Change in grain-boundary ensemble upon the A1 → L12 phase transition in Ni3Mn alloy

The grain structure of Ni₃Mn alloy is investigated in the states with short-range and long-range atomic orders that arise at the A1 → L1₂ phase transition. It is found that in ordering annealing, new boundaries of a general type form, the fraction of special-type boundaries (including twin boundaries) is reduced, the share of high-energy special boundaries with Σ > 11 increases, and the alloy’s texture is transformed into a “gray” texture.     

Molecular dynamics study of a classical two-dimensional electron system: positional and orientational orders

Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation functions, we have found an indication that the solid phase has a quasi-long-range (power-law correlated) positional order and a long-range orientational order. This implies that the long-range 1/r system shares the absence of the true long-range crystalline order at finite temperatures with short-range ones to which Mermin's theorem applies. We also discuss the existence of the “hexatic” phase predicted by the Kosterlitz–Thouless–Halperin–Nelson–Young theory.     

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.     

Long- and Short-Range Correlations in Genome Organization

We study the size distribution of coding and non-coding regions in DNA sequences. For most organisms we observe that the size distribution P _c(S) of the coding regions of size S shows short range distribution, whereas the size distribution of the non-coding regions follows a power-law decay P _nc(S) S ^{–1 –} , with power exponents indicating clear long-range behavior. We argue, using the Generalized Central Limit Theorem, that the long-range distributions observed in the non-coding are related to the lower level clustering of purines and pyrimidines (1d islands) which follow similar long-range laws. We also address the question of clustering of coding segments in the two complementary strands of DNA. We observe a short-range clustering of coding regions in both strands, expressed by an exponential decay in the clustering size distribution. The decay exponent expresses the degree of short-range correlations and the deviation from random clustering.     

Temperature dependence of the dislocation starting stress in Ni+17 at.% Cr

The K state can [1–7] have a marked effect on the mechanical parameters of homogeneous solid solutions containing transition elements. The K state is seen as a rise in resistance in low-temperature annealing after quenching from high temperatures and has been ascribed to the formation of short-range order [4, 5, 8–10] or of imperfect long-range order [6, 7]. The mechanical properties are also substantially affected. We have examined the effects on the dislocation starting stress as a function of temperature, as measured by mechanical hysteresis [18–20], in the K state range for Ni+17% Cr.     

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.     

Mössbauer study of paramagnetic-like behavior below the Néel temperature in a random mixture Fe x Mn1−x TiO3 withx<0.3

As a part of studies of the microscopic behavior of spins in a mixed compound with competing exchange interactions Fe _x Mn_1–x TiO₃, the Mössbauer technique has been applied to the samples withx=0.05, 0.10 and 0.20 which establish the antiferromagnetic long-range order at the respectiveT _N's and do not show reentrant transitions at lower temperatures. We have found that in each of the three samples, the paramagnetic doublet superimposes on the magnetically split spectrum belowT _N. The peak intensity of the paramagnetic doublet decreases with decreasing temperature and the paramagnetic doublet becomes undetected as sharp peaks at a temperature aroundT _N/2. However, the spectra observed at temperatures lower thanT _N/2 suggest that the paramagnetic doublet still exists, though it is highly broadened. This is interpreted as that short-range clusters of spins fluctuating rather slowly with time coexist with the spins forming the antiferromagnetic long-range order. We consider that these short-range clusters are responsible for the existence of the paramagnetic component contributing to the magnetization versus temperature curve.     

Atomic ordering in alloys with the superstructures DO22 and L1o (M=1)

In the multicluster approximation, the thermodynamic phase potentials are written, and problems of the phase equilibria of DO₂₂-Al and L1_o (M=1)-Al are solved. The correlation of atoms is taken into account at the vertices of the tetrahedron of bonds of the first coordination sphere and the isosceles triangles formed by two bonds in the first coordination sphere and one in the second. The effect of different interaction-parameter ratios on the form of the calculated phase diagrams and the temperature dependences of the long-range and short-range order parameters is discussed.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 79–84, March, 1979.     

Generalized stacking faults in model lattice of ordered Fe-Si alloys

The energies of the generalized stacking faults lying on {110} and {112} planes are calculated for Fe-Si alloys with the DO₃ long-range order for concentrations 10–25 at. % Si. In the used model, the interaction between atoms is described by the series of three central interatomic potentials fitted to experimental data. The lattice relaxations perpendicular to the stacking fault plane are considered. The displacement vectors corresponding to stable antiphase boundaries are found and some consequences for the structure of superdislocations in the DO₃ superlattice are mentioned.The author is indebted to Dr. F.Kroupa and Dr. L.Lejek for valuable discussion.     

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.     

Property-composition correlations and short-range order in bcc and fcc binary solid solutions

The properties of an ordering solid solution are substantially dependent on the long-range and short-range order parameters; a method is given for representing a binary solid solution as a set of cluster components whose short-range order parameters are incorporated out to the second coordination sphere. The scheme is illustrated via the lattice parameter and Debye temperature for Ti-Mo alloys (bcc lattice) and via the magnetic moment of Fe-Pd alloys (fcc lattice). The method allows one to describe nonmonotonic composition-property relationships and to define the values of properties for ordered structures.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 18–24, February 1978.     

Nonlinearity in cooperative systems-dynamical Bethe-Ising model

The dynamics of the short-range order as well as the long-range order in the nonlinear cooperative system is investigated specifically for a kinetic Ising model in the Bethe approximation. The phenomena of critical slowing down near the transition temperatureT _c and anomalous fluctuation belowT _c are directly related to the instability of the long-range order. The dynamics of the short-range order is essentially a fast mode and is noncritical. However, through the nonlinear coupling the short-range order is also influenced by the critical behavior of the long-range order.     

