采用元胞自动机法模拟二元规则共晶生长

基于元胞自动机方法,建立了二元规则共晶生长的数值模拟模型.该模型耦合宏观温度场,考虑了溶质扩散、成分过冷以及曲率过冷等重要因素,实现了二元规则共晶的稳态层片生长.以共晶模型合金为对象,研究了定向凝固条件下不同过冷度、初始层片间距、温度梯度及凝固速率对共晶两相生长形貌及层片间距的影响,再现了两相在溶质扩散及界面能的相互作用下通过形核、分岔、湮没及合并等机理实现共晶层片间距的调整.模拟得到的结果与Jackson-Hunt模型及前人实验结果规律一致.将模型扩展到三维系统,验证了二元规则共晶生长三维模拟的可行性. 关键词： 规则共晶 生长形貌 层片间距 CA方法     

抽拉速度对SCN-DC共晶生长形貌的影响

本文采用类金属透明模型合金丁二腈-23.6 wt%樟脑 (SCN-23.6 wt%DC) 合金, 研究了棒状共晶定向凝固组织的演化行为, 考察了抽拉速度对棒状共晶合金组织形貌演化的影响规律. 结果表明, 在共晶生长初期, 共晶组织首先起源于晶粒晶界或者试样盒型壁处, 随后沿液/固界面和平行于热流方向生长; 在较小的抽拉速度 (0.064–0.44 μm/s)下, 棒状共晶界面前沿呈现平界面形态, 内部两相棒状组织平行生长, 并且随着抽拉速度的增大,棒状共晶逐渐细化, 棒状间距减小; 而在较大的抽拉速度 (0.67–1.56 μm/s)下, 共晶界面前沿呈现胞状生长形貌, 胞内的棒状共晶呈放射状生长, 同样, 随着抽拉速度的增大, 胞内棒状共晶逐渐细化, 棒状间距减小. 关键词： 定向凝固 共晶形貌 抽拉速度 共晶间距     

三维多相场数值模拟共晶CBr4-C2Cl6合金在不同抽拉速度下的形态选择

利用KKSO多相场模型对定向凝固共晶CBr₄-C₂Cl₆合金的三维恒速及变速生长过程进行了研究,再现了不同抽拉速度下共晶形态演化及选择过程,建立了形态选择图,研究了变速过程的界面平均生长速度及界面平均过冷度的变化.结果表明,变速前后的形态选择与恒速下的形态选择一致;变速过程的形态演变、界面平均生长速度和界面平均过冷度的变化均产生滞后效应;界面平均生长速度和界面平均过冷度之间的关系与理论结果符合较好. 关键词： 多相场模型 共晶生长 抽拉速度     

对流作用下枝晶形貌演化的数值模拟和实验研究

合金凝固过程中存在于枝晶尖端液相区的强制对流和自然对流均能改变溶质扩散层厚度,从而会对枝晶形貌产生较大影响.在元胞自动机模型基础上,耦合液体流动方程、热传导方程和溶质对流扩散方程,建立了新的计算微观组织演化的数值模型,并利用该模型研究了强制对流和自然对流对枝晶生长的影响.三维数值模拟结果再现了强制对流作用下等轴枝晶的生长过程,揭示了强制对流对枝晶生长速率和尖端半径的影响特点.同时利用该模型模拟了NH₄Cl-H₂O溶液定向凝固过程中自然对流对柱状晶生长的影响,并采用相应的实验进行验证.模拟结果与实验结果符合良好,从而证明该模型是可靠的,可推广到实际合金系中. 关键词： 元胞自动机 对流 4Cl-H₂O溶液')" href="#">NH₄Cl-H₂O溶液 定向凝固     

弱熔体对流对定向凝固中棒状共晶生长的影响

利用渐近方法求出在弱对流熔体中定向凝固棒状共晶生长的浓度场的渐近解,研究了弱熔体对流对定向凝固中棒状共晶生长的影响.结果表明,弱熔体对流对定向凝固中棒状共晶生长有显著的作用;平均界面过冷度不仅与棒状共晶的棒间距、生长速度有关,还与流动强度有关;当生长速度一定时,随着流动强度增大,棒状共晶的平均界面过冷度减小.利用最小过冷原则,获得棒间距与生长速度和流动强度的关系.结果表明,当生长速度比较小时,随着流动强度增大,棒状共晶的棒间距增大;当生长速度比较大时,随着流动强度增大,棒状共晶的棒间距变化减弱;棒状共晶的生长速度越小,流动对棒状共晶生长的影响越大.利用本文的解析结果计算在对流条件下Al-Cu共晶的棒间距,结果显示随着转速增大或径向距离增大,共晶的间距增大,这与Junze等的实验结果相符合.     

