Add to ORKGUsing BFS, a new semiempirical method for alloys, we study the surface structure of fcc ordered binary alloys. We concentrate on the calculation of surface energies and surface relaxations for the L1(sub 0) and L1(sub 2) ordered structures. Different terminations of the low-index faces are studied. Also, we present results for the interlayer relaxations for planes close to the surface, revealing different relaxations for atoms of different species producing a rippled surface layer
We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool ...
The perpendicular and parallel multilayer relaxations of fcc (210) surfaces are studied using equiva...
Using ab initio calculations we investigated the surface energies of paramagnetic Fe1-c-nCrcNin rand...
The BFS method for alloys is applied to the study of surface alloy formation. This method was previo...
We present a detailed description of equivalent crystal theory focusing on its application to the st...
The aerospace industry has a need for new metallic alloys that are lightweight and have high strengt...
As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and mate...
The study of surface segregation, although of great technological importance, has been largely restr...
The BFS method has been applied to the study of NiAl-based materials to assess the effect of alloyin...
The composition of metal alloy surfaces is often different from that of the bulk. Some alloys exhibi...
Large-scale simulations of dynamic processes at the atomic level have developed into one of the main...
Recently, a new technique for calculating the defect energetics of alloys based on Equivalent Crysta...
A theory of surface effects at stepped surfaces in binary ordering alloys is presented. The model is...
The Bozzolo, Ferrante and Smith (BFS) method for alloys is applied to the study of the defect struct...
Recently, a semiempirical method for alloys based on equivalent crystal theory was introduced. The m...
We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool ...
The perpendicular and parallel multilayer relaxations of fcc (210) surfaces are studied using equiva...
Using ab initio calculations we investigated the surface energies of paramagnetic Fe1-c-nCrcNin rand...
The BFS method for alloys is applied to the study of surface alloy formation. This method was previo...
We present a detailed description of equivalent crystal theory focusing on its application to the st...
The aerospace industry has a need for new metallic alloys that are lightweight and have high strengt...
As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and mate...
The study of surface segregation, although of great technological importance, has been largely restr...
The BFS method has been applied to the study of NiAl-based materials to assess the effect of alloyin...
The composition of metal alloy surfaces is often different from that of the bulk. Some alloys exhibi...
Large-scale simulations of dynamic processes at the atomic level have developed into one of the main...
Recently, a new technique for calculating the defect energetics of alloys based on Equivalent Crysta...
A theory of surface effects at stepped surfaces in binary ordering alloys is presented. The model is...
The Bozzolo, Ferrante and Smith (BFS) method for alloys is applied to the study of the defect struct...
Recently, a semiempirical method for alloys based on equivalent crystal theory was introduced. The m...
We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool ...
The perpendicular and parallel multilayer relaxations of fcc (210) surfaces are studied using equiva...
Using ab initio calculations we investigated the surface energies of paramagnetic Fe1-c-nCrcNin rand...