J. Lu et Ja. Szpunar, APPLICATIONS OF THE EMBEDDED-ATOM METHOD TO GLASS-FORMATION AND CRYSTALLIZATION OF LIQUID AND GLASS TRANSITION-METAL NICKEL, Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties, 75(4), 1997, pp. 1057-1066
The embedded-atom method (EAM) has been applied to investigate the eff
ect of different cooling rates on the glass formation and crystallizat
ion processes in supercooled metallic liquid nickel. The crystallizati
on of metallic glass as a of increasing temperatures was also studied,
using the constant-pressure molecular-dynamics simulation. The result
s indicate that the agreements between the calculated and experimental
pair distribution functions and atomic volumes for the liquid nickel
are quite good. The microstructure is greatly affected by the quenchin
g rate. The non-equilibrium phase obtained in a supercooled liquid thr
ough a Fast quenching process is a metallic glass, and the equilibrium
phase resulting from slow cooling rate is a fee-type crystal phase. M
etallic glass is unstable during quenching and, with an increase in te
mperature, crystallization of the metallic glass occurs. The crystal s
tructure resulting from the crystallization process is a fee-type stru
cture. The calculated relationships between the atomic volume, pair st
ructural indexes and temperature provide a good picture of the structu
ral transformations and results which are consistent with the results
obtained experimentally.