Vacancies in selected special tilt grain boundaries in Ni3Al

The structure of selected special (Σ=5) symmetrical tilt grain boundaries in Ni₃Al with tilt axis [1 0 0] was simulated by the Monte Carlo method. Vacancies were generated both in Al and Ni sites in their relaxed structure and the vacancy formation and migration energy was estimated.     

Computer modeling of grain boundaries in Ni3Al

Computer modeling of symmetric tilt boundaries Σ = 5 [1 0 0] (0 1 2) and Σ = 5 [1 0 0] (0 1 3) in alloy Ni₃Al was carried out. The energy of grain boundaries (GBs) was calculated out by a method of construction of γ-surface by using Morse's empirical centralforce potentials. Researched GBs have four steady states: one is stable and three — metastable. These states of GBs differ by energy and atomic structure. It is shown that GBs in model of coincidence site lattice are unstable, the stabilization is achieved by additional displacement on some vector along plane of defect.     

Computer modeling of grain boundaries in Ni3Al

Computer simulation of symmetric tilt grain boundaries (GB) Σ=5 [1 0 0] (0 1 2) and Σ=5 [1 0 0] (0 1 3) in alloy Ni₃Al was carried out. The energy of GB was calculated out by a method of construction of γ-surface with using Morse's empirical central-force potentials. Investigations shown that GB have several steady states: one is stable and other – metastable. These states differ by energy and atomic structure GB. It is shown, that GB in model CSL are unstable, the stabilization is achieved by additional displacement on some vector along plane of defect. Directions and value of potential barriers of GB slippage are calculated.     

Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni3Al

Recent work had suggested that vibrational effects can play a significant role in determining alloy phase equilibria. In order to better understand these effects, we investigate the vibrational properties of disordered and ordered Ni₃Al using the embedded atom method and calculate vibrational thermodynamic quantities within the quasi-harmonic approximation. The vibrational entropy is found to be strongly dependent on volume. For fully relaxed structures the dependence on lattice decoration of the vibrational entropy is compared to that suggested by recent experimental results.     

Cr7C3 / Ni3Al 复合材料制备过程中碳化铬的溶解再析出行为

将真空常压烧结方法制得的Cr₃C₂-Ni₂Al 复合焊丝堆焊于碳钢表面。分析表明, 在堆焊过程中, 利用氩弧物理热和Ni-Al 反应热, Ni 与Al 化合反应生成Ni₃Al 金属间化合物, Cr₃C₂ 则发生分解, 除少部分[ C]与[Cr ]固溶于Ni₃Al 基体中外, 大部分反应析出更稳定的Cr₇C₃ 相, 其尺寸取决于堆焊层中不同区域的冷却环境,较为均匀地分布于Ni₃Al 基体中。由于Cr 在Ni₃Al 中的固溶度远大于C , 加之Cr₃C₂ 转化为Cr₇C₃ 也造成部分富余的C , 结果造成在该Ni₃Al 表面强化材料焊层中形成石墨相, 其密度轻、熔点高, 主要偏聚于焊层表层。Cr₇C₃ / Ni₃Al 复合材料的室温、高温硬度远高于传统高温耐磨材料Stellite 合金, 该材料有望成为一种新型的高温耐磨表面强化材料。      

Sputter deposited nanocrystalline Ni-25Al alloy thin films and Ni/Ni3Al multilayers

Thin films of nominal composition Ni-25at%Al have been sputter deposited from a target of the intermetallic compound Ni₃Al at different substrate deposition temperatures. The film deposited on an unheated substrate exhibited a strongly textured columnar growth morphology and consisted of a mixture of metastable phases. Nanoindentation studies carried out on this film exhibited a strong strain hardening tendency. In contrast, the film deposited at 200 °C exhibited a recrystallized non-textured microstructure consisting of grains of a partially ordered Ni₃Al phase. At higher deposition temperatures (∼400 °C), larger grains of the bulk equilibrium, long-range ordered, Ll₂ Ni₃Al phase were observed in the film. Unlike the film deposited on an unheated substrate, the films deposited at elevated temperatures did not exhibit any dependence of the hardness on the indentation depth and, consequently no strain hardening. The average hardness of the film deposited at 200 °C was higher than the one deposited at 400 °C. In addition to monolithic Ni-25Al thin films, multilayered Ni/Ni3Al thin films were also deposited. Multilayers deposited non-epitaxially on unheated substrates exhibited a strong {111} fiber texture while those deposited epitaxially on (001) NaCl exhibited a {001} texture. Free-standing multilayers of both types of preferred orientations as well as of different layer thicknesses were deformed in tension untill fracture. Interestingly, the {111} oriented multilayers failed primarily by a brittle fracture while the {001} multilayers exhibited features of ductile fracture.     

