Al−Cu−Li−Mg合金纳米相之间溶质配分行为的第一性原理研究

采用一性原理计算考察25种合金化元素在大多数商业牌号Al−Cu−Li−Mg合金中主要纳米相(δʹ-Al3Li、θʹ-Al2Cu、T1-Al6Cu4Li3和S-Al2CuMg)之间的溶质配分能和配分行为。计算结果表明,主合金化元素Li不能直接影响θʹ和S相,Cu不能直接影响δʹ相,Mg不能直接影响θʹ和δʹ相,但可以较弱地固溶于T1相。对于微合金化元素,Si是唯一一种可以固溶于4种纳米相的元素。Au能固溶于δʹ、θʹ和S相,Cd能固溶于δʹ、T1和S相,Zr能固溶于δʹ和T1相,Ni仅有微弱的趋势固溶于θʹ和S相。Ti、V、Zn、Ag和Mo只能固溶于δʹ相,而Cr、Mn、Fe和Co对这4种纳米相均没有直接影响。几乎所有的稀土元素均能强烈固溶于T1、δʹ和S相,但无法固溶于θʹ相。仅Sc略显特殊,对S相没有明显的固溶趋势。计算预测的溶质配分能构成了一个原型数据库,有利于指导和加速Al−Li合金及其他相关Al合金的设计。

Growth mechanism of primary silicon in cast hypoeutectic Al-Si alloys

The microstructural features of hypoeutectic AI-10%Si alloy were observed using optical microscopy and electron backscatter diffraction. The results show that primary silicon particles are frequently found in hypoeutectic alloys. Hence, the nucleation and growth mechanisms of the precipitation of primary silicon of hypoeutectic Al-10%Si alloy melts were investigated. It was discovered that Si atoms are easy to segregate and form Si-Si clusters, which results in the formation of primary silicon even in eutectic or hypoeutectic Al-Si alloys. In addition, solute redistribution caused by chemical driving force and large pile-ups or micro-segregation of the solute play an important role in the formation of the primary silicon, and the solute redistribution equations were derived from Jackson-Chalmers equations. Once Si solute concentration exceeds eutectic composition, primary silicon precipitates are formed at the front of solid/liquid interface.

Effect of forced lamina flow on microsegregation simulated by phase field method quantitatively

The influence of supercooled melt forced lamina flow on microsegregation was investigated. The concentration distribution at solid-liquid boundary of binary alloy Ni-Cu was simulated using phase field model coupled with flow field. The microsegregation, concentration maximum value, boundary thickness of concentration near upstream dendrite and normal to flow dendrite, and downstream dendrite were studied quantitatively in the case of forced lamia flow. The simulation results show that solute field and flow field interact complexly. Compared with melt without flow, in front of upstream dendrite tip, the concentration boundary thickness is the lowest and the concentration maximum value is the smallest for melt with flow. However, in front of downstream dendrite tip, the results are just the opposite. The zone of poor Cu in upstream dendrite where is the most severely microsegregation and shrinkage cavity is wider and the concentration is lower for melt with flow than that without flow.

Copper partitioning between granitic silicate melt and coexisting aqueous fluid at 850°C and 100 MPa

Experiments on the partitioning of Cu between different granitic silicate melts and the respective coexisting aqueous fluids have been performed under conditions of 850 ℃, 100 MPa and oxygen fugacity （fO2） buffered at approaching Ni-NiO （NNO）. Partition coefficients of Cu （Dcu = Cfluid/Cmelt） were varied with different alumina/alkali mole ratios [Al2O3/（Na2O ＋ K2O）, abbreviated as Al/ Alk], Na/K mole ratios, and SiO2 mole contents. The DCu increased from 1.28 ± 0.01 to 22.18 ±0.22 with the increase of Al/Alk mole ratios （ranging from 0.64 to 1.20） and Na/K mole ratios （ranging from 0.58 to 2.56）. The experimental results also showed that Dcu was positively correlated with the HCl concentration of the starting fluid. The Dcu was independent of the SiO2 mole content in the range of SiO2 content considered. No Dcu value was less than 1 in our experiments at 850 ℃ and 100 MPa, indicating that Cu preferred to enter the fluid phase rather than the coexisting melt phase under most conditions in the melt-fluid system, and thus a significant amount of Cu could be transported in the fluid phase in the magmatichydrothermal environment. The results indicated that Cu favored partitioning into the aqueous fluid rather than the melt phase if there was a high Na/K ratio, Na-rich, peraluminous granitic melt coexisting with the high Cl^- fluid.

Solute redistribution profiles during rapid solidification of undercooled ternary Co-Cu-Pb alloy

The solute redistribution and phase separation of liquid ternary Co-35%Cu-32.5%Pb immiscible alloy have been investigated using glass fluxing method.A bulk undercooling of 125 K was achieved and the macrosegregation pattern was characterized by a top Co-rich zone and a bottom Cu-rich zone.The average solute contents of the two separated zones decreased with the increase of undercooling,except for the solute Pb in Cu-rich zone.With the enhancement of undercooling,a morphological transition from dendrites into equaxied grains occurred to the primary(Co)phase in Co-rich zone.The solute redistribution of Cu in primary(Co)phase was found to depend upon both the undercooling and composition of Co-rich zone.Stokes migration is shown to be the main dynamic mechanism of droplet movement during liquid phase separation.