Relativistic density-functional study of the solid solubility of transition metal/γ-uranium alloys: The role of d-d orbital interactions

The alloying behavior of transition metals (TMs) in solid γ-phase uranium (γ-U), which is expected to be used as fuel for next-generation nuclear reactors, was investigated using the discrete-variational Dirac-Fock-Slater molecular orbital method. Using a model cluster, U₈/TM, as the minimum unit of γ-U/TM alloys, we evaluated the d-orbital energy of the TM (Md), the bond order between the TM and U atoms, and the orbital overlap population (OOP) between the atomic orbitals of the TM and U atoms. We subsequently examined the effect of these quantities on the maximum solid solubility (MSS) of the γ-U/TM alloys. The interaction between the U-6d and TM-d atomic orbitals was found to play a key role in determining the MSS of the γ-U/TM alloys. The magnitude of the MSS can be explained in terms of the stabilization energy, which is affected by the Md and the OOP, formed by d-d orbital interactions. We also mapped the MSS of γ-U/TM alloys using the Md and the OOP as the alloying parameters. These results will assist the quantum design of nuclear fuel materials.     

Atomic site location by channelling enhanced microanalysis (ALCHEMI) in γ′-strengthened Ni- and Pt-base alloys

The additions of alloying elements to Ni- and Pt-base alloys influence the microstructure and thereby the creep properties, whereas the mechanism is uncertain. Therefore atomic site location by channelling enhanced microanalysis (ALCHEMI) was used to determine the site partitioning of ternary and quaternary alloying elements in the L1₂-ordered γ′-phase. Two ternary Ni–Al alloys with Cr and Ti additions were investigated. The measured site partitioning showed that Cr and Ti atoms prefer the Al-sublattice sites. For a ternary Pt–Al–Cr alloy, it was found that Cr atoms occupy Al sites. The influence of Ni as a fourth alloying element in a Pt–Al–Cr–Ni alloy on the site partitioning was also investigated. The detected results give evidence that in the quaternary alloy Cr and Ni atoms prefer the Pt sublattice. First principles calculations were used to support the experimental data.     

Development and tribological characterisation of nanostructured Zn-Ni and Zn-Co coatings: a comparative study

Zn-Ni and Zn-Co alloy coatings were electrodeposited on mild steel from sulphate-based baths. The morphology, microstructure, microhardness and tribological behaviours of the coatings have been studied and discussed. While the Zn-5wt-% Co layers presented a nanocrystalline simple nodular structure (45?±?5?nm), the Zn-14wt-% Ni showed a particular structure called cauliflower morphology (30?±?7?nm). The X-ray diffraction analysis showed that each of the electrodeposits was formed from zinc solid solution with a uniform zinc-cobalt intermetallic phase γ₂ (CoZn₁₃) for Zn-5wt-% Co alloy. However, a single γ-phase (intermetallic compound Ni₅Zn₂₁) was presented for the Zn-14wt-% Ni alloys. The Zn-14wt-% Ni films were found to be harder and rougher than the Zn-5wt-% Co layers. Plastic deformation and oxide layers production were the main wear mechanisms for the investigated coatings. The Zn-14wt-% Ni coatings were found to have the best wear resistance due to their microhardness and particular structure.     

镁基储氢合金的最新研究进展

镁基合金是一类重要的储氢材料。本文综述了Mg2Ni系合金、稀土-镁-镍、镁-稀土等3类含镁储氢合金的最新研究进展,探讨了合金化机理,即合金化元素、原子半径、相结构对含镁基储氢合金性能的影响规律。     

Hydrogen storage properties of V＋TiFe0.85Mn0.15 multi—phase alloys made by mechanical alloying

The mechanical alloying technique was used to make multi-phase alloys V TiFe0.85Mn0.15.Their hydrogen storage properties were characterized and compared with that of the polycrystalline alloys made by casting.It was found that the ball milled alloys can absorb hydrogen at room temperature in the first cycle without prior activation.The 40% V 60% TiFe0.85Mn0.15 alloy made by mechanical alloying shows the best hydrogen storage property with the valid hydrogen capacity up 50 220mL/g at 293K and 4.0MPa, and the P-C-T behavior is also improved.The XRD and EDX analyses also show that the phase of these alloys contains.V,TiFe,γ-TiMnx,TiFe2 and α-FeV.The composition of these phases affects significantly the hydrogen storage properties of alloys.     

