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.     

铁基非晶合金非晶形成能力的分子动力学模拟

采用分子动力学方法,模拟了Fe60 Cr20 Mo20和Fe50 Cr20 Mo20 M10（ M＝Ni, W）铁基非晶合金的形成过程,通过加热至熔融态再淬火的方法计算出了了Fe60 Cr20 Mo20、Fe50 Cr20 Mo20 M10和Fe50 Cr20 Mo20 W10三种合金形成非晶的临界冷速及一系列热力学参数。结果表明,三种合金形成非晶的临界冷速分别为15．7 K/ps、3．62 K/ps和1．04 K/ps,四元合金较三元合金形成非晶所需的临界冷速大大降低,而W元素的添加更能提高合金的非晶形成能力。另外,通过热力学参数分析,Fe50 Cr20 Mo20 W10合金的约化玻璃转变温度Trg较大为0．626,也说明其具有较好的非晶形成能力。     

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.     

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.     

Microstructure and hardness of Ni-xSi alloys

The microstructure and hardness of conventionally solidified Ni-xSi (x = 21.4%, 22%, 24%, 26%) alloys were investigated. The solidification microstructures of different Ni-Si alloys were observed by optical microscope (OM) and scanning electron microscope (SEM) and the phase composition was indentified under the help of energy dispersive X-ray (EDX) analysis. The macro- and micro-hardness of the Ni-Si alloys at room temperature were also examined. The experimental results indicated that both the microstructure and hardness closely depended on the Si content. Due to the vast formation of primary ??-Ni₃₁Si₁₂ phase, the hardness of Ni-26.0%Si alloy was significantly improved compared with that of Ni-21.4%Si eutectic alloy. However, the fracture toughness was greatly weakened simultaneously. The (?? ₁-Ni₃Si+??-Ni₃₁Si₁₂) lamellar eutectoid structure formed in the primary ??-Ni₃₁Si₁₂ phase exhibited better ductility than single ??-Ni₃₁Si₁₂ phase at the cost of relatively small hardness reduction.     

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.     

Ni／MH电池负极材料—贮氢合金的研究概况

简述了Ni/MH电池的原理和应用，对Ni/MH电池负极材料的基本类型及开发历史和发展现状进行了综合评述，AB5型合金的开发和应用已较为成熟，但其贮氢容量不高，AB2型合金与A2B型（Mg基）合金的贮氢容量较高，但AB2型合金活化困难，高倍率放电低于AB5型合金，尚未得到广泛应用，A2B型合金虽然成本低，但循环稳定性较差，循环寿命短，尚未实现实用化，V基固溶体型合金同样也存在循环寿命短的特点，AB23型合金由于具有较高的容量并易被活化引起越来越多的研究。     

Explore the possibility of forming fcc high entropy alloys in equal-atomic systems CoFeMnNiM and CoFeMnNiSmM

The multi-principal high-entropy alloys (HEAs) are promising new alloys. However, it is a challenge to screen out the suitable composition from the diverse combinations. Referring to the prototype AuCu₃ with AB₃-L1₂ structure, where it becomes a face-centered cubic (fcc) structure if element A and B are the same element, the site occupying tendencies of the elements and thermodynamic functions are predicted by using the sublattice model supported with first-principles total energy calculations. By considering the Gibbs energy of formation and the configurational entropy, the fcc HEAs in available literatures are examined, and the results of the quinary system with equal-atomic composition CoFeMnNiM and the hexbasic system with equal-atomic composition CoFeMnNiSmM are reported, respectively, where the element M is selected from the rest of the periodical table. When M=Cr, Zn, Ru, Rh, Pd, Re, Os, Ir, or Pt in the quinary systems CoFeMnNiM and when M=Ru, Pd, or Pt in the hexbasic systems CoFeMnNiSmM, respectively, the alloys are recommended to be potential fcc HEAs. The new approach opens a new way to mine the rich ores of HEAs.     

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.     

Novel material of hydrogen generation

A novel aluminum alloy which could react with water and generate hydrogen at room temperature was prepared via mechanical alloying (MA). The results shows that milling time, additives and mass ratio have a significant role in the hydrogen production rate. The highest hydrogen production rate of alloys reaches 95% of theoretical value. The velocity of hydrogen generation reaches more over 200 mL/min for a gram alloy. Active materials (Ga and In) included in the aluminum alloys can be recycled and used repeatedly. The hydrolysis reaction between aluminum and H₂O will take place and release a large amount of heat, which contributes to increasing the velocity of hydrogen generation. The reaction products consist of AlO(OH) and hydrogen.     

