High-resolution electron microscopy studies of antiphase boundaries in Cu3Au

We report the results of a crystallographic analysis of antiphase boundaries (APB) in Cu₃Au obtained by using high-resolution electron microscopy. Our observations corroborate the conclusions of previous work, based on conventional electron microscopy, which indicate that antiphase boundaries are mainly located in the cube planes. We found that the deviation of the average APB orientation from the cube planes is related to the formation of kinks on an atomic scale. Moreover, the identification of the boundary plane shows that the APBs are mostly conservative. These results are discussed and interpreted in the framework of a pairwise potential approach with predominant nearest neighbor interactions.     

Influence of the antiphase domain structure on the long-range atomic order parameter in the Ni3Mn alloy with superstructure L12

The antiphase domain structure in the Ni₃Mn alloy with superstructure L1₂ with various manganese contents has been studied. It has been found that a deviation of the alloy composition from the stoichiometry leads to the formation of manganese oxides at the antiphase domain boundaries and grain boundaries. With an increase in the antiphase domain sizes, the domain size distribution function changes from the normal to lognormal, and the degree of long-range atomic order decreases.     

The effect of antiphase domains on the energy spectra of special boundaries in alloys with the <Emphasis Type="Italic">L</Emphasis>1<Subscript>2</Subscript> superstructure

The special grain boundaries in ordering alloys with the L1₂ superstructure have been investigated by optical metallography and transmission diffraction electron microscopy. The relative energy of the boundaries Σ3 and Σ9 in Ni₃Fe alloy with a short-range order is determined. The energy of these boundaries in an alloy with long-range order is estimated. The energy of twin grain boundaries increases at the phase transitions A1 → L1₂ due to the formation of antiphase grain boundaries in those boundaries. The spectra of special boundaries over Σ and their distributions, depending on the relative energy, change as well. The average relative energy of special grain boundaries in alloys with the L1₂ superstructure increases with increasing the energy of antiphase boundaries.     

Atomic configurations of antiphase boundaries IN Lla superlattice alloys: APB of 1/2 <110> {110} type

An antiphase boundary of 1/2 <100> {110} type in equilibrium with atomic displacements is examined, such as occurs in an ordered alloy with Ll₂ superlattice. The effects from discrepancies in the atomic radii are evaluated along with those from differences in atomic interaction in a parallel simulation of the lattice states near planar defects in ordered Cu₃Au and Ni₃Fe. It is found that there are substantial differences in the local deformations at these boundaries by comparison with other types of planar defect: there are parallel planes involving compression and stretching together with oscillating atomic displacements perpendicular to the boundary, which die away at the eighth plane from the APB. It is found that the region of local deformation out to which the continuum theory of elasticity does not apply extends to ten planes of {110} type.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 49–52, July, 1987.     

Effects of atomic size on antiphase boundary energy in solid solutions

The energy of an antiphase boundary has been calculated by means of Pines's elastic spheres method, as modified by incorporating the dependence of atomic size on the neighbors in the first coordination sphere, which represents an advance in the theory of ordered solid solutions. There is a reduction in the elastic strain energy when a nonequilibrium antiphase boundary is formed in CuZn, and if this is incorporated one obtains realistic values for the energies of such boundaries; in AuCu₃ the elastic strain energy increases the energy of an antiphase boundary of octahedral type. The change in the elastic strain energy in a nonequilibrium antiphase boundary constitutes a considerable part of the total energy change given by the quasichemical theory, and it introduces substantial corrections into the antiphase-boundary energy for CuZn and AuCu₃.     

Investigation of changes in the order parameters near antiphase boundaries in the Cu<Subscript>3</Subscript>Au alloy

Investigation of the specific features of order-disorder structural phase transitions in ordering alloys in the presence of antiphase boundaries of conservative and nonconservative types has been performed in a computer experiment by the example of the model Cu₃Au alloy. The distributions of the long-range and short-range order parameters in the planes parallel to antiphase boundaries have been obtained by the Monte Carlo method for different temperatures. The mechanisms of disordering near conservative and nonconservative boundaries in ordering alloys are revealed. It is shown that the effect of diffusion of superstructural parameters is significant near nonconservative antiphase boundaries in comparison with conservative boundaries. Obviously, nonconservative boundaries can make a relatively large contribution to the effect of positive temperature dependence of the yield strength of ordering alloys with the L1₂ superstructure.     

Specific features of the strain-induced order-disorder phase transition and its mechanisms

In the present paper, the methods of x-ray diffractometry are used to investigate the influence of plastic deformation on the long-range atomic order in alloys with L1₂, L1₂(M), and L1₂(MM) superlattices. The influence of ordering energy, initial values of the long-range order parameter, and average sizes of antiphase domains on the specific features of the dependence of long-range order parameter on the strain degree is considered. It is demonstrated that the wetted strain-induced order-disorder phase transition occurs with rapid accumulation of antiphase boundaries that play an important role in the destruction of long-range atomic order.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 21–32, September, 2004.     

