Slip transfer at coherent twin boundaries in Ni3Al and ordered Cu3Au

Slip transfer at coherent twin boundaries in L1₂-ordered alloys has been investigated by analysis of plastically deformed Cu₃Au and Ni₃Al specimens in a transmission electron microscope. A comparison between the ex situ deformed material and previous in situ experiments is made. In ordered Cu₃Au, antiphase boundaries induced by slip transfer have been found at a coherent twin boundary (CTB), similar to the in situ deformed material. On the other hand, in Ni₃Al superlattice intrinsic stacking faults (SISFs) were detected at CTBs which have not been observed in in situ deformed material. A possible mechanism for SISF formation is discussed. The transfer of slip, and the associated creation of stacking faults at CTBs in both materials is described in terms of absorption of superdislocations in the boundary and the general criteria for slip transfer at grain boundaries.     

Order-discharge transition in Ni3Fe alloy

The order-disorder phase transition in Ni₃Fe alloy (26.4 at.% Fe) is investigated experimentally, determining the transition temperature, the size of the antiphase domains, the temperature dependence of the degree of long-range order, and the lattice parameter. The differing and common features of the order -disorder transition in the alloys Ni₃Fe and Cu₃Au are discussed, and the temperature dependence of the degree of long-range order in these alloys is compared with theoretical predictions, including results obtained by the Green's function method in the present work.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 32–39, May, 1977.     

Influence of the Order-Disorder Phase Transition on the Grain Structure of Iron–Palladium Alloy

Transmission diffraction electron microscopy and optical metallography are used to investigate the grain structure and the crystallographic parameters of grain boundaries in Pd₃Fe alloy with short- and long-range atomic orders having the superstructure L1₂. It has been found that ordering annealing of the Pd₃Fe alloy with the ordering temperature T _K lower than the recrystallization temperature is accompanied by changes in the grain structure. The average distance between the nearest boundaries and the average grain size decrease. The fraction of twinning boundaries for which the inverse density of coinciding lattice sites () is equal to 3 increases. This results in a decrease of the twinning boundary energy. A comparative analysis of changes in the grain structure of Ni₃Fe and Pd₃Fe alloys at the A1 L1₂ phase transition is performed. The mechanisms of changes of the grain structure during ordering annealing are discussed.     

Dislocation formation and twinning from the crack tip in Ni3Al: molecular dynamics simulations

The mechanism of low-temperature deformation in a fracture process of L12 Ni3Al is studied by molecular dynamic simulations.Owing to the unstable stacking energy,the [01ˉ1] superdislocation is dissociated into partial dislocations separated by a stacking fault.The simulation results show that when the crack speed is larger than a critical speed,the Shockley partial dislocations will break forth from both the crack tip and the vicinity of the crack tip;subsequently the super intrinsic stacking faults are formed in adjacent {111} planes,meanwhile the super extrinsic stacking faults and twinning also occur.Our simulation results suggest that at low temperatures the ductile fracture in L12 Ni3Al is accompanied by twinning,which is produced by super-intrinsic stacking faults formed in adjacent {111} planes.     

Impurity effect of Me=Cr,Nb or Mn third component atoms on hyperfine interactions in ordered Ni3Fe alloy

Investigations of atomic ordering in Ni₃Fe, Ni₃(Fe, Nb), Ni₃(Fe,Cr) and Ni₃(Fe, Mn) alloys at room temperature in disordered and ordered states have been carried out by Mössbauer spectroscopy method. The experimental results confirm that in case of Ni₃Fe superstructure stabilization is achieved by Nb and Mn atoms, the Cr atoms disturb this structure.     

