NUCLEATION AND CRYSTAL GROWTH IN SOFT-SPHERE SYSTEMS

G. Bushnell-Wye , J. Finney

Spontaneous homogeneous nucleation can be demonstrated in a model of 4000 soft-spheres annealed from an amorphous starting configuration via a molecular dynamics method. Analysis of the crystallisation process at three stages of the simulation using Voronoi polyhedra indices shows that both bcc and fcc nuclei continue to grow. Methods of delineating the nuclei and the effects on their resulting shape and size are discussed, and it is shown how ambiguities in structure which arise both for particular index types and local arrangements can be resolved using computer graphics techniques. Some of the drawings displayed give the impression of localised phase change from bcc to fcc structure though these events have yet to be confirmed.

Domaines: Articles anciens

G. Bushnell-Wye, J. Finney. NUCLEATION AND CRYSTAL GROWTH IN SOFT-SPHERE SYSTEMS. Journal de Physique Colloques, 1985, 46 (C3), pp.C3-311-C3-321. ⟨10.1051/jphyscol:1985325⟩. ⟨jpa-00224642⟩