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 the partial substitution of Mg by Al on the crystal structure and hydrogenation behavior of La2Mg17

The effect of the partial substitution of Mg by A1 on the crystal structure of La2Mg17 has been investigated. It was found that the LaEMgl7 phase disappears after the partial substitution of Mg by Al. The LaE（Mgo.gAl0.1）17 alloy contains La（Mg,AI）12 and La（Mg,Al）2. Further increasing the Al content, the La2（Mg0.8Al0.2）17 alloy consists of La（Mg,Al）12, La（Mg,Al）2, and Mg. The La（Mg0.93Al0.07）12 phase in the La2（Mg0.9Al0.1）17 alloy crystallizes with the ThMn12-type structure in space group 14/mmm （No. 139）. The lattice parameters were determined to be a = 1.03246（7） nm and c = 0.59410（6） nm. In the ThMn12-type structure, AI atoms occupy 8f site but the A1 content is limited. Moreover, the hydrogenation character- istics have also been compared. La2Mgl7 decomposes into LaH3 and MgH2 under hydrogen, but the La（Mgo.93Alo.o7）12 phase can be hydrogenated into LaH3, MgH2, and La3Al11 at 473 K.     

Microscopic phase-field simulation of atomic site occupation in ordering process of NiAl9Fe6 alloy

The process of γ（fcc）→γ（fcc）＋γ＇（L12） phase transformation was simulated by using microscopic phase-field method for the low supersaturation NiAl9Fe6 alloy. It is found that in the γ＇ phase, the ordering degree of Al atoms is obviously higher than that of Fe atoms, and the ordering of Al atoms precedes their clustering, while the case of Fe atoms is opposite. The a site is mainly occupied by Ni atoms, while the β site is occupied in common by Al, Fe and Ni atoms. At order-disorder interphase boundary, the ordering degree of Al atoms is higher than that of Fe atoms, and at the β site, the Fe atomic site occupation probabilities vary from high to low during ordering; the Al atomic site occupation probabilities are similar to those of Fe atoms, but their values are much higher than those of Fe atoms; Ni atoms are opposite to both of them. Meanwhile, during the ordering transformation, γ＇ phase is always a complex Ni3（AlFeNi） single-phase, and it is precipitated by the non-classical nucleation and growth style. Finally, in the alloy system, the volume of γ＇ ordered phase is less than that of γ phase, and the volume ratio of order to disorder is about 77%.     

Microscopic Phase-Field Simulation for the Influence of Interatomic Potential on the Precipitation Process of Ni_(75)Al_(14)Mo_(11) Alloy

The process of γ' phase precipitating from Ni_(75)Al_(14)Mo_(11) is studied by a computational simulation technique based on microscopic phase-field kinetics model. We studied the phase transformation with the purpose of clarifying the influence of the nearest interatomic potential V_(Ni–Al)(the nearest interatomic potential) on the precipitation process of γ' phase. The result demonstrates that there are two kinds of ordered phases, respective L1_0 and L1_2 in the early stage, and L1_0 phase transforms into L1_2 phase subsequently. For L1_2 phase, Ni atoms mainly occupy α site(face center positions),while Al and Mo atoms occupy β sites(the vertex positions). When V_(Ni–Al) is increased by 10 MeV, the occupation probability of Ni atoms on α sites and Al atoms on β sites are enhanced. Enhanced V_(Ni–Al) facilitates clustering and ordering of Al atom, which promotes the formation of the γ' phase. At last, the simulation result was discussed by employing the thermodynamic stability.     

Effect of AI content on the phase structure and the hydrogenation characteristic of La（Mg1-xAlx） alloys

La（Mg1-xAlx） （x=0.2, 0.4, 0.6, 0.8） alloys have been prepared using induction melting followed by annealing. It is found that partial substitution of Mg by Al does not lead to a change in crystal structure, and the alloys have a single LaMg phase when x 〈 0.4. The lattice parameter of the LaMg phase decreases obviously after the partial substitution of Mg by Al. However, further substitution of Mg by Al leads to the coexistence of multiple phases when x ≥ 0.6. The alloys consist of the LaMg, LaAl, LaAl2, and La5Al4 phases. The LaMg phase decreases, whereas the La5Al4 phase increases with the increase in x. The Al-substituted La（Mgo.6Al0.4） alloy can be hydrogenated into the tetragonal LaH3, cubic LaH3, MgH2, and LaPd under 5 MPa at 473 K for 5 d.     

