含Nd镁铝合金电子结构计算与强化机制分析

基于EET理论,计算了Nd元素加入Mg-Al合金后形成的Mg-Al-Nd固溶体,第二相Al2Nd,Al3Nd价电子结构,研究了价电子结构与合金固溶强化、第二相强化、高温稳定性和晶粒细化的关系.Mg-Al-Nd最强键共价电子对数nA值和共价电子密度ρCV值均大于α-Mg的nA值和ρCV值,表明Nd的固溶有利于基体强度的提高;第二相Al2Nd最强键(nA=0.44396)与Al3Nd最强键(nA=0.38949)的键合强度均远大于基体α-Mg(nA=0.11199)的键合强度,因此,Al2Nd和Al3Nd极大地阻碍了位错的运动,提高了合金的强度;Al2Nd和Al3Nd的单位体积成键能力FV值分别为145.91和242.35,与γ-Mg17Al12(Fγ-Mg17Al12V＝44.22)相比较,它们的高温稳定性更好,其存在有利于改善Mg-Al合金的高温性能;Nd提高了液态合金中邻近原子间键合强度,增加了基体的形核率,减缓了晶粒长大速度,进而细化了晶粒,提高了合金的力学性能.     

Ni-Al系金属间化合物价电子结构与性能分析

NiAl和Ni3Al金属间化合物熔点高、密度低,具有较好的热传导性和良好的抗氧化性,是航空航天领域很有潜力的高温结构材料.运用固体与分子经验电子理论分析了NiAl和Ni3Al金属间化合物的价电子结构,并从电子结构层次初步探讨了NiAl和Ni3Al金属间化合物的强度、稳定性、室温脆性及熔点等问题.计算结果表明,化学计量比的NiAl和Ni3Al的脆性因子均小于0.08,室温下表现为本征脆性,NiAl的脆性比Ni3Al的脆性大;NiAl的熔点和强度均比Ni3Al的高,稳定性比Ni3Al的差.     

二元AlRE3化合物价电子结构研究

本文以固体与分子经验电子理论(EET)为基础,用键距差(BLD)法对5种二元AlRE3化合物进行了价电子结构的计算.通过分析发现,5种二元AlRE3化合物的最强键键能远大于Al的最强键键能,且塑性、弹性和强度均显著提高.     

含微量Y的Ni-20Al-30Fe定向合金的研究

一、引言 近年来,在金属间化合物中,特别是Ni—Al系长程有序金属间化合物作为高温结构材料应用前景日趋明显。B_2型Ni—Al化合物具有高熔点、低密度、高热传导性以及优良的抗氧化性能等特点,作为航空航天工业耐热结构材料具有更大潜力。但由于它低温塑性差,中温、高温强度低,限制了它的应用。为了改善低温塑性和提高中温、高温的强度,人们正进行各方面的努力。In-oue等人研究了快速凝固法制备Ni—20Al—30Fe线材合金性能,Sumit Guha等人也对同一成分合金通过热挤压成型工艺研究了该挤压合金的室温性能。结果表明,Fe的加入可提高B_2型NiAl合金的室温塑性,但对高温性能未作报道,这一较好的结果说明了Ni—Al—Fe系合金是值得重视和研究的。在高温合金和在Ni_3Al金属间化合物的研究中发现,少量的稀土元素Y的加入对合金塑性和抗氧化性有好处。为此,我们试图通过加入微量稀土元素Y(0.01wt％)和采用定向结晶工艺,达到提高Ni—20Al—30Fe合金的强度与塑性的目的。     

Y对Zn-25Al-5Mg-2.5Si合金铸态组织及力学性能的影响

以Zn-25Al-5Mg-2.5Si合金为基体材料,通过常规铸造方法制备了加入不同含量稀土Y的锌铝合金.采用扫描电镜、拉伸试验机、硬度计等分析研究了稀土Y对合金显微组织和力学性能的影响.实验结果表明,添加稀土Y后,在锌铝合金中,其与Al、Zn等元素形成硬度高、热硬性好的复杂成分化合物,分散于晶界和枝晶中,细化了组织,有效地阻碍了高温时基体的变形和晶界移动.随着Y含量的增加,在室温、100℃和180℃时合金的抗拉强度基本呈先升后降的趋势.当Y含量为0.4%(质量分数)时合金的综合性能最好,高温强度和硬度显著提高.180℃时合金的抗拉强度比不加Y时提高了26.4%,硬度提高了47.8%.     

