Molecular dynamics study of fission product behaviour in molten <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si12.svg" display="inline" id="d1e2459"><mml:mrow><mml:mi>T</mml:mi><mml:mi>h</mml:mi><mml:msub><mml:mrow><mml:mi>F</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si13.svg" display="inline" id="d1e2474"><mml:mrow><mml:mi>L</mml:mi><mml:mi>i</mml:mi><mml:mi>F</mml:mi></mml:mrow></mml:math> salt
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
The solvation of fission products in fuel salts and the effects due to their accumulation are important factors to understand in molten salt reactor design. In this contribution, we use ab initio Molecular Dynamics (AIMD) and polarizable ion model (PIM) based MD to study the structural and dynamic characteristics of the fission products ( C s , I and X e ) in the model fuel salt T h F 4 - L i F with different compositions at the infinite dilution limit. We first develop or refine existing PIM potentials to better reproduce the results of AIMD simulations. The AIMD and PIM-MD results are then compared in terms of the structures present in the salt, and the dynamics of their coordination. The results of this study indicate that, at 1200 K and 1400 K the fission products studied here have weak interactions with all composition ranges of fuel salt. This is evident, as first coordination shell associations being generally short-lived, as determined by cage correlation times. The diffusion coefficients determined through PIM-MD match the AIMD results reasonably well. The three fission products studied here are diffuse at similar rates; however, the C s + diffusion is slightly lower likely due to its more tightly bound associated F − . With all solutes, the diffusion coefficients decrease with a greater T h F 4 fraction. Additionally, the behaviour of these solutes was studied at finite concentration ranges, up to 4 atom %. Here, it was found that the presence of C s + has little effect on the density, heat capacity and viscosity. However, these properties were affected by higher I + and X e concentrations.
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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 | 0.004 | 0.006 |
| Meta-epidemiology (narrow) | 0.003 | 0.006 |
| Meta-epidemiology (broad) | 0.001 | 0.005 |
| Bibliometrics | 0.002 | 0.004 |
| Science and technology studies | 0.003 | 0.004 |
| Scholarly communication | 0.003 | 0.004 |
| Open science | 0.007 | 0.007 |
| Research integrity | 0.007 | 0.005 |
| Insufficient payload (model declined to judge) | 0.465 | 0.003 |
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