This paper presents the formulation and application of a multiscale methodology that couples three domains using a finite element framework. The proposed method efficiently models atomistic systems by decomposing the system into continuum, bridging, and atomistic domains. The atomistic and bridging domains are solved using a combined finite element–molecular mechanics simulation where the system is discretized into atom/nodal centric elements based on the atomic scale finite element method. Coupling between the atomistic domain and continuum domain is performed through the bridging cells, which contain locally formulated atoms whose displacements are mapped to the nodes of the bridging cell elements. The method implements a temperature‐dependent potential for finite temperature simulations. Validation and demonstration of the methodology are provided through three case studies: displacement in a one‐dimensional chain, stress around nanoscale voids, and fracture. From these studies differences between multiscale and fully atomistic simulations were very small with the simulation time of the proposed methodology being approximately a tenth of the time of the fully atomistic model. Copyright © 2012 John Wiley & Sons, Ltd.
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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 | 0.001 | 0.002 |
| 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