稀土钇对2519合金组织及耐热性能的影响

采用X射线、光学显微镜、扫描电镜及透射电镜等手段研究了微量稀土Y对2519合金的显微组织及耐热性能的影响.结果表明,在2519合金中Y元素与Cu,Al元素主要形成Al6Cu6Y金属间化合物,并沿晶界分布.这些金属间化合物有效阻碍高温时基体的变形和晶界的移动,提高合金高温强度.添加0.20%Y(质量分数)可使合金200℃时的抗拉强度提高30%,但伸长率有所下降.Y含量的进一步增加,含Y化合物聚集长大成块,合金室温及高温力学性能降低.同时发现,微量的Y细化了合金的再结晶组织,细化了合金强化相θ′相.添加0.10%Y时可使合金的室温强度提高20MPa.     

CdS晶体的价电子结构分析和结合能、熔点计算

应用固体与分子经验电子理论(EET)分析了半导体化合物硫化镉(CdS)的价电子结构,并计算了化合物的键能、熔点,计算值与实验值一致。CdS的闪锌矿和纤锌矿两种结构的价电子计算结果表明,两种结构的价电子分布非常相似,其键能主要分布在最近的4条Cd-S键上。闪锌矿和纤锌矿结构的CdS中的Cd原子和S原子都应处于第四杂阶。键能分布计算结果表明,常温下,六角结构的CdS要比立方结构的CdS更加稳定,但两种结构的结合能差值相对于键能非常小,晶体结构的各向异性也在减弱,但总体来说其结构稳定性差别不大,很容易受到环境影响而发生相互转化。对熔点的计算结果表明,CdS的固相稳定性与其共价电子结构密切相关,对熔点起主要作用的是最强键的共价电子对数,其对纤锌矿和闪锌矿两种结构熔点的影响率分别为93.4%和99.2%。     

合金元素在Ni3Al金属间化合物中的作用

介绍了Ni3Al基金属间化舍物研究的现状和前景.由于Ni3Al基金属间化合物具有高熔点、低密度和良好的抗氧化性等性能,长期以来作为高温结构的候选材料而得到了广泛的关注,但是Ni3Al在室温下塑性差和高温时强度低限制了它的使用.采用合金化的方法可使Ni3Al基金属间化合物的性能得到改善,着重介绍了合金元素在Ni3Al基金属间化合物中的作用.     

微合金钢价电子结构与力学性能关联的计算分析

基于EET理论(固体与分子经验电子理论),以经淬火-分配-回火(Q-P-T)工艺热处理的微合金钢为研究对象,计算了其主要组成晶胞的价电子结构,提出表征微合金钢宏观力学性能的新参量:等效共价电子密度和键能统计值,并给出了准确定义及实验验证,从原子成键角度建立微合金钢各组成晶胞价电子结构相关参数与其强塑性的本质关联.研究表明:微合金钢中马氏体组元为硬脆相,对微合金钢力学性能主要起强化作用;奥氏体组元为塑软相,对微合金钢力学性能主要起韧化作用,而微合金钢表现出的宏观力学性能是其各组元晶胞的价电子结构参数与晶胞含量共同决定的结果.等效共价电子密度是其强度的表征,等效共价电子密度越大,微合金钢强度越大;而键能统计值是其塑性的表征,键能统计值越大,微合金钢塑性越大.     

准晶增强镁、铝基复合材料的研究进展

综述了利用准晶作为镁、铝合金增强相的研究进展。Mg3Zn6Y准晶的界面能低,与α-Mg基体之间形成稳定的界面结合,在高温变形过程中,准晶本身不发生粗化且可以抑制基体组织演化,因此,Mg3Zn6Y准晶增强变形Mg基复合材料具有中等强度和较高的室温、高温塑性。由于到目前为止发现的Al系稳定准晶都不与Al相共生,准晶增强Al基复合材料主要采用快速凝固的方法和外加的方法制备,如粉末冶金法、机械合金化法和液态搅拌法等。综述了采用以上方法制得的准晶增强Al基复合材料的组织特征及其力学性能。     

Interactions between Y2O3–Al mixture studied by solid-state reaction method

Interactions between Y₂O₃–Al mixture studied by solid-state reaction method were investigated in present paper. Interactions between Y₂O₃–Al mixture was characterized by differential thermal and thermogravimetric analyses and X-ray diffraction, Y₂O₃–Al mixture and yttrium aluminum garnet (YAG) powder as final reaction product were characterized by scanning electron microscopy. The results show Al is isolated with Y₂O₃ by aluminum oxide layer in air, and no opportunity of directional reaction between Y₂O₃–Al systems. With temperature increasing to ∼569 °C, aluminum partly turned into transitional aluminas, Y₂O₃ reacts with transitional aluminas instead of aluminum to form yttrium aluminum monoclinic (YAM) and yttrium aluminum perovkite (YAP) phases after calcination at 600 °C, 800 °C separately, and pure YAG powder is obtained after calcination at 1200 °C. From the point of view of reaction temperature, the reaction between Y₂O₃ and transitional aluminas is easier than that of Y₂O₃ and Al or α-Al₂O₃.     

