A Mössbauer-effect study of the isomer shifts of iron in nickel aluminides

The room-temperature isomer shifts of iron in nickel aluminides have been measured. A single Mössbauer-resonance line is observed for alloys of composition (NiAl)_100-cFe_c, 0 ? c ? 5 at. %, and Al₅₀Ni^50-cFec, 2 ? c ? 50 at. %. The isomer shift for dilute Fe concentration in stoichiometric NiAl is compared with that for FeAl at stoichiometric composition.     

Segregation of Solutes in Two-Phase Mixtures

Fractions of indium solutes in each phase of a mixture of two binary phases were measured using perturbed angular correlation of gamma rays. Measurements of phase fractions were made on Pd₃Ga₇–PdGa, PdGa–Pd₅Ga₃, and FeAl₂–FeAl mixtures as a function of composition. The phase fractions were analyzed using a thermodynamic model that takes into account differences between energies of solute atoms in the two phases. From the model, segregation coefficients were obtained for the systems studied. Also, earlier measurements on Ni₂Al₃–NiAl were reanalyzed. Large differences are found among the segregation coefficients. This revised version was published online in September 2006 with corrections to the Cover Date.     

微观相场法模拟Ni75Al5.3V19.7 中L12和D022结构反位缺陷的演化

运用微观相场法研究Ni₇₅Al_5.3V_19.7合金沉淀过程中L1₂结构和D0₂₂结构反位缺陷发现：在沉淀初期,L1₂结构反位缺陷Al_Ni,V_Ni,Ni_Al,D0₂₂结构反位缺陷V_Ni,Al_Ni关键词： 微观相场 反位缺陷 L1₂结构')" href="#">L1₂结构 D0₂₂结构')" href="#">D0₂₂结构     

High-temperature site preference and atomic short-range ordering characteristics of ternary alloying elements in γ’-Ni3Al intermetallics

Abstract

Remarkable high-temperature mechanical properties of nickel-based superalloys are correlated with the arrangement of ternary alloying elements in L1₂-type-ordered γ′-Ni₃Al intermetallics. In the current study, therefore, high-temperature site occupancy preference and energetic-structural characteristics of atomic short-range ordering (SRO) of ternary alloying X elements (X = Mo, W, Ta, Hf, Re, Ru, Pt or Co) in Ni₇₅Al_21.875X_3.125 alloy systems have been studied by combining the statistico-thermodynamical theory of ordering and electronic theory of alloys in the pseudopotential approximation. Temperature dependence of site occupancy tendencies of alloying X element atoms has been predicted by calculating partial ordering energies and SRO parameters of Ni-Al, Ni-X and Al-X atomic pairs. It is shown that, all ternary alloying element atoms (except Pt) tend to occupy Al, whereas Pt atoms prefer to substitute for Ni sub-lattice sites of Ni₃Al intermetallics. However, in contrast to other X elements, sub-lattice site occupancy characteristics of Re atoms appear to be both temperature- and composition-dependent. Theoretical calculations reveal that site occupancy preference of Re atoms switches from Al to both Ni and Al sites at critical temperatures, T_c, for Re > 2.35 at%. Distribution of Re atoms at both Ni and Al sub-lattice sites above T_c may lead to localised supersaturation of the parent Ni₃Al phase and makes possible the formation of topologically close-packed (TCP) phases. The results of the current theoretical and simulation study are consistent with other theoretical and experimental investigations published in the literature.     

X-ray photoelectron spectroscopic studies on oxidation behavior of nickel and iron aluminides under oxygen atmosphere at low pressures

Oxidation behaviors of NiAl, Ni₃Al, and FeAl under oxygen atmosphere at low pressures were studied by X-ray photoelectron spectroscopy (XPS). Clean surfaces of these aluminides were prepared by fracturing in an ultra high vacuum, and then the fractured surfaces were oxidized by exposing to high-purity oxygen at pressures up to 1.3 Pa without exposing to air. The oxides formed on NiAl and FeAl surfaces were Al₂O₃, whereas the oxide on Ni₃Al was NiAl₂O₄. Aluminum, nickel, and iron on clean surfaces were oxidized even at a pressure of 1.3 × 10⁻⁶ Pa. The oxidation evolves with an increase in the pressure of oxygen, and further oxidation of aluminum occurs prior to that of nickel or iron. The oxidation behaviors under such oxygen atmosphere were similar to those of the aluminides oxidized in air, and these behaviors could be predicted from thermodynamic consideration.     

