The moleculear dynamics simulation of liquid magnetic substance Co

Citation
H. Li et al., The moleculear dynamics simulation of liquid magnetic substance Co, ACT CHIM S, 57(1), 1999, pp. 47-52
Citations number
12
Categorie Soggetti
Chemistry
Journal title
ACTA CHIMICA SINICA
ISSN journal
05677351 → ACNP
Volume
57
Issue
1
Year of publication
1999
Pages
47 - 52
Database
ISI
SICI code
0567-7351(1999)57:1<47:TMDSOL>2.0.ZU;2-4
Abstract
The molecular dynamic simulations have been performed on microsystem of liq uid Co between 1873K and 300K; The pair distributed function and the change of atomic group at differetent temperratures have been obtained by the EAM method; If the cooling rate is low, the crystal would be formed. If the co oling rate is very high, the amorphism would occur. It is obvious that the ordering degree of liquid Co is strengthened with the temperature decrease. The last result of simulation has been discussed by the pair analysis tech nique. The various bond pairs in liquid Co are the basic units when they so lidify. The micro configuration in liquid can be described by the bond pair s. When the liquid Co forms crystal, the pairs 1421 and 1422 play an import ant role. The inclination of changes of 1551 and 1541 is in accordance with the liquid and amorphism.