5 papers
Crystal Nucleation in Al-Ni Alloys: an Unsupervised Chemical and Topological Learning Approach
Sébastien Becker, Emilie Devijver, Rémi Molinier +1
Crystallization represents a fundamental process engendering solidification of a material and determines its microstructure. Driven by complex phenomena at the atomic scale, its un…
Unsupervised topological learning approach of crystal nucleation in pure Tantalum
Sébastien Becker, Emilie Devijver, Rémi Molinier +1
Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms rem…
Unsupervised topological learning approach of crystal nucleation
Sébastien Becker, Emilie Devijver, Rémi Molinier +1
Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms rem…
On the Excess Entropy Scaling Law: a Potential Energy Landscape View
Anthony Saliou, Philippe Jarry, Noel Jakse
The relationship between excess entropy and diffusion is revisited by means of large-scale computer simulation combined to supervised learning approach to determine the excess entr…
Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers
F. Puosi, A. Pasturel, N. Jakse +1
The breakdown of the Stokes-Einstein (SE) law in fragile glassformers is examined by Molecular-Dynamics simulations of atomic liquids and polymers and consideration of the experime…