PdnAum（m＋n≤4）对甲酸催化氧化活性的影响

通过密度泛函理论计算了单个甲酸分子吸附在团簇PdnAum（2≤m＋n≤4）上的构型,得到了其稳定构型．吸附能从0．698eV到0．999eV,其中两个位置的吸附较强,分别是羰基氧和羟基氧,而羰基氧上的吸附能量比较大,构型尤为稳定．还发现金的掺杂加强了钯金属团簇与甲酸的吸附,而以不同比例组合的合金的较稳定的吸附位置都是钯原子．在PdnAum（2≤m＋n≤4）合金与甲酸的吸附构型中,PdnAum的吸附能最大（0．999eV）,对甲酸表现出最强的化学活性．     

Phase-field simulation on microstructure evolution of D0_(19) phase in γ/γ′structure of Co–Al–W superalloys

The morphological evolution and precipitation kinetics of γ′ and D0_(19)(Co_3 W) phase in Co–Al–W alloys at 900 °C have been studied by applying Phase-field method and experiment in order to understand the transformation process of γ′ phase and D0_(19) phase. The growth processes of D0_(19) phase and precipitation of γ′ phase under elastic fields were simulated through coupling with thermodynamics and dynamics databases. The simulation results indicate that the misfit δ≥ 0.53% has a greater impact on γ′ particle morphology in γ/γ′ structure.Co–Al–W alloy with low Al and high W is one of the factors to promote the precipitation of D0_(19) phase. Three stages during aging, namely the γ′ phase incubation stage, the γ′ phase fast nucleation and growth stage, and the transformation from γ′ phase to D0_(19) phase stage can be observed with the non-constant coarsening rate that varying with the decrease of γ′ phase. The particle size distribution(PSD) during the precipitation of D0_(19) phase is more in line with MLSW theory than LSW theory. This simulation results are in good agreement with the experiment results to help analyze microstructure evolution of Co–Al–W alloy.     

含钛复合矿选择性提取制备钛合金

采用固体透氧膜（solid oxygen-ion membrane,SOM）熔盐电解法,对含钛复合矿直接脱氧并选择性提取钛合金.经过X-射线衍射（X-ray diffraction, XRD）、扫描电子显微镜（scanning electron microscope, SEM）和能量分数X-射线（energy dispersive X ray, EDX）分析,结果表明：从含钛高炉渣中可以直接提取出Ti5Si3合金粉末,并可有效去除金属杂质Ca,Mg,Al;从钛铁矿中可以直接提取出TiFex合金.最后,对电解脱氧过程进行讨论分析.     

AZ31镁合金微区电偶腐蚀的数值研究

结合水平集函数方法及移动网格技术,利用有限元法模拟分析了离散型β相分布和连续型β相分布的AZ31镁合金在NaCl溶液中的腐蚀行为,通过解Nernst-Planck方程得到腐蚀过程中AZ31镁合金/NaCl界面的电势、氯离子及镁离子浓度分布,并通过扫描离子选择性电极实验验证了此模拟方法的可行性.模拟分析表明,当β相离散分布在α相周边时,在与β相相邻的α相区域腐蚀速率最快,形成腐蚀缩颈坑,坑内氯离子富集,进一步加速了α相的腐蚀,最终β相逐渐脱离合金进入溶液;当β相连续分布在α相周边时,α相不断被腐蚀,最终α相全部溶解而只剩β相,求解随即停止.扫描离子选择性电极实验结果表明此模拟模型可以对镁合金的电化学腐蚀进行较好预测和判断.     

LC4表面纳米SiC和PTFE双颗粒复合阳极氧化膜的制备

以250g/L硫酸+15g/L草酸为基础电解液,通过添加2g/L表面改性的纳米SiC颗粒和15ml/LPTFE乳液,组成双颗粒复合阳极氧化电解液,利用脉冲电源在LC4铝合金表面制备双颗粒复合的阳极氧化膜.结果表明:在脉冲电源频率80Hz、占空比80%、电流密度3A/dm2、温度0℃、氧化时间40min等条件下,在LC4铝合金表面成功制备出厚度为20μm,硬度为4340MPa的双颗粒复合的Al2O3-SiC-PTFE阳极氧化膜;复合氧化膜结构中存在着大量的微米级的孔隙缺陷为复合沉积双颗粒提供了复合场所,形成了具有纳米SiC颗粒增强膜的硬度和PTFE颗粒增强膜的自润滑性能的双颗粒复合氧化膜.     