INFLUENCE OF ASSOCIATED AND SEPARATE PRECIPITATION OF γ″ AND γ′ ON STRUCTURE STABILITY IN INCONEL718 AND MODIFIED ALLOYS

The precipitation behavior in Inconel 718 and modified alloys has been studied by means ofTEM.The structure of associated precipitation and compact morphology of γ″+γ′ were ob-tained by modifying the contents of Al,Ti and Nb.Experimental results show that the com-pact morphology of γ″+γ′ has the best structure stability at higher temperatures.Instead ofthe transformation γ″→δ in alloy 718 the dissolution of strengthening phases in modified alloyleads material degradation.     

INFLUENCE OF Al ON DUCTILITY IMPROVEMENT BY B IN Ni_3Al ALLOYS

The “order-disorder” model was adopted to calculate the lattice vacancies related to the com- position change in Ni_3Al alloys.A great deal of vacancies,i.e.,the non-stoichiometric vacan- cies,may exist in the Ni_3Al alloys containing Al over stoichiometry,i.e.25 at.-%.This was confirmed by the positron annihilation technique.Therefore,the influence of Al content on the enhancing behaviour of B towards the ductility of Ni_3Al alloys can be understood by the interaction of non-stoiehiometric vacancies and B atoms.     

EFFECT OF Zr ON DUCTILITY OF CAST Ni_3 Al-BASE ALLOYS

Many compressive and tensile tests showed that the room temperature ductility of boron-freeNi_3Al alloy may be markedly improved by a moderate addition of Zr.The ductility of thestoichiometric Ni_3Al and even slightly enriched with Al,may be improved fairly between 400—600℃,which behaves much better if Zr is added together with B.However,the high tem-perature ductility of Ni_3Al alloys containing Cr may be significantly increased by Zr whichsegregates slightly along grain boundaries.Thus,the toughening mechanism of Zr alloyingseems to be different from that of B addition.     

Electronic structure and physical properties of hcp Ti3Al type alloys

According to the basic information of sequences of Ti and Al characteristic atoms in hcp Ti-Al system, the compositional variations of the electronic structure, atomic potential energies, atomic volumes, lattice constants and cohesive energies of the ordered hcp Ti3Al type alloys were calculated by the framework of systematic science of alloys（SSA）. The electronic structure of the hcp Ti3Al compound consisted of ψ4h^Ti and ψ0h^Al atoms is 0.75[Ar] （3dn）^0.573（3dc）^2.1685（4sc）^0.972（4sf）^0.3093＋0.25[Ne]（3sc）^1.32（3pc）^1.19（3sf）^0.49. The factors of controlling lattice stability are electronic structure, atomic energies and atomic concentration. The ψ4h^Ti atoms play a determinative role in forming D019 structure with a=0.287 2 nm, c=0.456 4 nm, atomic cohesive energy e=4.810 8 eV/atom and heat of formation △H=-0.332 8 eV/atom. These calculated values are in good agreement with experimental values （a=0.287 5 nm, c=0.46 0 nm, △H=-0.27, -0.29 eV/atom）. The calculated cohesive energy of the hcp Ti3Al compound is slightly bigger than that of the fcc Ti3Al.This is a good sign that makes it feasible to stabilized L 12 structure of the hcp Ti3Al compound by ternary element, The new element should have more dc-electrons than Ti-metal and occupy at the Ti-lattice points.     

IN718合金γ'、γ'、中(Ti+A1)/Nb比值的变化对其相含量的影响

建立了用于计算γ′-Ni3Al和γ′′-Ni3Nb成分及含量的最优化数学模型,证明了通过复相分离法(Multiple Phases Separation Method,以下简称MPSM)计算两相成分及含量的可行性和准确性,利用MPSM法计算了调整(Al+Ti)/Nb比值后析出相的成分、含量及分配量,解释了调整该比值对改型IN718合金高温稳定性影响的原因.     

Partitioning and site occupancy of Ta and Mo in Co-base γ/γ′ alloys studied by atom probe tomography

The detailed understanding of solute partitioning and site occupancies of these solutes within the ordered γ′ (L1₂) precipitates holds a key role in the development of cobalt-base γ/γ′ alloys with optimized properties. The present atom probe tomography study utilizes both structural and compositional information to determine the partitioning behavior of transition elements like Ta and Mo between γ matrix and γ′ precipitates and their site occupancy within the γ′ phase. The addition of Ta, which enhances the formation of γ′, to a ternary Co–Al–W alloy with stoichiometric Co₃(Al,W) precipitates, results in the substitution of only the W in the γ′ precipitates to form Co₃(Al, W, Ta) precipitates. Interestingly, Mo, typically considered a γ solid solution strengthener in nickel-base alloys, also partitions strongly to γ′ precipitates when added to the Co–Al–W alloy and displaces only the W atoms. The experimentally observed equal atomic substitution of W by both Ta and Mo, without any change in the Al content within the γ′ precipitates, gives insights into the energetics of relative site substitutions in this ordered compound.     