The Electric Field Gradients in (Zr/Hf)Al3 and (Zr/Hf)2Al3 Intermetallic Compounds Studied by 181Ta- and 111Cd-PAC Spectroscopy

The electric quadrupole hyperfine interactions for ¹⁸¹Hf/¹⁸¹Ta and for ¹¹¹In/¹¹¹Cd probes in polycrystalline ZrAl₃ and Zr₂Al₃ compounds were measured in the temperature range 30–1100 K and compared with the results for isostructural hafnium aluminides. On the basis of the similarities of the numbers, sizes and asymmetries of electric field gradients, lattice site allocations were made. In all matrices, ¹⁸¹Hf/¹⁸¹Ta was found to substitute the Hf/Zr site. The ¹¹¹In/¹¹¹Cd impurities were also assigned to the Hf/Zr site in the compounds (Zr/Hf)Al₃, but appear to substitute the two non-equivalent Al sites in the Zr₂Al₃ and Hf₂Al₃ phases. This revised version was published online in September 2006 with corrections to the Cover Date.     

Ab initio calculations of the ferromagnetic shape memory alloy Ni–Mn–Al

Results of the first-principles calculations of the magnetic shape-memory alloy NiMnAl are presented. The properties of a series of alloys in the composition range Ni₅₀Mn _x Al_{50? x} with 0 ≤ x ≤ 50 were deduced from the ab initio simulations. One essential result is that the alloy is ferromagnetic in the range from 14 to 31?at.% Mn. Furthermore, the martensitic phases 2?M, 10?M, and 14?M with long-periodic structure were calculated. They are metastable in the stoichiometric Ni₂MnAl alloy due to additional bonding between specific atomic sites. Their properties are discussed in terms of the density of states and their charge distribution.     

Magnetism in FeAl,CoAl, CoGa and NiAl

Isothermal magnetization vs field data from 1.6 to 300°K for Ni_0.48Al_0.52, Ni_0.50Al_0.50, Co_0.48Al_0.52 and Co_0.50Al_0.50 can be described in terms of contributions from magnetic clusters, from “antistructure” transition metal atoms on Al sites, and from a field- and temperature-independent susceptibility. The moment of antistructure Ni is 0.3μ_B in both nickel alloys. In both cobalt aluminides as well as in Co_0.47Ga_0.53, the antistructure Co moment is 1μ_B. The moment of antistructure Fe in Fe_0.49Al_0.51 is 2.2μ_B.     

Site occupancy of Fe in ternary Ni<Subscript>75−</Subscript><Emphasis Type="Italic">x</Emphasis>Fe<Subscript>x+y</Subscript>Al<Subscript>25−</Subscript><Emphasis Type="Italic">y</Emphasis>alloys

The results of a detailed structural and magnetic study clearly indicate that regardless of the thermal history of the samples, Fe has a strong preference for the Ni sites in Ni-poor (nonstoichiometric) Ni₇₅Al₂₅ alloys. Fe substitution has a profound effect on the nature of magnetism in Ni₂₅Al₂₅ Article presented at the International Symposium on Advances in Superconductivity and Magnetism: Materials, Mechanisms and Devices, ASMM2D-2001, 25–28 September 2001, Mangalore, India.     

Site Preference Model for Hyperfine Impurities in Compounds

A thermodynamic model for site preferences of solute atoms in ordered binary phases is applied in this paper for substitutional and interstitial sites of the Cu₃Au, or L1₂, structure. Site preferences are found to depend on formation energies of combinations of elementary point defects and on energies for transfer of solutes among different sites. The composition dependence in compounds having a wide phase field is examined in detail. A phenomenology of site preference behavior is outlined for regular lattice sites as well as for non-lattice sites such as grain boundaries. This revised version was published online in September 2006 with corrections to the Cover Date.     

