Numerical Investigation of the Kinetics of Non-Equilibrium Phase Transitions in Silicon Induced by an Ultra-Short Laser Pulse
Bibliographic record
Abstract
Modern semiconductor applications demand precise laser processing at the nanometer scale, requiring a detailed understanding of phase transitions and structural modifications. Accurate control over laser-induced processes in semiconductors is essential for generating surface structures and modifying surface properties. In this study, we present a numerical investigation of non-equilibrium laser-induced phase transitions in silicon (Si) using a hybrid atomistic-continuum model. The model combines the strengths of Molecular Dynamics (MD) simulations for atomisticscale descriptions of non-equilibrium phase transitions with a continuum approach to account for laser-generated free carriers. This framework captures the generation and diffusion of electronhole pairs, thermal diffusion, and electron-phonon coupling during laser energy deposition. We apply the model to determine the melting depth as a function of fluence for a 100 fs laser pulse at 800 nm. The results show that the stand-alone continuum approach underestimates the melting threshold compared to the hybrid atomistic-continuum model, which incorporates the detailed kinetics of melting. Additionally, we explore the effect of crystal orientation on melting dynamics. Lastly, the MD model is used to identify the conditions leading to the amorphization of the Si surface. These findings provide valuable insights into experimental observations of Si surface structuring induced by ultrashort laser pulses.
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How this classification was reachedexpand
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 | 0.001 |
| 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".