Atomic configuration of antiphase boundaries in alloys

Computer simulation methods in the approximation of pairwise interatomic Morse potentials are used to calculate the atomic configurations and the energy of formation of 1/2 <110> {111} antiphase boundaries in ordered Cu₃Au and Ni₃Fe alloys. Atomic displacements result in considerable smearing of the first five planes closest to an antiphase boundary and a slip of atomic planes. These effects substantially reduce the energy of formation of antiphase boundaries. The influence of the size factor on the atomic configuration on the antiphase boundaries is discussed.Translated from Izvestiya Vysshykh Uchebnykh Zavedenii, Fizika, No. 2, pp. 43–47, February, 1985.In conclusion, the authors express their thanks to A. I. Tsaregorodtsev for useful discussion of this work.     

Lattice dynamics of some binary alloys

Summary The phonon dispersion frequencies for Cu₃Au, Cu₃Zn and Ni₃Fe alloys have been calculated using the model potential approach. The contribution of a short-range three-body interaction to the dynamical matrix has also been included in the present study. The theoretically computed phonon dispersion curves of these alloys are found to be in good agreement with the experimental data.     

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.     

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.     

Effect of atomic displacement on the parameters of the grain boundary ensemble in nickel-based alloys with <Emphasis Type="Italic">L</Emphasis>1<Subscript>2</Subscript> superstructure

The effect complex stacking fault energy and mean-square atomic displacement have on the parameters of the grain boundary ensemble in nickel-based alloys with L1₂ superstructure is established experimentally. The higher the complex stacking fault energy, the lower the average number of special grain boundaries per parent grain. The lower the mean-square atomic displacement, the smaller the proportion of the Σ3 twins in the special grain boundary spectrum.     

PdAu25Fe21和PdAu24Fe21Al4合金反常电磁特性的研究

PdAu₂₅Fe₂₁和PdAu₂₄Fe₂₁Al₄合金(以下简称PdAuFe,PdAuFeAl)分别在临界温度500℃和550℃产生无序—有序转变。有序相是典型的Cu₃Au型结构。有序化时合金由铁磁体转变为反铁磁体,电导率和磁化率大大减小,热电势改变符号。研究结果表明,合金反常的电磁特性起因于原子的有序排列和d带电子能态的变化。 关键词：     

Phase equilibrium of binary alloys having the Cu3Au structure (GBW approximation)

The order-disorder state diagram is found in the Gorskii-Bragg-Williams approximation for alloys having a Cu₃Au superstructure, with account taken of the energies corresponding to the interaction of atoms in the first and second coordination spheres. The composition dependence of the degree of long-range order is calculated for various temperatures, and this dependence is found for the phase-transition temperature.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 43–46, April, 1971.     

The nature of distribution of atoms,and its connection with electron structure in a number of ternary alloys on Ni3Mn basis

The influence of alloying the Ni₃Mn alloy with titanium, vanadium, or copper, on the superstructure of the alloy, was studied by the neutron diffraction method. It was shown that Ti, V, and Al stabilize the superstructure of Ni₃Mn, and Cu actively destroys it. The distribution of atoms of the alloying elements along the sites of fcc lattice and its connection with the electron structure of the alloy was analyzed. The different influence of alloying with a third element on the superstructure in alloys Ni₃Mn and Ni₃Fe is explained.     

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.     

The short-range order and ordering energies in gold-copper polycrystalline alloys that are rich in gold

The concentration dependence of the short-range order parameters in gold-rich polycrystalline disordered solid gold-copper solutions was investigated using the X-ray diffuse-scattering method. On the X-ray diffuse-scattering patterns of disordered alloys with 75, 83, and 90% gold, diffuse maximums that are typical of short-range order were absent in the region of the possible superstructure reflex (100), but in the region of the possible reflex (110), an intensity rise on the scattering patterns was revealed that noticeably depended on the gold concentration. The application of the method, taking the effects of static displacements on the considered coordination spheres into account, allowed the determination of short-range order parameters for nine coordination spheres. The spectra of short-range order parameters, which was calculated using the least-squares method, had the long-range sign-alternating representation that is inherent in the Cu₃Au superstructure. The absolute values of short-range order parameters were detected to decrease with an increase of the gold content in the alloys. The concentration dependence and small values of ordering energy of investigated polycrystalline alloys were revealed on the first coordination sphere using the Clapp-Moss method.     

