9619353 Adams This award is a GOALI (Grant Opportunities for Academic Liaison with Industry) grant which is co-funded by the Division of Materials Research and Directorate for Mathematical and Physical Sciences' Office of Multidisciplinary Activities. It involves collaborative research between Arizona State University and ALCOA. The grant has two objectives. One objective is to use density functional theory methods to determine adhesive energies between aluminum alloys and selected tool coating materials. The electronic structure of each system will be analyzed to determine the critical factors that control adhesion. This study will yield the first reliable database on metal-coating adhesion energies, including the effect of the most common alloying elements (Cu, Mg, Si, Mn, Zn). This database will serve as an invaluable design tool for almost all aluminum manufacturing processes that involve load transmission through tooling/workpiece interface. The second objective of the research is to simulate adhesive metal transfer at the atomic scale. This will involve some small-scale quantum molecular dynamics simulations, and some larger-scale empirical molecular dynamics simulations. Simulations will focus on small scale plastic deformation during bulk forming processes. Finally, based on results of this work, selected coating materials will be tested by the ALCOA adhesive wear research group using an adhesion balance in ultrahigh vacuum. Altogether, these studies will aid in the selection of coating materials for aluminum forming processes such as rolling, extrusion, forging and continuous casting. %%% This award is a GOALI (Grant Opportunities for Academic Liaison with Industry) grant which is co-funded by the Division of Materials Research and Directorate for Mathematical and Physical Sciences' Office of Multidisciplinary Activities. It involves collaborative research between Arizona State University and ALCOA. The grant has two objectives. Firs t, calculations will be made of the strength of adhesion between aluminum alloys and various materials which are used for coatings in aluminum processing. These results will be helpful in designing aluminum manufacturing processes. Second, simulations of adhesive metal transfer at the atomic level will be done. The focus will be on plastic deformation during metal forming. The results of the calculations and simulations will be tested in ALCOA laboratories. ***
