T. Egami

Atomic size effect on the formability of metallic glasses

Abstract The minimum solute concentration in a binary alloy system necessary to obtain a stable amorphous phase by rapid quenching, C B min , collected from the published reports on glass formation of 66 systems, was found to be inversely correlated with the atomic volume mismatch, | (v b −v A v A | , where v A is the atomic volume of the matrix and v B is the atomic volume of the solute. The atomic scale elasticity theory was developed to calculate the atomic level stresses in solid solution, which led to the stress criteria for the topological instability of solid solution. It was found that C B min is closely correlated with the critical solute concentration for the topological instability of solid solution. This result indicates that the atomic size ratio between the constituent elements is the most important factor in the determination of value of C B min , and the amorphous alloys are stabilized partly because the solid solutions of the corresponding compositions are topologically unstable.

Structural defects in amorphous solids A computer simulation study

Abstract A definition of structural defects in amorphous solids in terms of the distribution of the internal stresses on the atomic level and of the symmetry of the environment of individual atoms is introduced. This definition does not require an ideal reference structure. The concept of the internal stresses on the atomic scale has been previously applied to describe the core structure of crystalline dislocations. In this paper it has been applied to the model amorphous structure generated by a computer simulation. It was found that there is a significant variation in the magnitude and direction of internal stresses, and that there are regions of 10 to 20 atoms over which the stresses remain either high or low. A method of calculating the symmetry coefficients at atomic sites has been proposed, and applied to the same system. It has been shown that there are significant correlations between the internal stresses and the local symmetry. The low-stress, high-symmetry regions resemble microcrystalline clus...

Structural relaxation in amorphous alloys - compositional short range ordering

Abstract Effects of annealing treatment on the physical properties of amorphous alloys obtained by splat cooling are discussed. Three mechanisms, diffusion, topological short range ordering, and compositional short range ordering, have been identified to cause these effects, and the physical properties are classified accordingly. A more detailed discussion is given on the compositional short range ordering, and magnetic data which supports our view is presented.

Structural defects in amorphous solids Statistical analysis of a computer model

Abstract The possibility of defining structural defects in amorphous solids in terms of parameters such as atomic-level internal stresses and local symmetry coefficients was proposed in a previous paper (Egami, Maeda and Vitek 1980). Using a model amorphous structure generated by a computer, these parameters are statistically analysed in the present paper. It is shown that the stress and the symmetry coefficients are closely correlated and that spatial correlations of various kinds exist. The structural defects are then defined as regions in which the corresponding characterizing parameter deviates significantly from its average value. Two distinct classes of defects were found; (i) positive (p-type defects) and negative (n-type defects) local density fluctuations; and (ii) regions of large shear stresses and large deviations from spherical symmetry. Defects consisting of pairs of p-type and n-type defects separated by regions of large shear stresses are also common. The effect of annihilation of p- and n...

Universal criterion for metallic glass formation

It is proposed that a simple criterion for topological instability applied to local atomic structure can explain a wide variety of phase transition phenomena involving metallic elements and alloys. These include melting, alloy formation, glass transition, solid state amorphization, and glass formation by rapid quenching. It can also provide a microscopic basis to explain the local structure of metallic glasses and their relaxation phenomena. Such simple theories are complementary to precise numerical computational theories in facilitating full understanding of the phenomena.

An atomistic study of deformation of amorphous metals

Abstract The computer simulation of a shear deformation of a model monoatomic amorphous metal has been performed. The strain was applied incrementally, relaxing the structure at each step. The complete stress-strain curve was thus obtained. A large number of microscopic deformation events have been observed and analyzed using the description of the local atomic structure by the atomic level stresses. Although no temperature effects have been included in the present study the calculated stress-strain curve is in very good agreement with the stress-strain curves measured experimentally at or above room temperature. The common feature of these experiments and present calculations is, however, the homogeneity of the deformation. Hence, it is argued that fundamental microscopic deformation mechanisms are the same at low and high temperatures and the macroscopic differences arise owing to the strain localization in the former case. The regions of inhomogeneous atomic movement which results in plastic deformation, have not been found to be correlated with local density fluctuations in contrast with assumptions of the models based on free volume theory. They are, however, correlated with regions of high shear stresses, called τ-defects. These defects are formed during the deformation, are sustained by the applied stress and appear to act as stress concentrators in the vicinity of which a localized viscous flow develops.

Structural relaxation in amorphous Fe40Ni40P14 B6 studied by energy dispersive X-ray diffraction

The atomic structure and the structural relaxation of amorphous Fe40Ni40P14B6 alloy were studied using the energy dispersive X-ray diffraction method. It was demonstrated that the structure of the amorphous alloy can be determined self-consistently with high accuracy by this method. The results indicated that the structural relaxation is a highly collective process involving many atoms, and can be described in terms of the redistribution and transformation of the structural defects.

Direct observation of the formation of polar nanoregions in Pb(Mg1/3Nb2/3)O3 using neutron pair distribution function analysis

Using neutron pair distribution function analysis over the temperature range from 1000 to 15 K, we demonstrate the existence of local polarization and the formation of medium-range, polar nanoregions (PNRs) with local rhombohedral order in a prototypical relaxor ferroelectric Pb(Mg(1/3)Nb(2/3))O3. We estimate the volume fraction of the PNRs as a function of temperature and show that this fraction steadily increases from 0% to a maximum of approximately 30% as the temperature decreases from 650 to 15 K. Below T approximately 200 K the volume fraction of the PNRs becomes significant, and PNRs freeze into the spin-glass-like state.

Magnetic amorphous alloys: physics and technological applications

Magnetic amorphous alloys obtained by rapid quenching of the melt are excellent soft magnetic materials with a wide range of technological applications. They also represent a significant challenge to the scientific understanding of magnetic materials, since most of the existing theories of solids assume lattice periodicity. For these reasons, the magnetic and other properties of amorphous alloys have been very actively studied over the last decade. In recent years increasing attention has been directed to the fundamental understanding of the structural, thermal and magnetic properties of the amorphous alloys. It is not only scientifically but also technologically important to achieve such an understanding, since the amorphous alloys are, in many respects, so different from conventional crystalline magnetic materials. The author attempts to summarise recent progress in research on magnetic amorphous alloys and critically assesses the present level of understanding of this new class of magnetic materials, focusing mostly on the transition-metal-metalloid glasses. He starts with a review of early developments and a discussion on the nature of glasses and glass formation and proceeds to an extensive discussion of their atomic structure, both from the experimental and theoretical points of view.

Structural analysis of complex materials using the atomic pair distribution function — a practical guide

Abstract Modern materials and their properties are often characterized by varying degrees of disorder. Routine crystallographic structure solution only reveals the average structure. The study of Bragg and diffuse scattering yields the local atomic arrangements holding the key to understanding increasingly complex materials. In this paper we review the pair distribution function technique used to unravel the local structure. We aim to give a practical overview and make this method easily accessible to the wider scientific community.