Mechanical and corrosion properties of newly developed Mg–Mn–Ca alloys as potential biodegradable implant materials

Calcium and manganese were selected as alloying elements to develop Mg–2Mn–xCa (x?=?0·8, 1·0, 1·2 wt-%) alloys as potential biodegradable implant materials. The mechanical properties and corrosion mechanism of both as cast and solution naturally age (T4) treated Mg–2Mn–xCa alloys were investigated. The results indicated that the distribution of the second phase dominated the corrosion process. T4 treatment could transfer coarse Mg₂Ca and α-Mn phases into dispersed fine precipitated phases, which improve mechanical and corrosion properties. Mg–2Mn–1·0Ca alloy has the best integrated performance among the developed alloys. This research indicated that T4 treated Mg–2Mn–xCa alloys are a promising candidate used as biodegradable implant material.     

TOUGHENING OF CAST Ni_3 Al-BASE ALLOYS

Investigation was made of the ductility and microstructure of a series of cast Ni_3Al-base al-loys,with 19—23 at.-% Al and other alloying elements.An obvious improvement onmorphology,distribution,amount and size of primary Ni_3Al(γ')intermetallic compound wasapproached by such alloying elements such as Hf,Ti and Zr,but no more by Nb,W and Ta.The formation of ductile γ'-γ-γ' boundaries in the alloys with refined primary γ'-phase caneliminate the weakened nature of brittle γ'-γ' boundaries,and reduce the size of primaryγ'-phase to tens of μm.Thus,the ductility of the alloys,especially at intermediate tempera-tures may be markedly improved.In addition,an alloy free from Cr is still significantlyductile,and only its structure is refined.The availability of Cr to improve the intermediatetemperature ductility seems to be due to the change of amount and distribution of γ-phase.     

Effect of Cr on Microstructure and Properties of a Series of AlTiCr x FeCoNiCu High-Entropy Alloys

A series of AlTiCr _x FeCoNiCu (x: molar ratio, x = 0.5, 1.0, 1.5, 2.0, 2.5) high-entropy alloys (HEAs) were prepared by vacuum arc furnace. These alloys consist of α-phase, β-phase, and γ-phase. These phases are solid solutions. The structure of α-phase and γ-phase is face-centered cubic structure and that of β-phase is body-centered cubic (BCC) structure. There are four typical cast organizations in these alloys such as petal organization (α-phase), chrysanthemum organization (α-phase + β-phase), dendrite (β-phase), and inter-dendrite (γ-phase). The solidification mode of these alloys is affected by Chromium. If γ-phase is not considered, AlTiCr_0.5FeCoNiCu and AlTiCrFeCoNiCu belong to hypoeutectic alloys; AlTiCr_1.5FeCoNiCu, AlTiCr_2.0FeCoNiCu, and AlTiCr_2.5FeCoNiCu belong to hypereutectic alloys. The cast organizations of these alloys consist of pro-eutectic phase and eutectic structure (α + β). Compact eutectic structure and a certain amount of fine β-phase with uniform distribution are useful to improve the microhardness of the HEAs. More γ-phase and the microstructure with similar volume ratio values of α-phase and β-phase improve the compressive strength and toughness of these alloys. The compressive fracture of the series of AlTiCr _x FeCoNiCu HEAs shows brittle characteristics, suggesting that these HEAs are brittle materials.     

Texture evolution of the γ- and the α/α2-phase during hot rolling of γ-TiAl based alloys

Multiple hot rolling experiments were performed in the upper area of the α+γ phase field of the γ-TiAl based alloy Ti46Al9Nb (in atomic percent). The texture evolution for both the γ- and the α/α₂-phase has been investigated by X-ray diffraction. In the γ-phase textures comparable to those known from fcc-metals evolve. The texture components and fibers were separated and described with respect to the lower symmetry of the L1₀-structure. Computer simulations of the deformation texture evolution allow to attribute specific texture components to the predominant activity of ordinary dislocations, super dislocations and twinning, respectively. The accompanying recrystallization appears to be orientation dependent. In the α/α₂-phase transversal and basal type textures similar to those found after hot rolling of two-phase titanium based alloys have been identified. Based on the literature about titanium-based alloys specific orientations were correlated with characteristic slip activity. The underlying mechanisms of texture evolution and orientation dependent recrystallization are discussed for both phases.     

