Engineering topics

Bozzolo, Guillermo

Publications and source records attributed to Bozzolo, Guillermo.

61 records · Page 4

NASA NTRS1992

Method for calculating alloy energetics

A semiempirical method for the computation of alloy energies is introduced. It is based on the equivalent-crystal theory of defect-formation energies in elemental solids. The method is both simple and accurate. Heats of formation as a function of composition are computed for some binary alloys of Cu, Ni, Al, Ag, Pd, Pt, and Au using the heats of solution in the dilute limit as experimental input. The separation of heats into strain and chemical components helps in understanding the energetics. In addition, lattice-parameter contractions seen in solid solutions of Ag and Au are accurately predicted. Good agreement with experiment is obtained in all cases.

Bozzolo, Guillermo↗

NASA NTRS1991

Heats of formation of bcc binary alloys

The method of Bozzolo, Ferrante and Smith is applied for the calculation of alloy energies for bcc elements. The heat of formation of several alloys is computed with the help of the Connolly-Williams method within the tetrahedron approximation. The dependence of the results on the choice of different sets of ordered structures is discussed.

Bozzolo, Guillermo↗

NASA NTRS1991

A new approximate sum rule for bulk alloy properties

A new, approximate sum rule is introduced for determining bulk properties of multicomponent systems, in terms of the pure components properties. This expression is applied for the study of lattice parameters, cohesive energies, and bulk moduli of binary alloys. The correct experimental trends (i.e., departure from average values) are predicted in all cases.

Bozzolo, Guillermo↗

NASA NTRS1991

Theoretical modelling of AFM for bimetallic tip-substrate interactions

Recently, a new technique for calculating the defect energetics of alloys based on Equivalent Crystal Theory was developed. This new technique successfully predicts the bulk properties for binary alloys as well as segregation energies in the dilute limit. The authors apply this limit for the calculation of energy and force as a function of separation of an atomic force microscope (AFM) tip and substrate. The study was done for different combinations of tip and sample materials. The validity of the universality discovered for the same metal interfaces is examined for the case of different metal interactions.

Bozzolo, Guillermo↗

NASA NTRS1991

Equivalent crystal theory of alloys

Equivalent Crystal Theory (ECT) is a new, semi-empirical approach to calculating the energetics of a solid with defects. The theory has successfully reproduced surface energies in metals and semiconductors. The theory of binary alloys to date, both with first-principles and semi-empirical models, has not been very successful in predicting the energetics of alloys. This procedure is used to predict the heats of formation, cohesive energy, and lattice parameter of binary alloys of Cu, Ni, Al, Ag, Au, Pd, and Pt as functions of composition. The procedure accurately reproduces the heats of formation versus composition curves for a variety of binary alloys. The results are then compared with other approaches such as the embedded atom and lattice parameters of alloys from pure metal properties more accurately than Vegard's law is presented.

Bozzolo, Guillermo↗

NASA NTRS1991

Universal behavior in ideal slip

The slip energies and stresses are computed for defect-free crystals of Ni, Cu, Ag, and Al using the many-atom approach. A simple analytical expression for the slip energies is obtained, leading to a universal form for slip, with the energy scaled by the surface energy and displacement scaled by the lattice constant. Maximum stresses are found to be somewhat larger than but comparable with experimentally determined maximum whisker strengths.

Bozzolo, Guillermo↗

NASA NTRS1989

Avalanche in adhesion

Consider surfaces being brought into contact. It is proposed that atomic layers can collapse or avalanche together when the interfacial spacing falls below a critical distance. This causes a discontinuous drop in the adhesive binding energy. Avalanche can occur regardless of the stiffness of external supports. A simple understanding of the origin of this phenomenon is provided. A numerical calculation has been carried out for adhesion in Ni. A new wear mechanism due to avalanche is suggested.

Smith, John R.↗