CRYSTALLIZATION AND GLASS-FORMATION IN LIQUID LEAD - A MOLECULAR-DYNAMICS STUDY

Authors
RYBICKI J LASKOWSKI R FELIZIANI S
Citation
J. Rybicki et al., CRYSTALLIZATION AND GLASS-FORMATION IN LIQUID LEAD - A MOLECULAR-DYNAMICS STUDY, Computer physics communications, 97(1-2), 1996, pp. 185-190
Citations number
7
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
Computer physics communications → ACNP
ISSN journal
00104655
Volume
97
Issue
1-2
Year of publication
1996
Pages
185 - 190
Database
ISI
SICI code
0010-4655(1996)97:1-2<185:CAGILL>2.0.ZU;2-7
Abstract
The molecular dynamics (MD) simulations of crystallisation and glass f ormation in liquid lead have been performed. Two series of calculation s are presented. 1. Isochoric quenches down to 1 K of liquid densified and rarefied lead at various cooling rates; 2. Isothermal (at 600K) c ompression and decompression at various compression rates. The resulti ng structures at 1K are analysed within the stochastic geometry method s. The changes of the potential energy, and of the diffusion coefficie nt during the pressure induced solidification are discussed.