置氢Ti-6Al-4V合金组织演变与超塑性能

应用高温拉伸实验研究了氢对Ti-6Al-4V合金超塑变形行为的影响,借助于OM、SEM、TEM和XRD等分析手段,分析了氢对钛合金组织演变的影响. 结果表明:氢可促进合金中β相数量的增加,氢质量分数达到0.2%时合金出现马氏体组织,并随着氢含量的增加而逐渐粗化;适量的氢可以改善钛合金超塑变形行为,如降低流动应力和超塑变形温度、提高应变速率敏感指数m值;Ti-6Al-4V合金加入质量分数0.1%的氢,其峰值流动应力降低53%,变形温度降低约60℃,且由于氢的加入,使得超塑变形后的位错密度减少,说明氢促进了位错的运动.     

Cu基亚稳难混溶合金液-液相变

通过气体雾化技术研究了Cu100-XFeX (X=15, 20, 30和40)合金的凝固行为. 考虑少量相液滴形核、扩散长大、空间迁移、凝固界面与液滴间的相互作用以及体积分数等共同影响因素,建立了能描述该类合金凝固组织演变动力学模型. 将数学模型与雾化液滴飞行过程中运动、传热和传质的控制方程相耦合,给出了数值求解方法,模拟计算了Cu基亚稳难混溶合金液-液相分离过程. 结果表明:富Fe粒子的平均尺寸随着Fe含量的增加而增大;少量相液滴形核发生在基体熔体过饱和度峰值附近;随着冷却速度的增大,雾化液滴中少量相液滴的形核率增大,但平均半径减小;少量相液滴在Marangoni迁移和与固/液界面相互排斥共同作用下,向雾化液滴中心迁移,使雾化粉末最终形成壳型组织结构.     

Influence of Mg_5Ga_2 compound on microstructures and electrochemical properties of Mg-5%Hg-22%Ga alloy

The Mg-5%Hg-22%Ga(mole fraction) alloy was melted.Aging at 573-673 K for different times was carried out to ensure the fine dispersion of the Mg_5Ga_2 compound.Scanning electron microscopy(SEM),X-ray diffractometry(XRD) and energy spectrum analysis(ESA) were employed to characterize the microstructures and phases of the Mg-5%Hg-22%Ga alloy.The electrochemical and corrosion behaviors of the above alloy were studied by potentiodynamic,galvanostatic and electrochemical impedance spectroscopy(EIS) measuremen...     

Development of thermodynamic and kinetic databases in micro-soldering alloy systems and their applications

Recent progress in the development of thermodynamic and kinetic databases of micro-soldering alloys,which were constructed within the framework of the Thermo-Calc and DICTRA software,was presented.Especially,a thermodynamic tool, ADAMIS(alloy database for micro-solders) was developed by combining the thermodynamic databases of micro-solders with Pandat,a multi-component phase diagram calculation software program.ADAMIS contains 11 elements,namely,Ag,Al,Au,Bi,Cu, In,Ni,Sb,Sn,Zn and Pb,and can handle all c...     

Corrosion and electrochemical behavior of as-cast Mg-5Y-7Gd-1Nd-0.5Zr magnesium alloys in 5% NaCl aqueous solution

The corrosion mechanism of the as-cast Mg-5Y-7Gd-1Nd-0.5Zr magnesium alloy immersed in 5% NaCl aqueous solution was investigated by electrochemical test and SEM. The electrochemical results indicate that the corrosion resistance of Mg-5Y-7Gd-1Nd-0.5Zr alloy in 5% NaCl aqueous solution gradually deteriorates with immersion time increasing from 2 h, 24 h, 60 h, to 108 h, which is consistent with th e SEM observation of corrosion morphologies. The Cl^-anion leads to the initiation and development of the corrosion pits, and Mg-5Y-7Gd-1Nd-0.5Zr alloy exhibits filiform type of attack under significant anodic control of magnesium solution reaction. The corrosion potential becomes noble with increasing immersion time.