Fe3Al/Al2O3复合材料制备工艺研究

探索了一种新型复合材料的熔渗烧结制备工艺, 它不仅是新工艺的探索, 更重要的是为这种新型材料的无压烧结和开发利用进行了有益的探索。实验表明, 熔渗烧结法是一种可行的复合材料制备方法。      

Etching characteristics of Ni3Al

Etched surfaces of Ni₃Al (γ′ phase) and mixtures of Ni₃Al and Ni (γ phase) have revealed a large variation in gray level for different grains depending upon their crystallographic orientation. A selected area electron channeling pattern study in the scanning electron microscope has shown that grains oriented near 001 etch light, while those oriented near 111 etch dark with a gradual transition for intermediate orientations. It is shown that the etching characteristics result from formation of {001} facets on the etched surface, which produces a nearly planar surface on {001} faces and microfaceted arrays of very small pyramidal projections having {001} facet planes on the {111} faces.     

Analysis of the microstructure of Cr–Ni surface layers deposited on Fe3Al by TIG

A series of Cr–Ni alloys were overlaid on a Fe₃Al surface by tungsten inert gas arc welding (TIG) technology. The microstructure of the Cr–Ni surface layers were analysed by means of optical metallography, scanning electron microscopy (SEM) and X-ray diffraction (XRD). The results indicated that when the appropriate TIG parameters were used and Cr25–Ni13 and Cr25–Ni20 alloys were used for the overlaid materials, the Cr–Ni surface layers were crack-free. The matrix of the surface layer was austenite (A), pro-eutectoid ferrite (PF), acicular ferrite (AF), carbide-free bainite (CFB) and lath martensite (LM), distributed on the austenitic grain boundaries as well as inside the grains. The phase constituents of the Cr25–Ni13 surface layer were γ-Fe, Fe₃Al, FeAl, NiAl, an Fe–C compound and an Fe–C–Cr compound. The microhardness of the fusion zone was lower than that of the Fe₃Al base metal and Cr25–Ni13 surface layer.     

碳纤维表面改性增强Fe3Al-Al2O3复合材料的制备及组织性能

采用溶胶-凝胶分散和热压烧结制备了短切碳纤维（CF_s）/Fe₃Al-Al₂O₃复合材料。分别通过电化学镀Cu和化学气相沉积SiC对CF_s表面修饰和改性,研究了Cu镀层和SiC涂层对CF_s/Fe₃Al-Al₂O₃复合材料显微组织、相组成、力学性能及断裂行为的影响。结果表明,未修饰的CF_s在Fe₃Al-Al₂O₃基体中受到严重侵蚀,CF_s/Fe₃Al-Al₂O₃复合材料致密度低,抗弯强度仅为239.0 MPa,与Fe₃Al-Al₂O₃强度相当;表面镀Cu可有效保护CF_s不被侵蚀,同时提高了CF_s/Fe₃Al-Al₂O₃复合材料的烧结致密性和界面结合强度,从而明显提高了复合材料的断裂强度,但断裂过程中纤维拔出较短;CF_s表面沉积SiC的CF_s/Fe₃Al-Al₂O₃复合材料组织均匀致密,表面涂层完整,且与纤维及基体之间结合力相当,断裂过程中,涂层既可随纤维一起拔出基体,也可与CF_s分离而留在基体之中,SiC涂层与纤维及基体之间的弱相互作用很大程度上促进了纤维脱黏和拔出,从而促进CF_s/Fe₃Al-Al₂O₃复合材料韧化所需的渐进破坏机制。      

