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physics.chem-ph2025
Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure
Blake I. Armstrong, Aaron D. Copeland, Davide Donadio +1
Molecular dynamics simulations are typically constrained to have a fixed number of particles, which limits our capability to simulate chemical and physical processes where the comp…
cond-mat.mtrl-sci2025
Metastability and Ostwald Step Rule in the Crystallisation of Diamond and Graphite from Molten Carbon
Davide Donadio, Margaret L. Berrens, Wanyu Zhao +2
The crystallisation of carbon from the melt under extreme conditions is highly relevant to earth and planetary science, materials manufacturing, and nuclear fusion research. The th…