Dipartimento di
Ingegneria Meccanica e Aerospaziale

 

 
PRIN 2022 n. 2022NY53N5 - “finanziato dall’Unione europea – Next Generation EU - Prof. Alberto Giacomello
Title: Phase transitions In Nanoalloys: Equilibrium structures and phase NUcleaTion (PINENUT)
 
Abstract: 
PINENUT develops and integrates advanced computational methods to elucidate alloying, phase separation, and nucleation mechanisms in metallic nanoparticles. By combining hybrid molecular dynamics–Monte Carlo simulations, parallel tempering, and machine-learning–assisted rare-event sampling, the project will determine size-dependent phase diagrams and polymorph selection during nucleation for technologically relevant binary nanoalloys. Focusing on systems spanning the full range of miscibility and ordering behavior, PINENUT addresses key nanoscale effects that govern structure and stability below 5 nm, where continuum approaches fail. The results aim to advance fundamental understanding of nanoalloy thermodynamics and kinetics, support controlled synthesis strategies, and provide transferable methodologies for phase behavior in a broad class of condensed-matter systems.
 
Team di ricerca:
Alberto Giacomello
Manoj Settem Narasimha
 
Partner:
Riccardo Ferrando (PI, UNIGE)
 
Durata del progetto:
Fino al 28/02/2026
 
Importo finanziato  (DIMA)
 97.507