Rapidly Solidified and Annealed Powders of Ni3Al

Rapidly solidified powders of stoichiometric Ni₃Al (B,Ti) were characterized, both as received and after short anneals. Powders generally exhibit spherical morphologies; deviations arise from particle collisions. In the as-received state the stoichiometric Ni₃Al exhibits both lamellar and dendritic structures but the Ni₃Al (B,Ti) contains only dendrites. Only small compositional variations exist across lamellae or dendrites. The as-received powders are only partially ordered. Annealing homogenizes the microstructure and produces strongly ordered structures in which most particles develop large grains. Hardness decreases during annealing. No cracks were found around microhardness indentations on any powders, indicating that Ni₃Al exhibits ductility under compression.     

Al2O3/(纳米)Fe3Al复合材料位错形貌的TEM观测

利用TEM对Fe₃Al/Al₂O₃复合材料的位错形貌进行了观测分析,观察到Fe₃Al/Al₂O₃中丰富的位错组态。根据透射电镜观察,引入Fe₃Al后,Al₂O₃晶内产生大量位错,位错多产生于Fe₃Al于Al₂O₃相界面附近,亚界面的形成使基体晶粒再细化,使强度提高。在Fe₃Al中观察到超点阵位错,对材料起到"有序强化"作用。      

Hardness of sputter deposited nanocrystalline Ni3Al thin films

Nanocrystalline thin films of nominal composition Ni-25 at.% Al have been sputter deposited from a target of the intermetallic compound Ni₃Al using different sputtering conditions. Increase in the pressure of sputtering gas resulted in a substantial reduction in the grain size of these nanocrystalline films and a consequent enhancement in their hardness. While films deposited onto heated substrates exhibited larger grain sizes as compared to those deposited on unheated substrates at the same sputtering pressure, the hardness of the former films was substantially higher. The reason for this enhanced hardness is the long-range chemical ordering in films deposited on heated substrates and the formation of L1₂-Ni₃Al, the thermodynamically stable phase for this composition.     

Alloying element additions to Ni3Al: Site preferences and effects on elastic properties from first-principles calculations

First-principles calculations were performed to study the effects of alloying elements (Mo, Re, Ta, W, Ti, Co, Nb, Ru, Cr, Y) on the elastic properties of Ni₃Al. The site preferences of the alloying elements in Ni3Al at different temperature and concentrations were predicted. The influence of alloying elements on the lattice parameters of Ni₃Al were calculated and compared with the values fitted from experimental data. The effects of alloying elements on the elastic constants of Ni₃Al were present. The directional shear and Young’s moduli for single-crystal Ni₃Al alloys with alloying elements were estimated. The bulk, shear, and Young’s moduli of polycrystalline alloys were obtained. It is found that all the alloying elements occupy Al sites except Ru and Co, which may occupy both sites depending on concentration and temperature. All the elements increase shear and Young’s moduli of single-crystal Ni₃Al in all orientations except Cr, Co and Y. All the elements increase both bulk and shear moduli of polycrystalline Ni₃Al except Co and Y. The solute atoms with higher bulk modulus tend higher bulk modulus of Ni₃Al alloys, and the bulk modulus is related to the mole volume either.     

Molecular dynamics simulations of amorphisation in Al and Ni3Al

Using Molecular Dynamics and an Embedded Atom Method (EAM) potential derived by Voter and Chen [1] for the Ni---Al binary alloy system, simulations of the crystalline to amorphous transition have been performed in fcc Al and L1₂ Ni₃Al lattices containing approximately 10 000 atoms under shock loading conditions. With tensile stress simulations, at 300 K Al turned amorphous after copious emission of dislocations, while at 10 K it did not become amorphous. The regions of amorphisation were found to be well correlated to high levels of local volume change (ΔV/V = 10%). For the Ni₃Al simulations, only shear stresses were used, and in this case the onset of amorphisation appeared to be triggered by copious dislocation multiplication. Both homogeneous and heterogeneous nucleations were observed and the propagation pattern of the amorphisation transformation very much resembled a percolation process.     