Study on microstructure and properties of Ni-based alloy/Y2O3-deposited metals by laser cladding

Laser cladding of Ni-based alloy/Y₂O₃ (Yttrium Oxide) powder on 6061 aluminum alloy was carried out using 3 kW CW Nd:YAG laser to strengthen and improve hardness and corrosion resistance of substrate. Metal matrix composite composed of aluminum substrate, Ni-based alloy, refining and dispersion strengthening Y₂O₃, and particle hardening W, Cr was obtained. The microstructure and morphology, phase identification, element diffusion, and composition analysis of the Ni-based alloy/Y₂O₃-deposited metal and deposited metals/6061 aluminum substrate interface were examined using scanning electron microscopy (SEM), Electron Probe Micro-analyzer (EPMA) with energy-dispersive spectrometer (EDS) analysis. The micro-hardness distribution and corrosion-resistance property were investigated also. The results showed: (1) with the addition of Y₂O₃, more fine microstructures consisted of isometric crystal, white acicular crystal, and fringe crystal, primary phases were mainly Ni₃Al, NiAl, NiAl₃, W, α-Al, and Cr _x C. (2) Micro-hardness of deposited metals was 780–1100 HV_0.2 and distributed smoothly near interface. The corrosion rate of aluminum substrate was nearly twice that of deposited metals with addition of Y₂O₃.     

Thermally stable microstructures and mechanical properties of B4C-Al composite with in-situ formed Mg(Al)B2

B₄C particulate-reinforced 6061Al composite was fabricated by powder metallurgy method. The as-rolled composite possesses high tensile strength which is comparable to that of the peak-aged 6061Al alloy. More importantly, the microstructures and mechanical properties are thermally stable during long-term holding at elevated temperature (400 °C). The microstructual contributions to the strength of the composite were discussed. Transmission electron microscopy (TEM) analysis indicates that the in-situ formed reinforcement Mg(Al)B₂, as products of the interfacial reactions between B₄C and the aluminum matrix, show not only good resistance to thermal coarsening but also strong pinning effect to the grain boundaries in the alloy matrix.     

Superior mechanical properties of a selective-laser-melted AlZnMgCuScZr alloy enabled by a tunable hierarchical microstructure and dual-nanoprecipitation

Achieving high mechanical strength and ductility in age-hardenable Al7000 series (Al–Zn–Mg) alloys fabricated by selective laser melting (SLM) remains challenging. Here, we show that crack-free AlZnMgCuScZr alloys with an unprecedented strength–ductility synergy can be fabricated via SLM and heat treatment. The as-built samples had an architectured microstructure consisting of a multimodal grain structure and a hierarchical phase morphology. It consisted of primary Al₃(Sc_x,Zr_1−x) particles which act as inoculants for ultrafine grains, preventing crack formation. The metastable Mg-, Zn-, and Cu-rich icosahedral quasicrystals (I-phase) ubiquitously dispersed inside the grains and aligned as a filigree skeleton along the grain boundaries. The heat treated SLM-produced AlZnMgCuScZr alloy exhibited tunable mechanical behaviors through trade-off among the hierarchical features, including the dual-nanoprecipitation, viz, η′ phase, and secondary (Al,Zn)₃(Sc₉Zr), and grain coarsening. Less coarsening of grains and (Al,Zn)₃(Sc₉Zr) particles, due to a reduced solution treatment temperature and time, could overwhelm the more complete dissolution of I-phase (triggering more η′ phase), resulting in higher yield strength. Optimal combination of the hierarchical features yields the highest yield strength (∼647 MPa) among all reported SLM-produced Al alloys to date with appreciable ductility (∼11.6%). The successful fabrication of high-strength Al7000 series alloys with an adjustable hierarchical microstructure paves the way for designing and fine-tuning SLM-produced aluminum engineering components exposed to high mechanical loads.     

Interfaces in nickel aluminide/alumina fibre composites

Metal matrix composites based on the intermetallic alloy Ni₃Al and fibres of Al₂O₃ were fabricated by hot-pressing nickel aluminide powders and alumina fibres. Two matrix alloys were used in this investigation: Ni₃Al microalloyed with boron and Ni₃Al alloyed with 8 at% chromium and smaller amounts of zirconium and boron. The materials were studied using optical and transmission electron microscopy with particular emphasis placed on the characteristics of the matrix-fibre interface. The base Ni₃Al/Al₃O₃ composite displayed no evidence of chemical reaction at the interface, an intimate bond between matrix and fibre was observed, and the material exhibited 10% ductility at room temperature. Composites with the more complex matrix alloy were brittle, a phenomenon attributed to the formation of zirconia particles at the interface.     

