3 papers
cond-mat.mtrl-sci2026
On the limits of the energetic coupling between field dislocation mechanics and phase field crystal
Aymane Graini, Jorge Viñals, Manas V. Upadhyay
This paper investigates the energetic coupling between Field Dislocation Mechanics (FDM) and the Phase Field Crystal (PFC) model proposed in Phys. Rev. B 102, 064109, 2020. While F…
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…