density functional theory 1Lennard-Jones fluids 1nonclassical pathways 1nucleation theory 1phase transitions 1spinodal decomposition 1
From the 1 of 3 linked papers with an AI index.
3 papers
physics.chem-ph2026
Nonclassical condensation pathways revealed by the multivariable theory of nucleation
Yijian Wu, Thomas Philippe
The paper extends classical nucleation theory by treating cluster size, density, and interfacial width as independent variables using dynamical density functional theory, revealing…
physics.chem-ph2026
The seeding method: A test case for classical nucleation theory in small systems
Thomas Philippe, Yijian Wu, Aymane Graini
Molecular dynamics simulations are widely used to investigate nucleation in first-order phase transitions. Brute-force simulations, though popular, are limited to conditions of hig…
physics.chem-ph2026
Nonclassical Nucleation Pathways in Liquid Condensation Revealed by Simulation and Theory
Yijian Wu, Thomas Philippe, Aymane Graini +1
Using state-of-the-art rare-event sampling simulations, we precisely characterize the nucleation of liquid droplets from a supersaturated Lennard-Jones gas and uncover a key physic…