Interfacial energies of tilt boundaries in aluminium. Experimental and theoretical determination

Theoretical and experimental determinations of grain boundary structures and energies: Correlation with various experimental results

Physical and chemical properties of solid materials are strongly. influenced by the chemical composition of internal interfaces, One of the crucial parameters affecting interfacial chemistry is the atomic structure of the interface. Due to its importance. a considerable amount of work was done to elucidate the relationship between structure and chemical composition of interfaces. This article reviews the present understanding of an important and fundamental part of this relationship, namely, the structural aspects of grain boundary segregation. After a brief outline of grain boundary structure and geometry. thermodynamic approaches to describe grain boundary segregation are summarized and their application to materials is discussed. covering particular sites at a single grain boundary as well as the role of interfaces in polycrystals. Both the experimental evidence of grain boundary segregation anisotropy and the theoretical results of computer simulations of grain boundary segregation are summar...

Thermodynamics and structural aspects of grain boundary segregation

A computer simulation study of (001) and (111) tilt boundaries: The multiplicity of structures

The partial-wave method is used for the calculation of the residual electrical resistivity caused by dislocations and grain boundaries in various metals. The dislocation core is regarded as a resonance scattering line defect containing surplus free volume. Scattering by elastic distortions of the lattice is neglected. An estimation of the effective carrier concentration in transition metals is performed on the basis of Mott's theory. The proposed model for the evolution of the grain-boundary structure with misorientation angle regards the approach and confluence of the line defects forming the boundary, and results in a decrease of the resonance part of the total scattering cross section. The high-angle grain boundaries are assumed to consist of cylindrical voids. Taking into account the values of the steady Burgers' vectors, quite satisfactory agreement with the available experimental data is obtained.

https://iopscience.iop.org/article/10.1088/0953-8984/6/4/007/pdf

Calculation of electrical resistivity produced by dislocations and grain boundaries in metals

On the basis of the classical assumption of interatomic central forces, a method is proposed for the computation of the structure and energy of a grain boundary: It is applied to the particular case of symmetrical tilt boundaries around [100] in Al and Cu. The resulting curve shows that the interfacial energy is almost independent of the angle θ except for values near 0° and 90° and for high density coincidence boundaries.

B. Baroux

Papers

Structure and energy of grain boundaries: Application to symmetrical tilt boundaries around [100] in aluminium and copper