Effects of substitutional impurity Au and Si atoms on antiphase boundary energies in Ti3Al: A first principles study

Effects of substitutional impurity atoms Au and Si on the energies of antiphase boundaries (APBs) on {1100} and (0001) planes in a Ti₃Al intermetallic compound were examined using first principles calculations. Au additions reduce the energies of APBs on both {1100} and (0001) planes by up to more than 40%. The reduction tends to be more remarkable especially when the added Au atom has larger number of Al atoms on its second-nearest neighbor sites rather than on first-nearest neighbor ones. In addition, in the case of Si addition, a significant energy reduction was found only for APBs on (0001) planes, and no remarkable dependence of APB energies on the coordinating atoms was found even for APBs on (0001) planes. These results are crucial to both understanding of the effect of APBs on the impurity diffusivity and predicting the ability of impurity atoms to stabilize antiphase domain structure that increases the strength of Ti₃Al dramatically.     

The theory of equilibrium antiphase boundaries in ordered solid solutions of the AuCu3 type

The Gorsky-Bragg-Williams approximation gives expressions which determine the equilibrium values of the long-range-order parameter and the concentrations of components in the vicinity of the antiphase boundary 1/2 (110) {111} in an L1₂ super-structure of stoichiometric composition AB₃. On the assumption that the changes in the alloy due to the presence of an antiphase boundary are distributed over a great number of planes on both sides of the boundary, the long-range-order parameter and the concentration of components in these planes have been calculated. It is found that the long-range-order parameter at the antiphase boundary is considerably lower than it is in the matrix over a wide temperature range. The concentration of the components at the antiphase boundary under conditions of thermodynamic equilibrium is somewhat lower than the mean concentration in the alloy.Estimates are made of the critical stress for the start of superdislocations with equilibrium antiphase boundaries, the equilibrium width of the superdislocations, and the defect in the elastic modulus due to the reversible movement of the superparticle dislocations.     

Energy of planar defects in the Ni<Subscript>3</Subscript>Al phase: Theory and experiment

The Ni₃Al phase with an L1₂ surperstructure exhibits a clearly pronounced positive temperature dependence of the yield stress. The nature of this phenomenon is still not clearly understood. The temperature dependence of the yield stress under consideration is determined, in many respects, by the structure of glide superdislocations and planar defects of these superdislocations involved in the L1₂ superstructure. A critical analysis is made of the current state of the art in the solution of the problem regarding the energy of antiphase boundaries in planes of an octahedron and a cube, as well as the energy of stacking faults in the Ni₃Al phase.     

The lattice deformation and the energy of antiphase boundaries in Fe-Si alloys

The lattice deformation across the antiphase boundary and the energy of both types (a/2111 anda(100) of antiphase boundaries lying in {110} plane are calculated using a series of three interatomic potentials fitted to experimental data. It is shown that the relaxation of atomic planes in the vicinity of antiphase boundary is important for thea/2111 antiphase boundary and is negligible for a 100 antiphase boundary in the DO₃ structure.The author is grateful to Dr. F.Kroupa and to Dr. A.Gemperle for valuable discussions.     

T.E.M. study of Al2O3 metastable phases

Plasma spraying was employed to obtain rapidly solidified dense metastable alumina samples. They have been studied after being sprayed and in various annealed states by transmission electron microscopy and X-ray powder diffraction.

The so-called “γ” phase has been imaged by T.E.M. and exhibits a more or less ordered domain structure with quasi-periodic 1/4 <110> antiphase boundaries in the {100} planes of the defective spinel lattice.

Heating “γ” between 850 and 1050°C leads to more ordered intermediate phases. They are shown to appear through a two-dimensional antiphase periodic boundaries mechanism. Aluminum vacant sites are likely located along the antiphase planes and their concentration (Al_2.66□_0.33O₄) is consistent with the observed periodicities. The “δ” and “θ” forms are considered as variants of this structure.     

Asymmetrical twin boundaries and highly dense antiphase domains in BaNb0.3Ti0.7O3 thin films

Asymmetrical twin boundaries and highly dense antiphase domains were identified by means of transmission electron microscopy in a perovskite-based BaNb_0.3Ti_0.7O₃ thin film grown by laser molecular beam epitaxy on a SrTiO₃ (001) substrate. The microstructural characteristics of the BaNb_0.3Ti_0.7O₃ film were clarified in terms of lamellar {111} twins and antiphase domains, the domain boundaries of which are 1/2?110? stacking faults. It is proposed that the intersections of (111) twinning with the antiphase domain boundaries result in the asymmetrical twin boundaries.     

