Atomic-scale computer simulation for early precipitation process of Ni75Al10V15 alloy

The kinetic model for a ternary system is introduced based on the microscopic diffusion form of the phase-field equations for a binary alloy. The equation is solved in the reciprocal space. This model is used to investigate the early precipitation process of Ni75-Al10V15 by simulating the atomic pictures of the two ordered phases and calculating the order parameters of γ′(Ni3Al) phase. Simulation results show that the γ′ ordered phases precipitate from the disordered matrix by a non-classical nucleation mechanism, and the nonstoichiometric γ′ ordered phase appears first and then transforms into the stoichiometric one. Clusters of V atoms appear at the γ′ phase boundaries followed by the formation of the nonstoichiometric θ ordered phase. The farther the location from γ′ phase boundary is, the lower the order degree of θ phase is. There exist two kinds of DO22 ordered domains: a horizontal one and a vertical one, related to their adjacent γ′ phase boundaries. The model could describe the atomic ordering and composition clustering simultaneously, and any a priori assumption about the new phase structure and precipitation mechanism etc. is unnecessary.     

Computer simulation for the precipitation process of Ni75Al7.5V17.5 alloy

The precipitation mechanism of Ni75Al7.5V17.5 alloy above the L12 instability line, between the L12 and D022 instability lines and below the D022 instability line are studied using microscopic phase-field kinetic equation. This paper is aimed at investigating the effect of temperature on precipitation mechanism and morphological evolution of the alloy. Our simulations demonstrate that the precipitation is a mixed mechanism of non-classical nucleation growth and spinodal decomposition above the L12 instability line. It needs certain thermal fluctuations for nucleation and the number of θ phases is small at this temperature. The precipitation mechanism of γ'phase is congruent ordering followed by spinodal decomposition, and θ phase is a mixed mechanism of non-classical nucleation growth and spinodal decomposition between the L12 and D022 instability lines. The mechanism below the D022 instability line is similar to that between the L12 and D022 instability lines. With the decrease of the temperature, ordering and phase separation becomes fast, the dimension of γ'phase becomes small, the shape transforms from equiaxed to block, the dimension of θ phase becomes large and the shape transforms from strip to circle.     

Effects of Ca on the distribution, structure and morphology of aluminum species in polyaluminum chloride

The flocculation efficiency of polyaluminum chloride (PAC) is closely related to the distribution and structure of its AI species, and Al13 is the optimal species in PAC for flocculation. A series of PAC containing Ca was prepared by adding Ca before and after the basifying reaction. The effects of Ca on the Al species were studied by ^27Al nuclear magnetic resonance (NMR) and atomic force microscope (AFM) techniques. The experimental results show that the introduction of Ca increases the content of Alm and Al13 in PAC and decreases their chemical shifts in NMR spectra due to the electric repulsion between the positive Ca species and AI species and the formation of AI-O-Ca complexes.With the rise of Ca/AI molar ratio, the AI species in PAC tend to scatter. It is observed that the formerly branch-aggregated clusters are tending to form granule-aggregated ones whose diameter gets smaller and smaller, and the floccule aggregates are formed at a higher Ca/Al molar ratio. The introduction of Ca to PAC, which increases the Al13 content, is certainly to enhance the flocculation efficiency of PAC in water treatment.     

多层喷射沉积制备耐热铝合金管坯热流分析(Ⅱ) --沉积过程热流分析

通过建立沉积阶段热流分析模型，对多层喷射沉积制备耐热铝合金管坯过程中喷射流沉积后的凝固和冷却进行了分析．喷射流沉积后与基体／沉积坯的传导热交换占热输出率的90％以上，在沉积过程中，沉积面的温度变化呈周期性的升降．计算结果表明，多层喷射沉积采用移动坩埚式扫描方式，延长了喷射流沉积时间间隔，喷射流沉积后可以获得10^3K／s以上的冷却速度。     

纳米Al2O3/PVAc复合材料的制备与表征

用硝酸铝和碳酸铵为原料,以聚乙二醇为分散剂,采用溶胶-凝胶法制备了纳米Al2O3溶胶.用液-液混合分散法将制得的纳米Al2O3溶胶分散于聚醋酸乙烯酯(PVAc)的丙酮溶液中,得到无色透明的纳米Al2O3/PVAc复合溶胶,将溶胶刮涂制膜,得无色透明的Al2O3/PVAc复合膜.用透射电子显微镜和拉曼光谱对复合材料进行了表征.激光粒度分析仪分析表明,Al2O3在PVAc粒径在30～35 nm范围内,平均密度31.2 nm、体积平均27.5 nm、数均25.3 nm .Zeta电位值为-42.5 mV.并对Al2O3/PVAc复合溶胶进行紫外吸收测试,结果显示,与纯PVAc溶液相比,最大吸收峰蓝移10.4 nm,且吸光度增加2.3倍.     