Long-Period Structures in Noble-Metal Alloys: New Aspects

Proceeding from precise calculation of the electronic structure and the generalized electronic susceptibility, a systematic study of the relationship between the nesting properties of the Fermi surface (FS) and the character of long-period ordered superstructures (LPSs) in noble-metal alloys, Cu–Au, Cu–Pd, and Ag–Mg, is performed. An answer is provided as to why in Cu–Au, Cu–Pd, and Cu–Pt alloys so-called incommensurate LPSs, characterized by an irrational period and smeared antiphase boundaries, are formed. The reasons for occurrence of such LPSs within a short temperature range only are clarified. The dependence of the long period M on the long-range order parameter in Cu–Au alloys is accounted for. The causes for formation of two-dimensional LPSs in Au₃Cu and Cu₃Pd alloys are found. It is shown that their stability may be explained for by energy gaps opening on coinciding patches of FS in two mutually perpendicular directions. Arguments are drawn in favor of the fact that among quasicrystalline substances, phases with incommensurate LPSs occupy an intermediate position between incommensurate systems and quasicrystals. An attempt is made to identify the reasons for qualitatively different behavior of LPSs with large and small superperiods. It is shown that the dependence of LPS's behavior on the value of 2M is controlled by the quality of nesting on FS and the nesting vector sensitivity (2k _F) to variations in the long-range order parameter .     

Enhanced ferromagnetism at the rhombohedral–tetragonal phase boundary in Pr and Mn co-substituted BiFeO3 powders

The effects of Pr substitution on the structure and magnetism of Bi(Fe_0.95Mn_0.05)O₃ powders are investigated systemically. X-ray diffraction and Raman spectra results confirm a phase transition from rhombohedral to tetragonal structure with increasing Pr concentration and the phase boundary occurs at 14% Pr substitution. At the phase boundary composition, enhanced room temperature ferromagnetism has been observed with a remanent magnetization about 0.260 emu/g. The increased magnetization can be understood considering both the modification of the short-range canted G-type antiferromagnetic order at phase boundaries and the suppression of long-range incommensurate spin cycloid of BiFeO₃ by Pr substitution.     

Special features of the order-disorder phase transformation and the role of associated antiphase boundaries

Experimental investigations of the states of long-range order in alloys with the L1₂, L1₂(M), L1₂(MM), and D1_a superlattices are discussed. The results obtained enable basic mechanisms involved in the thermal order-disorder transformation to be found and demonstrate an important role of antiphase boundaries in this transition.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 48–58, October 2004.     

Relationship between short- and long-range orders in nonstoichiometric titanium monoxide (TiO<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>)

The relationship between the short- and long-range orders in various phases of nonstoichiometric titanium monoxide (TiO _y ) has been analyzed for the first time. The types of the local environment of lattice sites in the metal and nonmetal (oxygen) sublattices of Ti₅O₅, Ti₃O₂, Ti₂O₃, and Ti₄O₅ superstructures are described. It is established that, in phases where ordering takes place simultaneously in both sublattices, all parameters of the superstructural short-range order determining the positions of atoms and vacancies in the first three coordination spheres can be uniquely expressed via the long-range order parameters. If the ordering takes place only in one sublattice, then five of the six short-range order parameters vanish. It is shown that, using data on the maximum absolute values of six short-range order parameters and on the fractions of occupied atomic positions in titanium and oxygen sublattices, it is possible to predict the type of ordered phase expected to form in the nonstoichiometric titanium monoxide TiO _y .     

Simulation of the short-range order in disordered cubic titanium monoxide TiO1.0

A model of the atomic structure with the short-range order in the vacancy distribution for the disordered cubic phase of titanium monoxide TiO_1.0 has been proposed. The effect of the short-range order on the electronic structure and the stability of the compound has been studied by the supercell method within the DFT-GGA approximation with the use of pseudopotentials. It has been established that the appearance of the short-range order considerably decreases the total energy. The decrease in the energy is comparable with the energy gain during the ordering of the vacancies according to the type of monoclinic superstructure Ti₅O₅ to the long-range order parameter η = 0.7. It has been shown that the discrepancies between the theoretical and experimental electronic spectra of titanium monoxide can be explained by allowance for the short range order.     

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.     

Theory of order-disorder and order-order transformation in binary alloys with B.C.C. lattice—III.: Atomic ordering in Fe-Al system

On the basis of the general theory developed with the account of a four-particle correlation of atoms in the tetrahedron cluster sites the atomic ordering is considered in the Fe-Al system with 0–50 at % Al. The calculated equilibrium diagram of the phases Fe₃Al(DO₃), FeAl(B2) and short-range order phases α(A2) are in agreement with the diagram proposed by Rudman. The temperature dependences of short- and long-range order parameters in the case of Fe₃Al and Fe₁₃Al₃ compositions are discussed.     

Berezinskii–Kosterlitz–Thouless Order in Two-Dimensional O(2)-Ferrofluid

We study a two-dimensional ferrofluid of hard-core particles with internal degrees of freedom (plane rotators) and O(2)-invariant ferromagnetic spin interaction. By reducing the continuous system to an approximating reference lattice system, a lower bound for the two-spin correlation function is obtained. This bound, together with the Fröhlich–Spencer result about the Berezinskii–Kosterlitz–Thouless transition in the two-dimension lattice system of plane rotators, shows that our model also exhibits the same kind of ordering. Namely for a short-range ferromagnetic interaction the two-spin correlation function does not decay faster than some power of the inverse distance between particles, for small temperatures and high densities of the ferrofluid. For a long-range ferromagnetic interaction the model manifests a non-zero order parameter (magnetization) in this domain, whereas for high temperatures spin correlations decay exponentially.