Microstructural Characterization of Co-Based ODS Alloys

Co-based ODS alloys, strengthened by nanosized oxide dispersion and γ′ precipitates, are potential high-temperature structural materials. The characteristics of the mechanically alloyed powder and the microstructural evolution of the Co-based ODS alloys were investigated. The results revealed that mechanical alloying had induced the formation of supersaturated solid solution in immiscible Co-Al-W-based alloys, originating mainly from extensive grain boundary region, high dislocation density, and ample point defect. Chemical compositions of mechanically alloyed Co-Al-W-based ODS alloys easily deviate from the γ/γ′ two-phase region, leading to the existence of Al _x Co, Co₃W, Co₇W₆, and W phases in addition to the γ and γ′ phases. Nonuniform distribution of alloying elements brings about the differences in morphologies and sizes of γ′ precipitates. Microstructural formation process is impelled by spinodal decomposition mode, and spinodal decomposition behavior has been accelerated in the fine-grained alloy because of the presence of short-circuited diffusion paths for atomic movement.     

High-temperature oxidation behavior of multi-phase Mo-containing γ-TiAl-based alloys

Intermetallic titanium aluminides are potential materials for a number of high-temperature components used in aero and automotive engines. In particular, alloys solidifying via the β-phase are of great interest because they possess a significant volume fraction of the disordered body-centered cubic β_o-phase at elevated temperatures ensuring good processing characteristics during hot-working. Nevertheless, the practical use of such alloys at a temperature as high as 800 °C requires improvement of their oxidation resistance. Various attempts have been made including alloying with additional elements such as Nb, Cr, Mo etc. or applying the so-called fluorine effect. However alloying could not provide a sufficient oxidation resistance above 850 °C whereas the fluorine effect protects the base material against environmental degradation up to over 1000 °C. This paper aims to investigate the influence of the phase composition on the oxide scale morphology without and with fluorine effect. The results refer to the oxidation behavior of three β-solidifying γ-TiAl-based alloys in the cast and hot-isostatically pressed condition at 800 °C in air. The behavior of the TNM alloy (Ti–43.5Al–4Nb–1Mo–0.1B, in at.%) was compared with that of two Nb-free TiAl alloys which contain different amounts of Mo (3 and 7 at.%, respectively) and hence a different microstructure (α₂/β_o/γ vs. β_o/γ). During testing in dry synthetic air at 800 °C a mixed oxide scale develops on all three alloys. This behavior was changed via the fluorine effect, as demonstrated for previously investigated TiAl alloys with an Al-content higher than 40 at.% based on α₂/γ and α₂/β_o/γ phases. The oxidation resistance of the fluorine treated samples was significantly improved compared to the untreated samples. The reason for this is the change in the oxidation mechanism triggered by the small additions of fluorine in the subsurface zone of the investigated alloys. The results of isothermal oxidation tests at 800 °C in air are presented and discussed in view of chemical composition and microstructure, along with the impact of the phase composition on the efficiency of the fluorine effect. From a microstructural perspective the fluorine effect leads to the formation of an even thinner oxide scale on the β-phase compared to the γ-phase.     

Metastable phases of electron type in titanium alloys with 3d-metals

Conditions of formation and structural characteristics of metastable states forming due to changes in the concentration of alloying elements in titanium alloys with 3d-metals are considered. The states arising due to hardening from the range of solid solution and the states arising due to hardening from melt are studied. Growth in the concentration of alloying elements in all alloys of the type is accompanied by formation of a metastable ω-phase and an incommensurate ω-phase; in alloys of the Ti-Fe and Ti-Mn systems the formed phases also include icosahedral quasi-crystals and their approximants. Effects of various factors on the formation of metastable phases are discussed. An incommensurate ω-phase is considered as an example of specific nanocrystalline structure stabilized by electron interactions.     

MICROSTRUCTURE OF RAPIDLY SOLIDIFIED TiAl ALLOY POWDER

The rapidly solidified powder of Ti-34Al-2Mn alloy was obtained by means of ultrasonicgas atomisation (USGA) technique.The tupical size of the powder is 27 μm.X-ray diffractionresults show that the powder consists of major α_2-phase and minor γ-phase.Under opticalmicroscope both equiaxed and dendritical microstructure features were observed on RS pow-der sections.After annealing at 900 ℃/for 2 h in vacuum,most of α_2-phase transforms intoγ-phase,resulting in refinement of structure.     

Partition behavior of alloying elements and phase transformation temperatures in Co–Al–W-base quaternary systems

The phase equilibria among γ (A1), γ′ (L1₂), χ (D0₁₉), β (B2) and μ (D8₅) phases and the γ′ solvus and γ solidus temperatures were investigated in the Co–Al–W-based quaternary systems with alloying elements of Ti, V, Nb, Ta, Cr, Mo, Mn, Fe, Ni, Si, Zr, Hf, Ru and Ir by electron probe microanalysis (EPMA) using multiphase alloys and by differential scanning calorimetry (DSC). It was found that Ta, Nb, Ti, V, Mo and W are partitioned to the γ′ or χ phase rather than to the γ phase, while Cr, Mn and Fe tend to be distributed to the γ phase. The correlation between the partition coefficient of alloying elements between γ/γ′, γ/χ and γ/β phases and ab initio formation energy of Co₃X (L1₂), Co₃X (D0₁₉) and CoX (B2) was respectively obtained. It was also found that the γ′ solvus temperature increases by the addition of the γ′ former elements such as Ta, Nb and Ti, which decreases the γ solidus temperature.     

