The recent discovery of non-classical crystal nucleation pathways has revealed the role of
fluctuations in the liquid structural order, not considered in classical nucleation theory. On …

In this review, we examine how machine learning (ML) can build on molecular simulation
(MS) algorithms to advance tremendously our ability to predict the thermodynamic properties …

Both crystallization and relaxation are intrinsic characteristics that derive from the metastable
nature of metallic glasses. However, the interactions between the two reactions are not …

Understanding the crystallization mechanism in silica-based materials is of paramount
importance to comprehend geological phenomena and to design novel materials for a …

Experiments on crystal nucleation are predominantly interpreted theoretically in terms of
classical nucleation theory (CNT). This theory relies on thermodynamic concepts developed …

Until quite recently, in almost all papers on crystal nucleation in glass-forming substances, it
was assumed that nucleation proceeds in a completely relaxed supercooled liquid and …

An understanding of nanocrystallization is an important precondition for controlling the
microstructure and properties of nanocrystal-reinforced amorphous alloys. In the present …

Crystallization often proceeds through successive stages that lead to a gradual increase in
organization. Using molecular simulation, we determine the nucleation pathway for solid …

Nucleation, significantly influenced by local structures in metallic melts, is crucial for
controlling the microstructure of solidified materials. However, the connection between local …

This study investigates the mechanical behaviour of nanocrystalline Cu-Ag alloys using
molecular dynamics simulations combined with detailed analyses of dislocation densities …