OpenPFC: an open-source framework for high performance 3D phase field crystal simulations
Why this work is in the frame
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Bibliographic record
Abstract
Abstract We present OpenPFC ( https://github.com/VTT-ProperTune/OpenPFC ), a state-of-the-art phase field crystal (PFC) simulation platform designed to be scalable for massive high-performance computation environments. OpenPFC can efficiently handle large-scale simulations, as demonstrated by our strong and weak scaling analyses up to an 8192 3 grid on 65 536 cores. Our results indicate that meaningful PFC simulations can be conducted on grids of size 2048 3 or even 4096 3 , provided there is a sufficient number of cores and ample disk storage available. In addition, we introduce an efficient implementation of moving boundary conditions that eliminates the need for copying field values between MPI processes or adding an advection term to the evolution equations. This scheme enhances the computational efficiency in simulating large scale processes such as long directional solidification. To showcase the robustness of OpenPFC, we apply it to simulations of rapid solidification in the regime of metal additive manufacturing using a recently developed quantitative solid-liquid-vapor PFC model, parametrized for pure tungsten (body-centered cubic) and aluminum (face-centered cubic).
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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 | 0.000 |
| 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 | 0.001 | 0.001 |
| 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