Microstructural characterization of P/M Ni3Al consolidated by HIP

Rapidly solidified powder of Ni₃Al doped with boron was produced by inert gas atomization and consolidated by hot isostatic pressing (HIP). Morphology and microstructure of the powder were studied. From the particle morphology, it could be deduced that the solidification time was similar at least to the time necessary for complete fragmentation of the liquid. The powder showed a two-phase microstructure that was finer the smaller the particle size. The presence of dendrites of NiAl (β) phase was consistent with the diagram proposed by Schramm and not with the traditional diagram of Singleton et al. The microstructure of the material consolidated at 1100°C and 1200°C was studied. A monophasic structure was observed after HIP, and no relevant microstructural differences were seen between the two temperatures used.     

Surface nanocrystallization of Ni3Al by surface mechanical attrition treatment

The mechanical property and microstructure evolutions of Ni₃Al intermetallic compound subjected to surface mechanical attrition treatment (SMAT) were investigated in relation to surface nanocrystalization. Grain size in topmost surface of SMATed Ni₃Al alloy was refined to a minimum size of about 10 nm, and then increased with the enhancement of the depth from surface to matrix. The original ordered L1₂ phase transformed to Ni (Al) solid solution with a disordered face-centered cubic structure. The maximum nanohardness of the deformed Ni₃Al alloy was near 12 GPa. The microstructure evolution including the variation of defects during the SMAT as well as post-annealing processes showed that the surface nanocrystallization of Ni₃Al intermetallic compound was predominantly controlled by dislocations which divided the coarse grains. The different microstructures at each sublayer illustrated that the nanocrystallization process was decided by the accumulated energy resulted from plastic strain.     

MODE I AND MIXED MODE I/II FATIGUE CRACKING IN Ni3Al(CrB) SINGLE CRYSTALS

Abstract— Nominal mode I and mixed mode I/II fatigue tests were carried out using the intermetallic compound Ni₃Al(CrB) in the form of single crystal specimens. The effects of crystal orientation and load mode on fatigue crack initiation and growth were studied. The fracture surfaces of the single crystals were characterized by a cleavage-like appearance and cracking occurred either on a single {111} plane or on multiple {111} planes irrespective of whether mode I or mixed mode I/II loadings were applied. It was found that the crack initiation and growth behaviour are dependent on both crystal orientation and applied loading mode. The cracking behaviour predicted by three mixed mode fracture criteria (MTS, SED and G criteria) in polycrystalline materials under mixed mode loading can be understood from the present results on single crystals.     

Tribological properties of Fe3Al material under water environment

The tribological properties of Fe₃Al material under water environment sliding against Si₃N₄ ceramic ball were studied using an Optimol SRV oscillating friction and wear tester in a ball-on-disc contact configuration. Effects of load and sliding speed on tribological properties of the Fe₃Al material were investigated. The worn surfaces of the Fe₃Al material were analyzed by a scanning electron microscopy (SEM) and an X-ray photoelectron spectroscopy (XPS). Wear rate of the Fe₃Al material was in the orders of 10⁻⁴ mm³ m⁻¹ and increased with increasing load and increasing sliding speed. Friction coefficient of the material was in the range of 0.37–0.6, and decreased slightly with increasing load, but increased at first and then did not vary with increasing sliding speed. The wear mechanism of the material was transformed from microploughing to delaminating with increasing load and sliding speed.     

Gd2Co2Al合金的磁相变及磁热效应

电弧炉熔炼的Gd2Co2Al合金在铸态条件下即为W2Co2B型单相正交结构。变温磁化曲线表明,当外加磁场为0.01和0.1T时,可以在40、77和215K附近观察到磁相变;而外加磁场增加到1T以上时,40和215K温度处的磁相变消失。在排除第二相相变的前提下,推测215和77K处的相变对应Gd2Co2Al合金中Co和Gd次晶格的磁有序相变,而40K处的相变可能是由于自旋重取向产生。在0～5T磁场变化下,Gd2Co2Al合金在77K附近的最大磁熵变(-ΔSMmax)为10.7J/kgK,相对制冷量的值为5.4×102J/kg,表明该合金适合作为工作在液氮温区附近的磁致冷工质。