44 citations · 89 across the 4 of their papers we have counts for
6 papers
Can Ordered Precursors Promote the Nucleation of Solid Solutions?
Caroline Desgranges, Jerome Delhommelle
Crystallization often proceeds through successive stages that lead to a gradual increase in organization. Using molecular simulation, we determine the nucleation pathway for solid…
Unusual crystallization behavior close to the glass transition
Caroline Desgranges, Jerome Delhommelle
Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition,…
The central role of entropy in adiabatic ensembles and its application to phase transitions in the grand-isobaric adiabatic ensemble
Caroline Desgranges, Jerome Delhommelle
Entropy has become increasingly central to characterize, understand and even guide assembly, self-organization and phase transition processes. In this work, we build on the analogo…
Unraveling liquid polymorphism in silicon driven out-of-equilibrium
Caroline Desgranges, Jerome Delhommelle
Using nonequilibrium molecular dynamics (NEMD) simulations, we study the properties of supercooled liquids of Si under shear at T=1060K over a range of densities encompassing the l…
Stabilization of nanobubbles under hydrophobic confinement
Caroline Desgranges, Jerome Delhommelle
It has been recently shown that nanobubbles exhibit a remarkable and unexpected stability. The lifetime of nanobubbles, formed either within liquids or on hydrophobic surfaces, can…
Crystal nucleation along an entropic pathway: Teaching liquids how to transition
Caroline Desgranges, Jerome Delhommelle
We combine machine learning (ML) with Monte Carlo (MC) simulations to study the crystal nucleation process. Using ML, we evaluate the canonical partition function of the system ove…