Effect of site disorder on the magnetic properties of weak itinerant ferromagnet Ni<Subscript>75</Subscript>Al<Subscript>25</Subscript>

Detailed study of Ni₇₅Al₂₅ samples with varying degree of site disorder reveals that site disorder promotes magnetic excitations such as spin waves and local spin-density fluctuations and thereby reduces both spin-wave stiffness and Curie temperature. Irreversibility lines in theT-H phase diagram of the weak itinerant ferromagnet Ni₇₅Al₂₅ have been determined for the first time and the effect of site disorder on them has been ascertained Article presented at the International Symposium on Advances in Superconductivity and Magnetism: Materials, Mechanisms and Devices, ASMM2D-2001, 25–28 September 2001, Mangalore, India.     

Site preference and thermodynamic properties of R3Ni13-xCoxB2（R=Y,Nd and Sm）

This paper investigates the structural stability of intermetallics R3Ni13-xCoxB2(R=Y,Nd and Sm) with Nd 3 Ni 13 B 2-type structure and the site preferences of the transition element Co by using a series of interatomic pair potentials.The space group remains unchanged upon substitution of Co for Ni in R3Ni13-xCoxB2 and the calculated lattice constants are found to agree with reports in literatures.The calculated cohesive energy curves show that Co atoms substitute for Ni with a strong preference for the 3g sites and the order of site preference is 3g,4h and 6i.Moreover,the total and partial phonon densities of states are first evaluated for the R 3 Ni 13 B 2 compounds with the hexagonal Nd 3 Ni 13 B 2-type structure.     

Site spectroscopy of Hf doping in Hf-doped LiNbO3 crystals

By means of Raman scattering spectroscopy we determine the site location occupied by Hf ions in photorefractive damage resistant Hf-doped LiNbO₃. At room temperature the two lowest frequency phonons are related to sites B (Nb) and A (Li), and are used to directly probe the dopant ion. For the low concentration range, the Hf ions go into the sites A whereas, for high concentration, Hf ions occupy both sites A and B. Results are compared with data obtained for pure congruent and stoichiometric crystals, and the proposed mechanism of incorporation of Hf ions in the LiNbO₃ lattice explains the threshold in the behaviour of photorefractive properties.     

Formation of titanium and niobium aluminides induced by hydrogen in a hydride cycle

The results of our study of formation of aluminides by the hydride cycle (HC) method in Ti–Al and Ti–Al–Nb systems and of their hydrides under the conditions of self-propagating high-temperature synthesis are presented. The HC method was developed at the High-Temperature Synthesis Laboratory of the Nalbandyan Institute of Chemical Physics, Armenian Academy of Sciences. The effect of various parameters: the ratio of titanium and niobium hydrides and aluminum powders in the reaction mixture, hydride powder grain size (micro and nano size), compacting pressure during compaction of hydrides, and conditions of dehydrogenation and sintering (heating temperature and rate) on the characteristics of the obtained aluminides: crystal structure, density, etc. was studied. As a result, single-phase aluminides α₂-Ti₃Al, Ti₂Al, γ-TiAl, TiAl₃, Ti_0.33Al_0.34Nb_0.33, Ti_0.5Al_0.23Nb_0.27, Ti_0.52Al_0.15Nb_0.33, TiAl₆Nb, etc., and hydrides were synthesized. The HC method has significant advantages over conventional procedures: low temperature (1000–1100°C) and processing time (30–60 min), one-stage formation of single-phase aluminides, etc.     

MnAlC永磁合金的中子衍射研究

用中子衍射技术研究了Mn_1.074Al_0.871C_0.055永磁合金的晶体结构和磁结构,Mn_1.074Al_0.871C_0.055为四角体心结构,从中子衍射谱线的拟合结果可以看出:0.992Mn和0.008C占据(0,0,0)晶位;0.082Mn、0.87lAl和0.047C占据(1/2,1/2,1/2)晶位,在不同晶位上的Mn原子的磁矩沿c轴方向反平行排列,把这些结果与Mn_1.09Al_0.91二元合金的中子衍射结果相比较,可以解释Mn_1.074Al_0.871C_0.055三元合金的磁性和机械性能都可获得明显提高的原因。 关键词：     