Monte Carlo simulation of antiphase boundaries and growth of antiphase domains in Al5Ti3 phase in Al-rich γ-TiAl intermetallics

Predominantly two kinds of antiphase boundaries (APBs) form in Al₅Ti₃, which is an Al-rich ordered derivative of the γ-TiAl (L1₀) phase. This phase can be viewed as a periodic arrangement of lean rhombs and squares on the Ti-rich (002) planes of the tetragonal L1₀. Energies of the two types of APBs were varied in a Monte Carlo simulation by suitably changing the pair interaction parameters. APBs of both types form boundaries of Al₅Ti₃ antiphase domains (APDs), which coarsen with time. An important observation in this regard is that mostly facetted APBs form at lower ageing temperatures, whereas curved APBs appear to form at relatively higher ageing temperatures. The findings of this work suggest that there exists a critical temperature, akin to the roughening transition temperature for crystals, that marks the transition from facetted to curved APBs.     

Mechanism of Strain-Induced Breaking the Long-Range Atomic Order in Alloys with the L12 Superlattice Caused by Accumulation of Dislocation Walls

The mechanism of strain-induced breaking the long-range atomic order in alloys with the L1₂ superlattice caused by rearrangement of dislocations in dislocation walls is examined. A mathematical model of strain-induced breaking the long-range atomic order caused by accumulation of dislocation walls is constructed. The dependence of the long-range order parameter on the strain degree is calculated for alloys with high- and low-energy antiphase boundaries.     

Etching of slip produced antiphase domain boundaries in iron-silicon alloys

A method for revealing the slip produced antiphase domain boundaries in nearly stoichiometric ordered Fe₃Si alloys by chemical etching in a solution of HF + H₂O₂ + H₂O is reported. The method was applied to determine the character of superlattice dislocations in strained crystals. Perfect superlattice dislocations were found at the beginning of deformation. Imperfect superlattice dislocations producing antiphase domain boundaries were found at higher deformations.     

Atomic structure of grain boundaries in YBa2Cu3O7-δ as observed by Z-contrast imaging

Determination of the atomic structure of grain boundaries is the key to fundamental understanding of the critical current density in polycrystalline superconductors. High-resolution images with incoherent characteristics, obtained using a high-angle annular detector on an atomic resolution scanning transmission electron microscope, are used to study the atomic arrangements of these technologically important boundaries. The incoherent Z-contrast images do not experience contrast reversals with defocus or sample thickness and display no Fresnel Fringe effects at boundaries. Observed rigid shifts of atomic columns at grain boundaries are independent of sample thickness and objective lens defocus. These characteristics allow unambiguous and intuitive interpretations of the generated images. We find the atomic structures at grain boundaries in YBa₂Cu₃O_7-δ are strongly influenced by the strong tendency of this compound to exist only as complete unit cells terminated at {001} and {100} planes. The weak-link behavior associated with high-angle grain boundaries may follow from this structure in which there is no clear connection between the {100} facets of adjacent grains. Symmetric grain boundaries where adjacent grains share a common boundary plane have also been observed in YBa₂Cu₃O_7-δ. In these boundaries partial structural coupling of the grains is maintained. There is evidence that these two boundary forms produce junctions with very different superconducting properties.     

Special features of the deformation-induced order-disorder phase transition and its modeling

Methods of x-ray diffractometry are used to investigate the influence of plastic deformation on the state of the long-range order in alloys with the L1₂, L1₂(M), and L1₂(MM) superstructure. It is demonstrated that the heterogeneous order-disorder phase transition accompanied by intensive accumulation of antiphase boundaries occurs under plastic deformation. The antiphase boundaries play an important role in the destruction of long-range order. Based on the available experimental results, a model of destruction of long-range order is constructed that takes into account the dislocation mechanisms of accumulation of antiphase boundaries under deformation. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 9–24, January, 2006.     

Segregations at antiphase boundaries in hexagonal close-packed superstructures. II

As was shown in the first part of this study [1], slip occurs in polycrystalline ordered Mg₃Cd, which has a DO₁₉ superstructure, along the {0001} basis planes, {1010} prismatic planes, and {1011} and {1012} pyramidal planes [2,3]. The formation of segregations at antiphase boundaries (APB's) in the {0001} basis and {1011} pyramidal planes was also examined there [1]. Segregations at APB's in planes are treated in this second part of the study. A zero-energy APB may form in the prismatic plane [4]. Segregation of atoms, on the other hand, is not allowed at such an APB according to the Gorskii-Bragg-Williams theory if correlation and interaction in the second and higher coordination spheres are not taken into account.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, Vol. 12, No. 5, pp. 62–70, May, 1969.The authors thank N. S. Golosov and N. V. Kozhemyakin for discussion of this study and valuable advice.