二元合金高速定向凝固过程的相场法数值模拟

利用相场法对二元合金高速定向凝固过程进行了模拟，为简化计算，采用了温度冻结近似.模拟了定向凝固时平界面失稳、界面形态演化、溶质浓度分布以及高速绝对稳定性条件下胞晶向平面晶的转变等，得到了不同抽拉速度下胞晶间距、胞晶尖端温度以及有效溶质分配系数等参数，显示了高速生长条件下的溶质截留效应. 关键词： 定向凝固 相场法 高速绝对稳定性 溶质截留     

急冷条件下NiAl-Mo三元共晶合金的组织形成机制

采用单辊急冷技术实现了NiAl-Mo三元两相共晶合金的快速凝固, 同时与常规条件下的凝固组织进行了对比研究. 实验发现, 单辊急冷的合金条带与常规条件的凝固样品均由B2结构的NiAl金属间化合物和bcc结构的Mo固溶体两相组成, 两相均具有(110)晶面优先生长的趋势, 并呈现出(110)NiAl//(110)Mo取向关系. 常规条件下得到的微观结构主要由规则的两相共晶组织组成, 形成了类似菊花状的共晶胞. 而单辊急冷条件下形成的组织结构主要是由近辊面的柱状晶区和近自由面的等轴晶区组成的凝固组织. 理论计算发现, 合金熔体的单辊辊速由10 m/s增大至50 m/s后, 其冷却速率从1.01×10⁷ K/s逐渐增大到2.46×10⁷ K/s, 冷却速率明显高于常规铸造过程, 因而形成了差别很大的凝固组织. 随着辊速(冷却速率)的增加, 合金条带的厚度从54.4 μm减小至22 μm, 近辊面柱状晶区的厚度所占比例也逐渐增大, 晶粒发生了明显细化. 关键词： 快速凝固 三元共晶 共晶转变 冷却速率     

快速凝固Ti-Cu-Fe合金的相组成与组织演变规律

采用落管无容器处理技术实现了Ti_61.2Cu_32.5Fe_6.3三元包共晶合金在自由落体条件下的快速凝固,获得了直径为80—1120μm液滴的凝固组织.实验中获得的过冷度范围为34—293 K,最大过冷度达0.23T_L.研究发现,在自由落体条件下,由于受到无容器、微重力、超高真空等因素的影响,合金熔体的凝固组织中包含Cu_0.8Fe_0.2Ti相、CuTi₂相和CuT₃相,显著偏离了平衡状态.Cu_0.8Fe_0.2Ti为初生相,同时又与CuTi₂相形成两相共晶;CuTi₃相则呈现枝晶形貌,并发生了明显的溶质截留效应.随着过冷度的增大,共晶组织由层片共晶向不规则共晶转变,形貌由长条状共晶团变为椭球状共晶团,最终变为球状共晶胞;Cu_0.8Fe_0.2Ti相枝晶形貌由粗大枝晶变为碎断枝晶,进一步变成不规则的粒状晶粒;CuTi₃相枝晶则由碎块状转变为完整枝晶.     

凝固前沿和气泡相互作用的大密度比格子玻尔兹曼方法模拟

建立了二维双组分两相流的大密度比格子玻尔兹曼方法 (lattice Boltzmann method, LBM)模型. 该模型基于改进的Shan-Chen伪势多相流LBM模型, 结合采用不同时间步长的方法, 实现密度比达800以上的气液两相流模拟. 为了对模型进行验证, 模拟了在不同气液相互作用系数和密度比条件下气泡内外压力差与其半径之间的关系, 其结果满足Laplace定律. 将所建立的大密度比LBM与介观尺度的元胞自动机(cellular automaton, CA)和有限差分法(FDM)相耦合, 用LBM模拟气液两相流, 用CA方法模拟固相生长, 用有限差分法模拟温度场, 采用LBM-CA-FDM耦合模型对定向凝固过程中凝固前沿的气泡与液-固界面之间的相互作用进行模拟研究. 结果表明, 绝热气泡的存在影响了温度场分布, 使得凝固前沿接近气泡时, 液-固界面凸起, 在不同的固相生长速度条件下, 出现凝固前沿淹没气泡或气泡脱离凝固前沿的不同情况, 模拟结果与实验结果符合良好. 关键词： 格子玻尔兹曼方法 元胞自动机 凝固 气泡     