Enhanced tensile ductility in a nanostructured Al–7·5%Mg alloy

Abstract

This paper reports work on the enhanced tensile ductility in a nanostructured Al–7·5%Mg alloy with a mean grain size of 90 nm processed via consolidation of cryomilled Al–Mg powders. An annealing treatment at a temperature of 773 K for 2·5 h modified the extruded microstructure slightly without causing significant grain growth, as revealed by TEM and XRD patterns. The annealing treatment significantly improved the ductility, with a remarkably small loss in strength. The observed high thermal stability of the cryomilled Al alloy was attributed to the existence of impurity elements introduced during cryomilling and the presence of a supersaturated solid solution. The reported phenomenon of enhanced tensile ductility was attributed to a mechanism involving dislocation activity in submicron grains during plastic deformation.     

Characterization of the correlation between the interfaces and failure behaviors for particle reinforced Mg–Li composites

The interfacial microstructure of SiC_p or YAl_2p reinforced Mg–14Li–3Al matrix composites was comparatively characterized by scanning electron microscopy and electron probe microanalysis. A nanoindentation combined with scanning electron microscopy technique was used to characterize the interfacial mechanical properties between the reinforcements and matrix. The interfacial strength and failure behaviors for the composites were analyzed from the load–penetration curves and corresponding images. In situ tensile tests were used to observe the fracture and deformation processes with the aid of scanning electron microscopy. The results show that both the chemical and mechanical compatibilities between the YAl₂ particles and LA143 matrix are better than those between the SiC particles and LA143 matrix. The interfacial breakage load for the SiC/LA143 composite is lower than that for the YAl₂/LA143 composite because of the worse chemical and mechanical compatibilities between the ceramic particles and metal matrix. Interfacial breakage is the main failure mechanism for the SiC/LA143 composite, while the particle breakage and matrix crack are the main failure mechanism for the YAl₂/LA143 composite. These may be related to the stronger interfacial bonding between the intermetallic particles and metal matrix.     

Effect of copper and nickel coating on short steel fiber reinforcement on microstructure and mechanical properties of aluminium matrix composites

Commercially pure Al base short steel fiber reinforced composites were prepared by stir casting method and poured into a cast iron mould. Steel fibers were coated with copper and nickel by electroless deposition method. The density, hardness and strength of composites increased as compared to matrix alloy. The mechanical properties of these composites were measured and the results were correlated with the microstructure observation. It was found that copper-coated short steel fiber reinforced composites show considerable improvement in strength with good ductility because copper form a good interface between Al matrix and short steel fiber. Nickel-coated steel fiber reinforced composites showed improvement in strength to a lower extent possibly because of formation of intermetallic compound at the interface. The improvement in strength with uncoated fibers and nickel-coated fibers is on the lower side because of formation of brittle intermetallic compounds like Fe₂Al₅ and FeAl₃. Fracture surface of tensile specimen was examined under SEM, which revealed a ductile fracture. Copper coating on steel fiber improved the strength properties while retaining a high level of ductility due to better interface bonding.     

A novel method to control agglomeration of ultrafine YAl2 particles in YAl2p/MgLiAl composite

A MgLiAl matrix composite reinforced with modified ultrafine YAl₂ particles was developed by stirring casting, in which YAl₂ particles were modified by milling YAl₂ and Mg particles. The effects of milling on the microstructures of YAl₂ particles and the dispersity of YAl₂ particles in YAl₂-Mg mixture were investigated. The microstructures and mechanical properties of the composite were presented. The results show that, after mix milling, elemental magnesium exists around YAl₂ particles and YAl₂ particles distribute homogeneously in YAl₂-Mg mixture. YAl₂-Mg mix milling is greatly beneficial to control agglomeration of ultrafine YAl₂ reinforcement in matrix, and the reinforcement is uniformly distributed in the matrix. The tensile strength of the 5 vol.% YAl_2p/MgLiAl composite increases by 90% as compared to the matrix alloy, while the elongation is keep at 7%.     

Microstructures and mechanical properties of Mg–Zn–Y alloy consolidated from gas-atomized powders using high-pressure torsion

In this paper, rapid solidified Mg₉₅Zn_4.3Y_0.7 (at.%) alloy powders produced by an inert gas atomizer were consolidated using a severe plastic deformation technique of high pressure torsion (HPT) at room temperature and 373 K. The behavior of powder consolidation, matrix microstructural evolution, and mechanical properties of the powders and compacts were investigated using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, microhardness, and tensile testing. As the HPT processing temperature increases, the powders are more plastically deformed due to decreased deformation resistance, grain boundaries are more in equilibrium, powder bonding is enhanced due to increased interparticle diffusion, hence, tensile ductility and strength increases. On the other hand, hardness decreases with the increased processing temperature, due to less dislocation density.