aceMachine learning force field development and basic physical property studies for molten salt reactor fuel salt LiF-BeF<sub>2</sub>-UF<sub>4</sub>
As one of the most promising technological pathways for Generation IV advanced reactors, molten salt reactors (MSRs) rely on the fuel salt LiF-BeF 2 -UF 4 (FLiBeU), whose microstructural characteristics and fundamental physical properties determine the reactor's thermal-hydraulic behavior and safe operating limits. In response to the experimental challenges posed by the high temperature and high radioactivity of this molten salt system, this study adopts the deep potential molecular dynamics (DPMD) method combin…
Researchers built a DPMD-based machine learning force field with active learning for FLiBeU fuel salt and used it to systematically compute microstructure, thermophysical and transport properties across 773-1173 K and 3-50 mol% UF4.
Evidence
- Peer-reviewedPhysical Chemistry Chemical Physics2026-08-12
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Truvace Impact Record TRV-2026-0756, v1: “Machine learning force field development and basic physical property studies for molten salt reactor fuel salt LiF-BeF<sub>2</sub>-UF<sub>4</sub>.” Truvace, 2026-08-14. /record/TRV-2026-0756 (accessed at citation time). sha256 e46ffb1dbeb7d26b…
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