First-principle investigation of the structural stability and electronic property of precipitates on the Cu-rich side of Cu-Ni-Si alloys

The energetic and electronic structures of precipitates on the Cu-rich side of Cu-Ni-Si alloys were investigated by using the first-principle calculations based on plane-wave pseudopotential method. The negative formation heats and the cohesive energies of these precipitates were estimated with electronic structure calculations, and their structural stability was also analyzed. The results show that δ-Ni₂Si, γ-Ni₅Si₂ and β-Ni₃Si precipitates all have great alloying ability and structural stability, which, after comparing their density of states (DOS), is found attributed to the pseudogap effect near the Fermi level (E _F) and strong hybridization between the Ni-3d and Si-3p states. Compared with the other two precipitates, the δ-Ni₂Si precipitate has the greatest structural stability, which is resulted from its lower DOS at E _F and the main bonding peaks slightly moving to the low energy region.     

Improvements of elevated temperature strength and creep resistance of Mg-12Zn-4Al based alloy with calcium addition

A series of Mg-12Zn-4Al-0.3Mn (ZA124) based alloys with additions of calcium have been prepared and their microstructure and properties have been investigated. The results show that Mg-12Zn-4Al-0.3Mn alloy consists of the ??-Mg matrix and block quasicrystal and exhibits excellent creep resistance compared to commonly used AZ91 alloy. A small amount of calcium addition to the ZA124 based alloys increased the yield strenghth at both ambient and elevated temperatures as well as creep resistance, although the ductility decreased slightly. Microanalysis indicated that the addition of calcium decreased the quasicrystalline phase and caused the formation of some lamellar precipitates of Al₂Mg₅Zn₂ with orthorhombic crystal structure. This Ca-containing Al₂Mg₅Zn₂ phase with high stability straddled the grain boundaries and strengthened grain boundaries by inhibiting crack propagation during creep tests at elevated temperature.     

Grain refining mechanism of carbon inoculation on Mg-Al alloy

The processing parameters and refining mechanism of Mg-Al alloy treated with a newly developed carbon inoculant under different conditions were investigated experimentally in this work. Results show that the finest ??-Mg grain in AZ91D alloy can be obtained after processing at about 740°C, and the average grain size of ??-Mg grain decreases from about 180.4 to 85.6 ??m by adding mass fraction w _in = 1% inoculant into melt. However, no evident refinement was achieved with excessive inoculant for Mn-free Mg-9Al alloy. Scanning electron microscope (SEM) photo, energy dispersive spectroscopy (EDS) analysis on the Mn-contained intermediate phase and differential scanning calorimetry (DSC) results indicate that Mn element plays an important role in the heterogeneous nucleation of ??-Mg grain. In the early stage of solidification, Al-Mn-C compound particles formed on the surface of Al₄C₃ nano-particles should be the potential nuclei for primary ??-Mg and probably responsible for the grain refinement achieved in the carbon inoculation process.     

Microstructure of hot-dip galvanized Zn-Al-Mg alloy coating

The microstructure of hot-dip galvanized Zn-11%Al-3%Mg-0.2%Si alloy coating was studied in this article. X-ray diffraction analysis revealed the coating is composed by Zn, Al and MgZn₂ phase. Optical microscope (OM) and scanning electron microscope (SEM) observations showed the coating is occupied by snowflake-like dendrite, double hexagonal organization and eutectic. The coating backbone was the dendrite considered to be a phase of hexagonal close-packed (HCP) structure judging form its morphology according to the crystal growth way in the coating. Transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS) researches on the dendrite suggested that an intermediate Zn-Al phase was formed at high temperature, then decomposed into a type of Zn-Al granular eutectoid after cooling down to room temperature, while the eutectoid Zn and Al had a certain crystallographic relationship. The coating solidification process and the grain crystal structure were discussed.     