各向异性表面张力对定向凝固中深胞晶生长的影响

利用匹配渐近展开法和多变量展开法求出定向凝固深胞晶生长的浓度场和界面形态的全局渐近解,研究各向异性表面张力对定向凝固深胞晶生长的影响.结果表明,各向异性表面张力对定向凝固过程深胞晶生长有显著的影响.随着各向异性表面张力增大,胞晶前端部分浓度减小而胞晶界面收缩;胞晶根部的浓度增大而界面曲率增大或根部的曲率半径减小,各向异性表面张力使得深胞晶界面振幅增加.本文结果能够计算定向凝固过程中深胞晶生长的浓度、界面形态.     

Ternary eutectic growth of Ag-Cu-Sb alloy within ultrasonic field

The liquid to solid transformation of ternary Ag42.4Cu21.6Sb36 eutectic alloy was accomplished in an ultrasonic field with a frequency of 35 kHz, and the growth mechanism of this ternary eutectic was examined. Theoretical calculations predict that the sound intensity in the liquid phase at the solidification interface increases gradually as the interface moves up from the sample bottom to its top. The growth mode of (ε θ Sb) ternary eutectic exhibits a transition of "divorced eutectic- mixture of anomalous and regular structures-regular eutectic" along the sample axis due to the inhomogeneity of sound field distribution. In the top zone with the highest sound intensity, the cavitation effect promotes the three eutectic phases to nucleate independently, while the acoustic streaming efficiently suppresses the coupled growth of eutectic phases. In the meantime, the ultrasonic field accelerates the solute transportation at the solid-liquid interface, which reduces the solute solubility of eutectic phases.     

Nucleation behaviour and anomalous eutectic formation in highly undercooled Fe2O3-La2O3 eutectic melts

Employing an aero-acoustic levitator, the Fe₂O₃-16.5 mol% La₂O₃ eutectic alloy was levitated, melted, undercooled and then solidified under a containerless condition when a continuous laser beam heating system was incorporated. By revealing the surface and cross-sectional microstructures, copious nucleation is confirmed to take place in the undercooled melts solidified by either an external seeding or spontaneous crystallization. The nucleation behaviour of eutectic alloys is summarized, indicating that copious nucleation may be an intrinsic attribute of a eutectic system with the exact eutectic composition in unconstrained solidification. Considering the complexity level of crystal structures of eutectic oxide phases in the Fe₂O₃-La₂O₃ alloy, the linear kinetic constants are approximately estimated and the growth kinetics are discussed. The sluggish growth kinetics of the perovskite-type phase, that is LaFeO₃ with a higher complexity level in a unit cell leads to a decoupled growth within a single eutectic colony when the melt is undercooled to exceed the critical undercooling ΔT = 125 K. It is the decoupled growth that results in the formation of anomalous eutectics. The present concept based on the kinetic constant of different phases can also be applicable to account for the growth behaviour of other oxide eutectics when considering the stable and metastable eutectic reactions in different solidification conditions. The nucleation behaviour and growth modes in some oxide eutectic systems have been predicted in the free solidification from an undercooled state.     

Calculation of the interface exchange coupling constants between Fe and FeF2-like fluorides

The interface exchange coupling between ferromagnetic (F) and antiferromagnetic (AF) materials is interesting in itself and has also attracted recent attention in relation to the exchange bias phenomenon. A major difficulty in developing a reliable exchange bias theory lies in the fact that both the F and AF interface characteristics (geometry and physical parameters) are hard to determine experimentally and complicated to estimate theoretically. We adopt in this paper two alternative interface configurations to obtain upper and lower bounds for the computed values of the exchange coupling across the interface between metallic Fe and insulating FeF₂, derived on the basis of ab initio calculations implemented for a periodic supercell. Electronic structures and total energies were computed within density functional theory using the generalized gradient approximation for the exchange correlation potential. We expect the results obtained to be useful in model simulations with larger unit cells and non-collinear spins.     