泡沫铝基高分子复合材料制备及其性能

为了提高泡沫铝基高分子复合材料的机械性能，通过向泡沫铝孔洞中浸渗入高分子材料的方法制备了四种泡沫铝基复合材料，并对其压缩、抗冲击和阻尼等性能进行了实验研究。实验结果与所预测的结果相一致，即制备的泡沫铝基高分子复合材料的如上三性能均较其复合相得以提高．研究结果既寻求到一种制备功能结构一体化材料的新途径，又有助于促进泡沫铝应用范围的扩展。     

稠密等离子体中类锂铝的原子结构研究

等离子体中原子结构的研究对于等离子体诊断和天文学观测有着非常重要的参考价值.本文采用MCDF方法结合离子球模型研究了稠密等离子体对类锂铝离子的能级和跃迁参量(跃迁能、跃迁几率和振子强度)的影响情况.随着等离子体屏蔽强度的不断增强,上述原子结构参量变化如下:1s22p (2 P_(1/2,3/2))的能级不断升高,但1s23s(2S1/2)、1s23p (2 P_(1/2,3/2))和1s23d(2 D3/2,5/2)的能级却不断降低;不同主量子数间的跃迁对应的跃迁参量均不断减小;除了1s23s(2S1/2)-1s23p(2P_(1/2,3/2))间的跃迁外,同一主量子数间的跃迁对应的跃迁参量均不断增大;1s23s(2S1/2)-1s23p(2P_(1/2,3/2))的跃迁参量均先增大后减小;在跃迁的精细结构中,ΔJ=1对应的跃迁几率和振子强度较大,而ΔJ=0的则相对较小.     

高铝熔渣物相析出演变规律研究

以改善高铝渣浸出性能为目标,采用DSC实验和SEM-EDS检测方法,研究了高铝渣控温冷却过程中物相析出规律,考察了降温速率、n(CaO)/n(Al₂O₃)和MgO含量对铝酸钙渣物相析出演变规律的影响.结果表明:当降温速率加快时,熔渣凝固过程趋于更大程度的偏析,C₂S相变愈不充分,粒度粗化,劣化了自粉行为和浸出条件;随着调高渣中n(CaO)/n(Al₂O₃),C₁₂A₇的析出温度升高,物相析出活性按照CA→C₁₂A₇→C₃A逐渐增强;当渣中含有MgO时,物相中出现C₂MS₂,不利于C₂S物相转变,更为重要的是MgO富集在含铝物相中形成Q相,显著恶化氧化铝浸出率和收得率.     

从沸腾炉渣中浸取有价金属

研究了从钢厂炉渣中回收有用金属的一种新方法。实验中，炉渣用硫酸浸取，浸取液采用EDTA络合滴定分析元素组成，颗粒粒径分布采用标准筛筛分，化学组成和微观结构分别采用XRF。结果表明，铝的最大提取率为86．20％，条件为：H2SO4浓度4mol·L^-1、固液比1：5条件下在80℃浸取24h。在同一条件下铁获得最大提取率为94．3％。     

层状Cu/ZnO/Al2O3催化剂的制备及其催化CO2加氢合成甲醇的性能

以尿素为沉淀剂, 采用均相沉淀法成功制备了层状Cu/Zn/Al 水滑石化合物. 将前驱体材料经焙烧、还原后得到Cu/ZnO/Al₂O₃ 催化剂, 并将其用于CO₂ 加氢合成甲醇反应. 采用X 射线衍射(X-ray diffraction, XRD)、热重(thermogravimetric, TG)分析、扫描电镜(scanning electron microscope, SEM)、X射线荧光(X-ray fluorescence, XRF)分析、N₂吸附、H₂ 程序升温还原(H₂-temperature program reduction, H₂-TPR)、氧化亚氮(N₂O)反应吸附、CO₂程序升温脱附(CO₂ temperature program desorption, CO₂-TPD)技术对所制备的样品进行表征. 结果表明, 相对于传统共沉淀法, 以尿素作为沉淀剂, 通过均相沉淀法所制备的前驱体的结晶度更高、催化剂比表面积更大、金属Cu 的分散度更好. 另外, 采用回流处理可以获得更好的效果. 活性评估结果表明, O₂转化率随金属Cu 比表面积的增大而增加, 而甲醇选择性则与催化剂表面碱性位的分布有关. 因此, 采用尿素回流处理均相沉淀法制备的Cu/ZnO/Al₂O₃催化剂的甲醇收率最高.