New approaches to designing alloys based on γ-TiAl + α2-Ti3Al phases

Based on the investigations of the microstructure of ingots depending on the content of aluminum and alloying additives and cooling rate, a new concept of alloying of γ-TiAl + α₂-Ti₃Al alloys has been developed, which is directed on the production of a chemically uniform cast material with a fine-grained structure. The results obtained open new opportunities in the designing of γ+α₂ alloys with an improved processing plasticity.     

Effect of molybdenum additions on the microstructures and corrosion behaviours of 316L stainless steel-based alloys

Alloys were made by alloying 5, 10, 15, 17.5 and 20?wt-% Mo with Type 316L stainless steel. Sigma phases containing 21–29?wt-% Mo formed along the austenite grain boundaries with the addition of 5?wt-% Mo and increased with additions up to 15?wt-% Mo, but they decreased with further additions. Laves phases containing 33–40?wt-% Mo co-precipitated at additions of 10?wt-% Mo which increased with further Mo increases. The corrosion resistance, assessed by potentiodynamic polarisation in a 10?mM NaCl solution adjusted to pH 4, increased relative to Type 316L for alloys made with 5 and 10?wt-% added Mo, but decreased with further additions due to preferential corrosion of the Laves phase. The alloy made with 10?wt-% added Mo had the highest corrosion resistance due primarily to the high Mo content of the austenite.     

Atomic ordering in Ni3Mn-Ni3V microcrystalline alloys

Neutron diffraction analysis has been used to determine concentrational dependences of the parameters of long-and short-range atomic order and the sizes of antiphase domains in Ni₃Mn-Ni₃Al microcrystalline alloys produced by quenching from the melt and in the quenched bulk alloys of the system. The parameters of atomic order were shown to depend on the temperature of the order-disorder transition. The γ′-phase micro-crystals were found to be characterized by high degrees of long-range order. The effect found is explained by the high degree of solid-solution supersaturation with excess vacancies formed upon quenching from the melt and, therefore, by abruptly increasing diffusion mobility of atoms.     

AP-FIM STUDY ON THE MICROSTRUCTURES OF TiAl INTERMETALLIC COMPOUNDS FXBRICATED BY INGOT METALLURGY AND CENTRIFUGAL SPRAY DEPOSITION

1. IntroductionTitanium aluminide alloys based on the ac-TiAl phase are attractive materials for hightemperature structural application. The strength and ductility of two-phase TiAl alloys aremainly decided on microstructural size and morphologiesll32]. The mechanical propertiesof ac--TiAl alloys can be widely changed by microstructural control with millor alloyingand processing. It will be seen that an advanced processing, centrifugal spray deposition(CSD), can offer alloys with a refined…     

WC-Co硬质合金γ相的X射线结构分析

由X射线相分析基本公式导出了适宜于计算同素异构体混合物的X射线衍射方程，通过分析WC－Co硬质合金γ相（Co－W－C固溶体）模拟合金的X射线实验数据推算出六方型α-γ相和立方型β-γ相的相对Kβα值，该值与γ相成分有关，得到了一种简易、实用和精确测量WC－Co合金中γ相结构的定量分析方法。     

Embrittlement of cast Mn–Ni–Al bronzes

Abstract

A review of the literature of Mn–Ni–Al bronze alloys reveals a sensitivity of these alloys to slow cooling conditions, which has a markedly detrimental effect on impact resistance and failure of large cast components. Investigations of the cause of failures as described in this review have not resulted in solutions. This paper presents a metallurgical study of the phenomenon of the embrittlement of the Mn–Ni–Al bronzes. The study is based on investigations on material of an experimental casting containing 18–21 wt-% manganese and on material of failed ship propeller castings with 11–15 wt-% manganese. The investigations revealed the appearance of a hard and brittle phase in the structure of the material depending on cooling conditions and manganese content. This phase can be identified with the Mn(β) type phase in the Fe–Mn– Al alloys. The Mn(β) type phase has a hard and brittle nature and is assumed to be the cause of embrittlement of the Mn–Ni–Al bronzes.