STRENGTH-DUCTILITY AND γ''PRECIPITATES IN Ni-BASE ALLOYS

ＳＴＲＥＮＧＴＨ－ＤＵＣＴＩＬＩＴＹＡＮＤγ＇ＰＲＥＣＩＰＩＴＡＴＥＳＩＮＮｉ－ＢＡＳＥＡＬＬＯＹＳ￥ＷＡＮＧＺｈｉｘｉｎｇ；ＸＩＥＳｈｉｓｈｕ；ＬＵＪｕｎｙｉｎｇ；ＷＡＮＧＬｅｉ；ＹＡＮＧＨｏｎｇｃａｉ（ＮｏｒｔｈｅａｓｔｅｒｎＵｎｉｖｅｒｓｉｔｙ...     

Mg_3MNi_2(M=Ti,Al)的晶体结构

Ａｌ和Ｔｉ对Ｍｇ２Ｎｉ结构中部分Ｍｇ的取代,得到与Ｍｇ２Ｎｉ晶体结构不同的新型合金．多晶Ｘ射线结构分析表明,其化学式为Ｍｇ３ＭＮｉ２（Ｍ＝Ｔｉ,Ａｌ）,立方晶系,空间群Ｆｄ３ｍ, Ｚ＝１６,４８个Ｍｇ坐落在４８（ｆ）,１６个 Ｍ（Ｍ＝Ａｌ, Ｔｉ）坐落在１６（ｄ）位,３２个Ｎｉ坐落在３２（ｅ）位,Ｍｇ３ＡｌＮｉ２的晶胞参数ａ＝１．１５４７４（２）ｎｍ, Ｍｇ３ＴｉＮｉ２的ａ＝１．１６１７８（２）ｎｍ．与Ｍｇ２Ｎｉ相比,Ｍｇ３ＭＮｉ２合金的晶体密度更大,Ｍｇ－Ｎｉ键长更长,吸放氢温度降低,循环寿命延长．     

单晶镍基合金在拉伸蠕变期间的组织演化与分析

通过[001]取向镍基单晶合金拉伸蠕变期间的组织形貌观察,采用应力应变有限元方法计算出立方γ/γ′两相共格界面的vonMises应力分布,研究了合金在蠕变期间γ′相的定向粗化规律。结果表明,施加拉应力可改变立方γ/γ′两相的应力分布,使不同晶面发生晶格收缩与扩张应变,其中,(001)晶面产生晶格收缩可排斥较大半径的Al、Ti原子,(100)和(010)晶面沿平行于应力轴方向产生晶格扩张应变,可诱捕较大半径的Al、Ti原子,是使其γ′相沿扩张晶格的法线定向生长成为类似筛网层状结构的组织演化规律。并进一步提出蠕变期间发生元素扩散和γ′相定向生长的驱动力。     

Mg,Ca,Y,La和Ce在Ni3Al中的合金化行为

利用Ｘ射线衍射法确定了合金元素Ｍｇ，Ｃａ，Ｙ，Ｌａ及Ｃｅ在Ｎｉ３Ａｌ中的合金化行为。结果表明，Ｍｇ，Ｃａ，Ｙ，Ｌａ及Ｃｅ原子占据Ｎｉ３Ａｌ中的Ａｌ位，并按以下顺序增加Ｎｉ３Ａｌ的有序度：Ｍｇ，Ｃａ，Ｙ和Ｌａ－Ｃｅ。随着合金元素含量的增加，Ｎｉ３Ａｌ的点阵常数亦按Ｍｇ，Ｃａ，Ｙ，Ｌａ－Ｃｅ的顺序呈线性增大。     

Al—Cu—Mg—Si系锻铝合金夹杂相的微观结构

利用Ｘ射线能谱分析和选区电子衍射技术对工业ＡｌＣｕＭｇＳｉ系锻铝合金中粗大夹杂物的成分和结构类型进行了研究     

压力对L1_2-Co_3(Al,W)化合物弹性性能与电子结构的影响

基于密度泛函理论,采用第一性原理赝势平面波方法计算了不同压力下L12-Co3(Al,W)化合物的弹性性质与电子结构。计算得到零压力下的点阵常数a0与实验值和理论值相符,计算结果表明:在0~45 GPa压力范围内,L12-Co3(Al,W)化合物的弹性常数Cij(C11、C12、C44)与压力满足三阶多项式关系,体模量B、剪切模量G、本征塑性、断裂韧性随压力的增强而增加;通过引入总化学键重叠布局数,定量的计算了金属间化合物的共价键性能,结果显示压力的增加会不断增强L12-Co3(Al,W)化合物中的共价键强度;电荷差分密度分析表明,随着压力的增加,W原子得到电子,Al原子失去电子,Co-Co、Co-W原子间电荷密度明显增强,表现出更强的键合作用。