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UKAEA-CCFE-PR(25)3992025
We develop an atomic cluster expansion (ACE) interatomic potential for lithium that accurately models both the solid and liquid phase and the corresponding melting point. The training data is obtained from 0 K density functional theory (DFT) and finite temperature ab initio molecular dynami…
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UKAEA-CCFE-PR(25)3782024
We develop an atomic cluster expansion (ACE) interatomic potential for lithium that accurately models both the solid and liquid phase and the corresponding melting point. The predicted properties for both phases are in close agreement with density functional theory (DFT) and experimental data from literature. The potential is able to capture the…
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UKAEA-CCFE-PR(23)1612023
Severe plasma transients such as disruptions will impose high magnitude, short duration thermal loads on the plasma-facing first wall of the EU’s DEMOnstration tokamak. Repeated over DEMO’s lifetime, these transients may cumulatively alter the microstructure of first wall structural materials, degrading their performance. The effects of repeate…
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