Applied Surface Science, Vol.219, No.1-2, 47-55, 2003
Theoretical description of the interdiffusion of Al in the U-Mo solid solution
The Bozzolo-Ferrante-Smith (BFS) method for alloys was applied to the analysis of Al interdiffusion in the U-Mo solid solution system as a function of Mo concentration. The binary Al/U and Al/Mo systems show opposite behavior, which in the ternary case Al/U-Mo, translates into the role of regions rich in Mo acting as interdiffusion barriers to Al, in excellent agreement with experimental evidence. (C) 2003 Elsevier Science B.V. All rights reserved.
Keywords:adatoms;alloys computer simulations;uranium;molybdenum;aluminum;semi-empirical methods and model calculations;single crystal surfaces;surface structure