The mechanical properties of Ni-base superalloys are strongly influenced by ordered gamma'-Ni3Al precipitates, whose growth and coarsening are controlled by the site occupancy of elements within the structures. The site occupancy behavior of Cr in gamma'-Ni3Al is investigated by ab initio based Density Functional Theory based computational studies and 3D atom probe tomography. Three formalisms related to site occupancy are discussed, including standard defect formation formalism, antisite based formalism, and ...
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