Predicting macroscopic thermal expansion of metastable liquid metals with only one thousand atoms

Results of thermal expansion prediction from atomic scale for metastable liquid metals are reported herein. Three pure liquid metals Ni, Fe, and Cu together with ternary Ni₆₀Fe₂₀Cu₂₀ alloy are used as models. The pair distribution functions were employed to monitor the atomic structure. This indicates that the simulated systems are ordered in atomic short range and disordered in long range. The thermal expansion coefficient was computed as functions of temperature and atom cutoff radius, which tends to maintain a constant when the cutoff radius increases to approximately 15 Å. In such a case, slightly more than 1000 atoms are required for liquid Ni, Cu, Fe and Ni₆₀Fe₂₀Cu₂₀ alloy, that is, the macroscopic thermal expansion can be predicted from the volume change of such a tiny cell. Furthermore, the expansion behaviors of the three types of atoms in liquid Ni₆₀Fe₂₀Cu₂₀ alloy are revealed by the calculated partial expansion coefficient. This provides a fundamental method to predict the macroscopic thermal expansion from the atomic scale for liquid alloys, especially in the undercooled regime.     

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.     

Effect of the magnitude of long-range atomic order and the size of antiphase domains on the grain structure and special grain boundary parameters in L12-superstructure alloys

It is found means of X-ray structural analysis, transmission electron microscopy, scanning electron microscopy combined with electron backscatter diffraction, and optical metallography that the reduction of the integral magnitude of the long-range atomic order in Ni₃Mn and Pd₃Fe L1₂-superstucture alloys ordered through the A1 + L1₂ two-phase region is accompanied by antiphase domains coarsening and grains fining.     

Atomistic studies of the structure and composition of grain boundaries in Cu3Au and Ni3Al

In this paper we investigate the atomic structure and composition of grain boundaries in Cu₃Au (weakly ordered compound) and Ni₃Al (strongly ordered compound). Computer simulations employing both the molecular statics and Monte Carlo methods were performed and the Finnis-Sinclair type many-body central force potentials used. First, grain boundaries in stoichiometric alloys are studied with the goal to investigate the impact of ordering strength on the grain boundary structure and composition. In Cu₃Au grain boundaries may become compositionally disordered even at room temperature and the compositional disordering is associated with segregation of gold. In contrast, in Ni₃Al grain boundaries remain compositionally ordered up to very high temperatures. Secondly, the structures of grain boundaries and the effect of Ni and Al segregation in non-stoichiometric Ni₃Al are investigated. Nickel segregation leads to compositional disordering at grain boundaries, while aluminum segregation, which is strongly selective, leads to an ordered grain boundary structure with high Al content. The possible relationship between structural and compositional characteristics of grain boundaries and their mechanical properties, in particular the grain boundary brittleness and its alleviation by additional alloying, are then discussed in the light of the results of this study.     

Structural features of liquid metallic glass former

The structural parameters of Au₇₅Si₂₅ alloy, pure Au, Al₈₈Si₁₂, Cu₈₇Sn₁₃, In₉₈Al₂ and Al₉₃Ni₇ alloys have been measured by X-ray diffractometer. It is found that there are subpeaks in the pair correlation functions in liquid Au₇₅Si₂₅ alloy. The addition of Si in liquid Au results in a decrease in both the correlation radius and the coordination number of the nearest atomic neighbors. The Au₇₅Si₂₅ alloy nearest atomic distance has a more stable dependence on temperature compared to In₉₈Al₂, Al₉₃Ni₇ and Cu₈₇Sn₁₃ alloys. The atomic density change of liquid Au₇₅Si₂₅ alloy is less dependent on temperature than the liquid Au and Al₈₈Si₁₂ alloy. The liquid metallic good glass former Au₇₅Si₂₅ alloy possesses a more stable liquid structure than that of poor glass formers, indicating the essential of the fragility of the superheated melts.