“Coloring problem” for γ-brasses: Cu9-xAl4+x

CHED 954

Ruth B. Cink, rcink@nwciowa.edu, Department of Chemistry, Northwestern College, 208 8th Street SW, Orange City, IA 51041 and Gordon J. Miller, gmiller@iastate.edu, Department of Chemistry and Ames Laboratory, Iowa State University, Ames, IA 50011.
To elucidate chemical influences on intermetallic structures, the Cu-Al binary system in the γ-brass region was studied by electronic structure calculations. Cu9Al4 is constructed of two distinct 26-atom clusters, [Cu22Al4] and [Cu14Al12]. These clusters are characterized by the different size of inner tetrahedra and outer tetrahedra, suggesting that the chemical composition has some effect on the unit cell structure. Different atomic arrangements of Cu and Al atoms were explored for the composition Cu9Al4 and “Cu8Al5” by tight-binding LMTO calculations.
 

Undergraduate Research Poster Session: Physical Chemistry
2:00 PM-4:00 PM, Monday, April 7, 2008 Morial Convention Center -- Hall A, Poster

Division of Chemical Education

The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008