Structural changes in loosening amorphous packings of Lennard-Jones atoms

Citation
Vp. Voloshin et Yi. Naberukhin, Structural changes in loosening amorphous packings of Lennard-Jones atoms, J STRUCT CH, 41(5), 2000, pp. 825-831
Citations number
7
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
41
Issue
5
Year of publication
2000
Pages
825 - 831
Database
ISI
SICI code
0022-4766(200009/10)41:5<825:SCILAP>2.0.ZU;2-O
Abstract
Computer simulations of crystalline and amorphous Lennard-Jones systems hav e revealed a stability threshold at reduced density 0.8-0.85. At this densi ty, a substance undergoes a phase transition losing homogeneity and at lowe r densities decomposes into regions of dense atomic clusters separated by e mpty space. The characteristic size of atomic clusters is approximately 10 atomic diameters. They are united by "bridges" of close-packed atoms into a single percolation cluster. The voids from branched channels with diameter s considerably exceeding an atomic diameter and permeating the entire space of the model.