An introduction to the BFS method and its use to model binary NiAl alloys
We introduce the Bozzolo–Ferrante–Smith (BFS) method for alloys as a computationally efficient tool for aiding in the process of alloy design. An intuitive description of the BFS method is provided, followed by a formal discussion of its implementation. The method is applied to the study of the defect structure of NiAl binary alloys. The groundwork is laid for a detailed progression to higher order NiAl-based alloys linking theoretical calculations and computer simulations based on the BFS method and experimental work validating each step of the alloy design process.
Atomistic Modeling of Surface and Bulk Properties of Cu, Pd and the Cu-Pd System
Abstract The BFS method for alloys is applied to the study of the Cu–Pd system. A variety of issues are analyzed and discussed, including the properties of pure Cu or Pd crystals (surface energies, surface relaxations), Pd/Cu and Cu/Pd surface alloys, segregation of Pd (or Cu) in Cu (or Pd), concentration dependence of the lattice parameter of the high temperature fcc CuPd solid solution, the formation and properties of low temperature ordered phases, and order–disorder transition temperatures. Emphasis is made on the ability of the method to describe these properties on the basis of a minimum set of BFS universal parameters that uniquely characterize the Cu–Pd system.
Prismatic Dislocations in β′ NiAl
Electron‐transmission studies have revealed the presence of 〈100〉 prismatic dislocation loops in a single crystal of β′ NiAl. Concentric loops observed in 〈100〉 foils were found to be coaxial rather than coplanar. A comparison of as‐grown, annealed, and quenched specimens has indicated that loop development depends on thermal history. Dislocation interactions were observed between coplanar loops. Interactions between segments of noncoplanar loops resulted in three‐dimensional arrays.