TiO_2-CNTs/FeNi36激光熔覆复合涂层制备研究

采用激光熔覆技术制备了TiO_2-CNTs/FeNi36复合涂层,研究了核壳式TiO_2-CNTs增强体对激光熔覆复合涂层孔洞、微观结构和摩擦学性能的影响。结果表明:核壳式TiO_2-CNTs增强体的加入大大减小了复合涂层中孔洞数量和尺寸,有效抑制了涂层大孔洞的产生;增强体的加入没有改变因瓦合金基体物相组成,基体合金仍为[FeNi]奥氏体单相。随着增强体含量的增加,复合涂层基体合金的晶格常数逐渐减小,然后保持稳定;复合涂层维氏硬度逐渐增加,然后趋向稳定,最大值为315 HV,约为单一因瓦合金涂层的2.5倍;当增强体含量为1.5 wt%,磨损率最低,较单一因瓦合金涂层降低了60%,复合涂层摩擦学性能得到了提高。     

Calculation on the solid solution forming enthalpies of Re-Mo-Ti gradient alloy in thermodynamics

The idea about preparation of Re-Mo-Ti alloy is put forward because of applications of Re and Mo-Re alloys in aerospace. Basing on the thermodynamics theory, the feasibility of developing a new high temperature alloy Re-Mo-Ti is investigated. The solid solution forming enthalpies of binary alloys Re-Ti, Mo-Ti and Mo-Re are calculated with the Miedema thermodynamics theory. The Miedema theory of binary alloy can be used in ternary alloy through Kohler model or Toop model. The calculated results show that the forming enthalpies of binary alloys Re-Ti, Ti-Mo and Re-Mo are negative, which indicates that binary alloys Re-Ti, Ti-Mo and Re-Mo can form solid solution in wider component area. The forming enthalpies of Re-Mo-Ti ternary alloy are still negative and smaller than those of binary alloys Re-Ti, Ti-Mo or Re-Mo, which indicates it is possible to form large solid solution graph area among ternary alloys of Ti, Mo, Re elements. It is feasible to develop a new high temperature material in thermodynamics, in this material Re-Mo-Ti solid solution as base phase, and the Ti₅Re₂₄ intermetallic compounds or interphase ω (Ti₄Mo₃) as strengthening phase.     

Effect of Cu Co-doping on the magnetism of Zn0.95Co0.05O films

Zn_0.95?x Co_0.05Cu _x O (atomic ratio, x = 0?C8%) thin films are fabricated on Si(111) substrate by reactive magnetron sputtering method. Detailed characterizations indicate that the doped Cu ions substitute the Zn²⁺ ions in ZnO lattice. The doped Cu ions are in +1 and +2 mixture valent state. The ferromagnetism of the Zn_0.95?x Co_0.05Cu _x O film increases gradually with the increase of the Cu⁺ ion concentration till x = 6%, but decreases for higher Cu concentration. Experimental results indicate that the increase of ferromagnetism is not owing to the magnetic contribution of Cu⁺ ions themselves, but owing to the enhancement of magnetic interaction between Co²⁺ ions, which suggests that p-type doping of Cu⁺ ions plays an important role in mediating the ferromagnetic coupling between Co ions.     

Effect of La addition on electrochemical properties of amorphous LaMg11Zr+200Ni alloy

The effect of La addition on the structure and electrochemical properties of amorphous LaMg₁₁Zr+200Ni (LaMg₁₁Zr: Ni = 1: 2, m: m) hydrogen storage alloy prepared by mechanical alloying was investigated systematically. The results show that the alloys have an amorphous structure after 20 h ball-milling and the particles are significantly refined with the addition of La. The electrochemical tests indicate that the charging resistance of the alloy electrodes decreases with the addition of La. The maximum discharge capacity of the alloy electrodes increases with the increase of La addition, while the cyclic stability and high-rate discharge performance increase firstly and then decrease as the La content increases. When the mass fraction of La is up to 5%, the maximum discharge capacity after charging/discharging of 30 cycles of the alloy electrode is increased from 576.2 to 597.5 mA· h/g, and the capacity retention rate and high-rate dischargeability (HRD) of the alloy electrode are increased by 20.5% and 29.4% respectively compared with those of the alloy electrode without the La addition, exhibiting the best comprehensive electrochemical performances.     

Monte Carlo simulation of B2-L2<Subscript>1</Subscript> ordering transitions in Au-Cu-Al alloy systems

The B2-L2₁ ordering transitions in Au-Cu-Al shape-memory alloys are studied by the Monte Carlo exchange simulations, where a set of the first, the second and the third nearest-neighbor mixing potentials for Cu-Al in the Au-Cu-Al alloys are calculated from first principals using the Connolly-Williams methods. To ensure the phase stability of the β-Au-Cu-Al, the investigation includes the range of compositions Au₂Cu_1−x Al_1+x (−0.15 ⩽ x ⩽ 0.15). The B2-L2₁ transition temperatures are predicted, and are in agreement with the experimental results. The atomic ordering around vacancy of the L2₁ structure is further discussed.     

