NONADDITIVE LENNARD-JONES MODEL FOR THE STRUCTURE OF NI33Y67 METALLIC-GLASS - INTEGRAL-EQUATION AND MOLECULAR-DYNAMICS CALCULATIONS

Citation
Rg. Dellavalle et al., NONADDITIVE LENNARD-JONES MODEL FOR THE STRUCTURE OF NI33Y67 METALLIC-GLASS - INTEGRAL-EQUATION AND MOLECULAR-DYNAMICS CALCULATIONS, Materials science & engineering. A, Structural materials: properties, microstructure and processing, 165(2), 1993, pp. 183-187
Citations number
27
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Material Science
ISSN journal
0921-5093
Volume
165
Issue
2
Year of publication
1993
Pages
183 - 187
Database
ISI
SICI code
0921-5093(1993)165:2<183:NLMFTS>2.0.ZU;2-#
Abstract
Integral equation calculations and a molecular dynamics simulation of a quench from melt to glass are presented for a binary mixture modelli ng the prototype metallic glass Ni33Y67 with non-additive Lennard-Jone s interactions. The interaction parameters are mainly determined from structural data on crystalline Ni-Y alloys at several compositions and are consistent with those previously derived by fitting diffraction d ata of the amorphous phase. From the molecular dynamics results we can assess the ability of such a simple two-body potential to reproduce e xperimental neutron diffraction results for a metallic glass with stro ng chemical and topological short-range order. Moreover we provide dir ect evidence supporting our previous usage of thermodynamically consis tent integral equations of the theory of liquids to describe pair corr elation functions in glassy mixtures.