Impacts of CaO Solid Particles in Carbon Dioxide Absorption Process from Ship Emission with NaOH Solution

CO₂ emitted from ship exhaust is one of the major sources of atmospheric pollution. In order to reduce ship CO₂ emissions, this paper comes up with the idea of recovering CO₂ from ship exhaust by NaOH solution and improves the absorption rate by adding CaO solid particles. The effect mechanism of CaO solid particles on CO₂ absorption efficiency is analyzed in detail, and the mathematical model is deduced and the CaO enhancement factor is calculated through experiments. Experiment result demonstrates that the effect of CaO solid particles on the absorption of CO₂ in alkali solution is significant. The absorption rate of pure CO₂ gas, the simulated ship exhaust gas and 6135AZG marine diesel engine emission can be increased by 10%, 15.85% and 10.30%, respectively. So it can be seen that CaO solid particles play an important role in improving the absorption efficiency of ship CO₂ emission.     

Fe-Mn-Si合金在H_2SO_4溶液中的耐蚀性

通过电化学测量方法研究Fe-Mn-Si合金在H2SO4水溶液中的腐蚀行为.结果表明,Fe-Mn-Si合金在打磨过程中发生了应变诱发ε-马氏体转变,其表层结构为奥氏体和ε-马氏体.Fe-Mn合金的自腐蚀电流密度比Fe-Mn-Si合金低1个数量级.Fe-Mn-Si合金在0.1M H2SO4溶液中的腐蚀速度较快,这是因为ε-马氏体和奥氏体相间的电极电位不同,表面发生全面腐蚀.     

ZA27高阻尼合金的阻尼特性及微观机理的研究

研究了经过稀土、Ti变质处理和固溶自然时效处理的ZA27合金的阻尼特性,探讨了其阻尼机理,分析了变质处理及固溶自然时效处理对提高合金阻尼性能的作用。与铸态合金比较,经过变质、固溶自然时效处理后的合金,其阻尼性能有明显提高。阻尼性能提高是由于组织细化、界面增多以及位错增殖所致。     

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.     

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%.     

TiO2-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TiO2-CNTs/FeNi36复合涂层,研究了核壳式TiO2-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TiO2-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[...     

Scale-invariant occupancy of phase space and additivity of nonextensive entropy <Emphasis Type="Italic">S</Emphasis><Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>

Phase space can be constructed for N equal and distinguishable binary subsystems which are correlated in a scale-invariant manner. In the paper, correlation coefficient and reduced probability are introduced to characterize the scale-invariant correlated binary subsystems. Probabilistic sets for the correlated binary subsystems satisfy Leibnitz triangle rule in the sense that the marginal probabilities of N-system are equal to the joint probabilities of the (N −1)-system. For entropic index q ≠ 1, nonextensive entropy S _q is shown to be additive in the scale-invariant occupation of phase space.     

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.     

Modeling, identification and simulation of DC resistance spot welding process for aluminum alloy 5182

Currently the aluminum alloy resistance spot welding(AA-RSW) has been extensively used for light weight automotive body-in-white manufacturing.However the aluminum alloys such as AA5182 have inferior weldability for forming the joint due to their high reflectiveness to heat and light.Therefore it is necessary to further develop the high performance control strategy and the set-up of a new welding schedule.The welding process identification is the essential issue where the difficulty arises from the fact that the AA-RSW is a nonlinear time-varying uncertain process which couples the thermal,electrical,mechanical and metallurgical dynamics.To understand this complicated physical phenomenon a novel dual-phase M-series pseudo-random electrical pattern is adopted to excite the AA-RSW electrical-thermal process and the thermal response is recorded according to the welding power outputs.Based on the experimental information,the transfer function of an AA-RSW electrical- thermal mechanism is identified,and the optimum model order and parameters are determined.Subsequently a control-oriented DC AA-RSW model is established to explore the welding power control algorithm.The simulated results of the control model show agreement with the experimental data,which validates its feasibility for the corresponding welding control.     

Improvement the electrochemical performance of Li1.2Ni0.2Mn0.6O2 electrode with AlF3 added

Layered solid solution material Li_1.2Ni_0.2Mn_0.6O₂ is synthesized and the AlF₃ is added to improve the electrochemical performance. X-ray diffraction (XRD) results show that the Li_1.2Ni_0.2Mn_0.6O₂ samples exhibit layered characteristics. The AlF₃ additive is detected by transmission electron microscope (TEM) technology. The electrochemical tests show that Li_1.2Ni_0.2Mn_0.6O₂ electrode with AlF₃ added delivers better discharge capacity (240mA· h/g), first coulomb efficiency 79.2%, cyclic performance (capacity retention ratio of 100.6% after 50 cycles), and rate capacity (68mA · h/g at 10 capacity (C)) than the pristine sample. Electrochemical impedance spectroscopy (EIS) results show that the charge transfer resistance of Li_1.2Ni_0.2Mn_0.6O₂ electrode with AlF₃ added increases slower than that of pristine Li_1.2Ni_0.2Mn_0.6O₂ after cycling, which is responsible for better cyclic and rate performance.