(189n) A Comparison of Crystalline and Icosahedral Order in Ag6Cu4 and CuAu Alloys | AIChE

(189n) A Comparison of Crystalline and Icosahedral Order in Ag6Cu4 and CuAu Alloys

Authors 

Gonzalez, B. - Presenter, University of North Dakota
Bechelli, S., University of North Dakota
Desgranges, C., University of North Dakota
Delhommelle, J., University of North Dakota
By utilizing molecular dynamics, we can compare crystalline and icosahedral order during crystal growth in Ag6Cu4 and CuAu alloys. As temperature is decreased, the Ag6Cu4 alloy growth rate decreases, whereas the CuAu alloy shows a growth rate increase. With that being said, the nucleation process in the Ag6Cu4 alloy is immediate when on a Pt interface but when on a Cu interface, the process exhibits a slower rate. The crystallization process for the CuAu alloy on a Pt interface occurs over a longer period of time than that of the Ag6Cu4 alloy, but in the vicinity of a Cu interface, the time interval is considerably slow. By changing the amount of supercooling and varying the interface, we are able to examine the close-packed (CP) and icosahedral (Ih) order exhibited and understand how these changes impact the system.