60Si2Mn钢制六角螺母冲头强韧化热处理的研究

用光学显微镜,硬度计和透射电子显微镜研究了淬火加热温度,回火温度和回火时问对60Si2Mn 钢的显微组织、硬度和亚结构的影响;对60Si2Mn 钢制六角螺母冲头进行了寿命试验;采用模拟理想冷却曲线设计的方便易行、节能省时的强韧化热处理,可显著提高冲头的使用寿命.     

Microscopic structure and property of double-electrode gas metal arc welding of AZ31B magnesium alloy

This paper focuses on the research on double-electrode gas metal arc welding(DE-GMAW) of AZ31 B magnesium alloy sheet with 2 mm thickness. During the welding process, stable hybrid arc of metal inert gas(MIG) and tungsten inert gas(TIG) is employed as welding heat source. Optical and electron microscopes are used to observe the microstructures of the weld joint. X-ray diffraction(XRD) and energy dispersive spectroscopy(EDS) are employed to identify the components in fusion zone. Microhardness is also tested. When the MIG current is 80 A, the perfect weld joint is obtained, though figures of fish scales are observed in all joints in the research. The fusion zone is formed by dendrites, where β-Mg17(Al, Zn)12is dispersed. The hardness in fusion zone and heat affected zone(HAZ) is lower than that in base metal(BM). The average Vickers hardness of fusion zone and HAZ is about 58 and 56 respectively, while the Vickers hardness of BM is about 63.     

First-principles prediction of ductility in β-type Ti-Mo binary alloys

Recent studies suggest that the ratio of the shear modulus (G) to the bulk modulus (B) and the Poisson’s ratio (ν) are good indicators of ductility. Using the method of supercell and the first-principles pseudopotential plane-wave method, the G/B and ν of the β-type Ti-Mo binary alloys with Mo molar fraction (x _Mo) ranging from 6.25% to 37.5% are calculated. The results show that the ductility of β-type Ti-Mo binary alloys first increases with increasing x _Mo and reaches the maximum when x _Mo is about 25%, and then reduces with more increasing x _Mo. The charge density difference calculations suggest that the x _Mo dependence of the ductility can be ascribed to the change of bonding characteristics between Ti and Mo atoms in the [111] direction.     

AZ31B镁合金电子束焊接接头显微组织及疲劳性能

为了改善镁合金焊接接头的微观组织及其力学性能,采用真空电子束焊接工艺对厚10 mm的AZ31B镁合金板材进行焊接,分析电子束对接接头的显微组织、元素分布和物相组成,检测了电子束对接接头静载拉伸性能和疲劳性能.试验结果表明AZ31B镁合金电子束焊接接头的微观组织和力学性能均得到了改善:焊缝区晶粒明显细化,焊缝区Mg、Zn元素的质量分数分别降低了0.12%和0.28%,Al、Mn元素的质量分数分别增加了0.24%、0.14%,焊缝区为单相α-Mg,无明显的低熔点β-Mg17Al12脆性;焊接接头的抗拉强度为242 MPa,能够达到母材的抗拉强度;在脉动载荷（R=0.1）、2×106循环次数下,其接头的疲劳强度为91 MPa,能达到母材的78.4%.      

Thermodynamic analyse on equilibrium precipitation phases and composition design of Al-Zn-Mg-Cu alloys

The solidification paths of Al-Zn-Mg-Cu alloys and its precipitation behavior are analyzed using software package JMatPro 6.0 for material property simulation of Al-base alloys. The microstructures of the experimental alloys are analyzed; the experimental results of microstructural analysis are in agreement with the thermodynamic prediction. Through orthogonal experimental method, this paper designs the composition of Al-Zn-Mg-Cu alloys by studying the variation of ?? (MgZn₂) phase, S (Al₂CuMg) phase, T (AlZnMgCu) phase amount and precipitation temperatures with different Zn, Mg and Cu contents. It is found that with the optimum mass fraction of Zn of 6.7%, Mg of 2.2%?C2.5% and Cu of 1.6%?C2.0%, the mass fraction of ?? phase can be up to 8.7%?C9.22% and that of S phase and T phase can be lower than 0.5%.     

