Fine-tuning the MACE-MPA-0 foundation model on 5-10 60-atom DFT configurations reproduces the barocaloric phase transformation in ammonium sulfate, while training from scratch fails at these sizes.
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Doping neopentyl glycol with 1 mol% pentaerythritol reduces supercooling and thermal hysteresis in its barocaloric phase transition by increasing the number of nucleation events.
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Barocaloric phase transformation from data efficient fine-tuning of machine learned interatomic potentials
Fine-tuning the MACE-MPA-0 foundation model on 5-10 60-atom DFT configurations reproduces the barocaloric phase transformation in ammonium sulfate, while training from scratch fails at these sizes.
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Investigating nucleation-driven phase transitions in neopentyl molecular crystals using infrared thermography and polarised light microscopy
Doping neopentyl glycol with 1 mol% pentaerythritol reduces supercooling and thermal hysteresis in its barocaloric phase transition by increasing the number of nucleation events.