Nucleation of stoichiometric compounds from liquid: the role of the kinetic factor

Abstract

While the role of the free energy barrier during nucleation is a text-book subject the importance of the kinetic factor is frequently underestimated. We obtained both quantities from molecular dynamics (MD) simulations for the pure Ni and B2 phases in the Ni50Al50 and Cu50Zr50 alloys. The free-energy barrier was found to be higher in Ni but the nucleation rate is much lower in the Ni50Al50 alloy which was attributed to the ordered nature of the B2 phase. Since the Cu50Zr50 B2 phase can has even smaller fraction of the anti-site defects its nucleation is never observed in the MD simulation.

References in corpus (2)

• Systematic Improvement of Classical Nucleation Theory
• Molecular Dynamics Computer Simulation of Crystal Growth and Melting in Al50Ni50

Cited by in corpus (7)

• Can Ordered Precursors Promote the Nucleation of Solid Solutions?
• Temperature dependence of the solid-liquid interface free energy of Ni and Al from molecular dynamics simulation of nucleation
• Tuning the glass-forming ability of metallic glasses through energetic frustration
• Direct evaluation of attachment and detachment rate factors of atoms in crystallizing supercooled liquids
• Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation Theory
• Unified scaling law for rate factor of crystallization kinetics
• Kinetics of inherent processes counteracting crystallization in supercooled monatomic liquid