Hydrogen adsorption by woodceramics produced from biomass

Hydrogen adsorption characteristics of woodceramics, made from radiata pine wood fiber boards carbonized at 1 473K after impregnation with phenolic resin, with and without chemical treatment in an alkaline (KOH) or an acid (H₂SO₄) solution were investigated The hydrogen adsorption capacity is improved by chemical treatment. The chemical treatment by KOH improves the adsorption capacity more than by H₂SO₄. The improvement of the capacity level, in any solution, is dependent on the type of chemical in the solution and its concentration. The maximum hydrogen capacity measured at 93K is mass fraction about w(H) = 2% for the woodceramics after chemical treatment in a volume fraction ?? = 50% KOH solution, although that is about w(H) = 0.7% for one without chemical treatment. The microscopic condition of pores in the woodceramics is thought to vary after chemical treatment.     

Direct electrochemical extraction of Ti5Si3 from Ti/Si-containing metal oxide compounds in molten CaCl2

Direct electrochemical extraction of Ti₅Si₃ from pressed cathode pellets comprising of powdered Ti/Sicontaining metal oxide compounds was investigated by using molten salt electro-deoxidation technology.Three groups of mixtures including TiO₂ mixed with SiO₂,Ti-bearing blast furnace slag（TBFS） mixed with TiO₂, and TBFS mixed with high-titanium slag（HTS） were prepared at the same stoichiometric ratio（Ti:Si=5:3） corresponding to the target composition of Ti₅Si₃,and used as the starting materials in this experiment,respectively. The pressed porous cylindrical pellet of the Ti/Si-containing compounds served as a cathode,and two different anode systems,i.e.,the inert solid oxide oxygen-ion-conducting membrane（SOM） based anode system and graphite-based anode system were used contrastively.The electrochemical experiment was carried out at 900-1050℃and 3.0-4.0 V in molten CaCl₂ electrolyte.The results show that the oxide components were electro-deoxidized effectively and Ti₅Si₃ could be directly extracted from these complex Ti/Si-containing metal oxide compounds.     

Al-27Zn合金固溶时效后硬度及耐磨性研究

研究了两种Al-27Zn合金经425℃×8h固溶及125℃时效处理后组织结构、硬度和耐磨性的变化规律.结果表明,经时效处理后合金的组织形态为：Al基体上均匀分布着少量未溶树枝状晶组织以及大量细小弥散富锌的η相;合金的硬度随着时效时间的延长先升后降,合金元素Cu、Mg的加入提高了Al-27Zn的硬度;两种合金均具有良好的耐磨性,但合金元素Cu、Mg的加入降低了耐磨性;探讨了磨损机制及材料组织、硬度对合金耐磨性的影响.     

Electronic structures and magneto-transport properties of co-based Heusler alloy based magneto-resistance junctions

A direct link between band structure and the ballistic transport property of full-Heusler alloys based Co₂ YZ/Al/Co₂ YZ trilayers (Y = Sc, Ti, V, Cr, Mn and Fe; Z = Al, Si and Ge) has been studied by firstprinciples calculations. It is found that the transport efficiency is determined primarily by three factors related to band structure: the shape of the band crossing Fermi energy E _F, the distance d of the two intersection points of Co₂ YZ and Al at E _F, and the absolute maximum of the energy lying in the E _F-crossing band, |E_max|. The transmission coefficient distribution patterns imply that the affected factor of magneto-resistance (MR) ratio is attributed to the band features around E _F. In general, an intuitively illustrated diagram is proposed to clarify the relationship between the probability of electron transition and the current magnitude.     

镁合金AZ31的差热分析及凝固组织观察

利用差热分析（DTA）和在不同温度下加热-急冷,并结合金相组织观察的方法研究了AZ31镁合金的凝固相变温度及凝固组织变化特征．通过对AZ31镁合金DTA曲线的分析和不同温度下金相组织的比较、分析,确定了该合金的相变起始温度为430．1℃,共晶温度为438．5℃,固相线温度为614．4℃,液相线温度为636．4℃．同时,通过对不同温度下急冷试样的组织观察,分析了AZ31镁合金在凝固过程中的相变及组织演变特征,并确定了差热分析所得相变温度的准确性．