A phase-field study of the aluminizing of nickel

A quantitative phase-field approach for multiphase systems that is based upon CALPHAD free energies is used to model the aluminization of nickel wires, wherein vapour-phase alloying is used to deposit Al on the surface of the Ni wire and then the wire is annealed so that to remove all Al gradients and achieve a homogenous Ni-Al alloy. Both processes are modelled and numerical results are compared with experiments. It is found that the kinetics of both processes is controlled by bulk diffusion. During aluminization at 1273 K, formation and growth of intermetallics, Ni₂Al₃ NiAl and Ni₃Al, are strongly dependent on the Al content in the vapour phase. Ni₂Al₃ growth is very fast compared with NiAl and Ni₃Al. It is also found that an intermediate Al content in the vapour phase is preferable for aluminization, since the Ni₂Al₃ coating thickness is difficult to control. Ni₂Al₃ is found to disappear in a few minutes during homogenization at 1373 K. Thereafter, the NiAl phase, in which the composition is highly non-uniform after aluminization, continues growing until the supersaturation in this phase vanishes. Then, NiAl coating disappears concomitantly with the growth of Ni₃Al, which disappears thereafter. Finally, the Al concentration profile in Ni(Al) homogenizes.     

Substitutional sites of Co ions in CuGa1−xAlxSe2:Co crystals

The substitutional sites of Co²⁺ ions in Co²⁺-doped CuG_1−xAl_xSe₂ (including CuGaSe₂ where x=0 and CuAlSe₂ where x=1) semiconductors are studied by analyzing the composition x dependence of optical spectral parameters reported in the previous literature for these materials. From the studies, we suggest that Co²⁺ occupy I-group cation site rather than III-group cation site. The suggestion is discussed.     

Mössbauer effect study of Ni1−xCuxMnyFe2−yO4 system

The Mössbauer effect technique has been employed for the study of magnetic properties of spinel series Ni_1?xCu_xMn_yFe_2?yO₄ with 0.0≤x≤1.0, and y=0.6. The substitution of Mn³⁺ and Cu²⁺ ions results in a slight decrease of the hyperfine field at B‐ as well as A‐sites. The area ratio of Fe³⁺ ions at the A‐ and B‐site at 77 K indicates that Cu²⁺, Ni²⁺ and Mn³⁺ ions occupy the octahedral sites in an evidence for complete inverse spinel in this system. The temperature dependence of the hyperfine parameters has been studied for composition with x=0.5 where Nèel point T_N and Debye temperature θ_D are found to be 650 and 679 K, respectively. The temperature dependence of the sublattice magnetization σ(T) obeys a one‐third‐power law in the range 0.5N<0.99.     

Mössbauer study of substituted barium ferrite BaFe11−x−y Co0.5Ti0.5Ni x ZnyO19−r

Substituted barium ferrite BaFe_11–x–y Co_0.5Ti_0.5Ni _x Zn_yO_19–r powders were prepared using a coprecipitation method and investigated by X-ray diffraction (XRD) and⁵⁷Fe Mössbauer spectroscopy. The results show that the as-prepared magnetic powders possess the typical hexagonal structure and demonstrate both a good dispersibility and a narrow particle size distribution. The hyperfine fields for all sites decrease slightly asx (ory) increases. The Ni²⁺ ions prefer to occupy the 2a and 12k sites, and Zn²⁺ ions occupy the 4f_IV site.     

Photoemission study of the (1 0 0) surface of Ni2MnGa and Mn2NiGa ferromagnetic shape memory alloys

The (1 0 0) surface of Ni₂MnGa and Mn₂NiGa ferromagnetic shape memory alloys have been studied by photoelectron spectroscopy and low energy electron diffraction (LEED). It is shown that by sputtering and annealing, it is possible to obtain a clean, ordered and stoichiometric surface that shows a four-fold 1 × 1 LEED pattern at room temperature. For both Ni₂MnGa and Mn₂NiGa, the surface becomes Ni-rich and Mn deficient after sputtering. However, as the annealing temperature is increased Mn segregates to the surface and at sufficiently high annealing temperature the Mn deficiency caused by sputtering is compensated. The (1 0 0) surface of Ni₂MnGa is found to have Mn-Ga termination. The valence band spectra of both Ni₂MnGa and Mn₂NiGa exhibits modifications with surface composition. For the stoichiometric surface, the origin of the spectral shape of the valence band is explained by calculations based on first principles density functional theory.