On the dynamical coupling between the dipolar and tunneling system of CH3-groups in solids at high temperatures

For methyl groups a dynamical coupling has been predicted between the dipolar and tunnelling systems, also at high temperatures where the observable tunnelling frequency at thermal equilibrium ω_t is zero. This is experimentally confirmed by observed non-exponential dipolar relaxation for ω₀²τ_c² ? 1.     

Experimentally derived Auger transition probabilities in X-ray excited Auger electron spectroscopy (XAES)

The capability of Auger transition probabilities experimentally derived from X-ray excited Auger electron spectra in XPS were tested. The relative sensitivity factor (RSF) method has been employed in the quantification by AES (Electron excited Auger electron spectroscopy). However, the difference between experimentally derived RSF and theoretically calculated ones has been found in some reports. One of the great reason of the difference may be caused by the calculated values of the Auger transition yield which has been commonly employed without the consideration of the allotment of coupling scheme in the transition selected in the quantification, for instance, the allotment of each six coupling KL₁L₁, KL₁L₂, KL₁L₃, KL₂L₂, KL₂L₃, and KL₃L₃ in KLL transition. The employment of derived Auger transition probabilities reduce the difference between theoretically calculated RSF and experimentally derived one.     

Diffusionless crystal growth in a eutectic system during rapid solidification

Experiments on nonequilibrium rapid eutectic growth are surveyed. The applicability limits of the modern theoretical models describing rapid solidification of binary systems are assessed. A problem of rapid eutectic growth when the local equilibrium is violated in the solute diffusion field (in the bulk liquid and at the solid-liquid interface) is formulated. An analytical solution to the problem of rapid lamellar eutectic growth under local nonequilibrium conditions in the solute diffusion field is found. It is shown that the diffusion-limited growth of a eutectic pattern ceases as soon as a chemically homogeneous crystalline phase begins to grow when the critical point V=V _D is achieved (V is the solid-liquid interface velocity and V _D is the solute diffusion speed in the bulk liquid). At V ≥ V _D, eutectic decomposition is suppressed and the nascent homogeneous crystalline phase has the initial (nominal) chemical composition of the binary system.     

Microstructure and properties of Ni–Ni3Si composites by directional solidification

Ni–Ni₃Si composites are prepared by the Bridgman directional solidification technology under different growth conditions, aiming to improve the ductility of the Ni₃Si compound and investigate the relationship between solidification microstructure and the properties. Microstructure of the Ni–Ni₃Si hypoeutectic in situ composites transforms from regular lamellar eutectic to cellular structure then to dendritic crystal with the increase of the solidification rate. Ni–Ni₃Si eutectic composites display regular lamellar eutectic structure at the solidification rate R=6.0–40.0 μm/s and the lamellar spacing is decreased with the increase of the solidification rate. Moreover, the Ni–Ni₃Si hypoeutectic composites present lower micro-hardness than pure Ni₃Si, which indicate Ni–Ni₃Si hypoeutectic composites have higher ductility, whereas the ductility of the Ni–Ni₃Si eutectic composites has scarcely been improved. This is caused by the formation of the metastable Ni₃₁Si₁₂ phase in the Ni–Ni₃Si eutectic composites.     

Application of SAXS to the study of particle-size-dependent thermal conductivity in silica nanofluids

Knowledge of the size and distribution of nanoparticles in solution is critical to understanding the observed enhancements in thermal conductivity and heat transfer of nanofluids. We have applied small-angle X-ray scattering (SAXS) to the characterization of SiO₂ nanoparticles (10–30 nm) uniformly dispersed in a water-based fluid using the Advanced Photon Source at Argonne National Laboratory. Size distributions for the suspended nanoparticles were derived by fitting experimental data to an established model. Thermal conductivity of the SiO₂ nanofluids was also measured, and the relation between the average particle size and the thermal conductivity enhancement was established. The experimental data contradict models based on fluid interfacial layers or Brownian motion but support the concept of thermal resistance at the liquid–particle interface.