Al-Fe-Si、Al-Mn-Si与Al-Fe-Mn-Si体系热力学描述的更新

采用Calphad方法对Al-Fe-Mn-Si四元系及其子体系进行热力学评估。首先，通过考虑文献中最新的实验研究结果以及对部分三元化合物应用新的热力学模型，修正Al-Fe-Si三系的热力学描述，显著地改善了整个成分范围内、尤其是富Al角的液相面投影图。随后，对三元化合物a-AlMnSi和β-AlMnSi采用新的模型，精修Al-Mn-Si体系富Al角的热力学描述。然后，通过模拟a-AlMnSi相在Al-Fe-Mn-Si体系中的固溶度，优化Al-Fe-Mn-Si四元系富Al角的热力学描述。在优化时，对a-AlMnSi作特殊考虑并加入限制条件，以确保其不会在Al-Fe-Si三元系中变得稳定。最后，将所获得的热力学描述加入TCAL数据库，通过一系列的相平衡计算与凝固模拟、以及与商业铝合金的实验数据的比较，对所获得的热力学描述进行全面的验证。更新后的TCAL数据库能够可靠地预测Al-Fe-Si基与Al-Fe-Mn-Si基合金中的相形成。     

Phase diagrams of advanced magnesium alloys containing Al,Ca, Sn,Sr, and Mn

In this paper an overview of the most relevant phase diagrams is given comprising the unconventional alloying elements Sn, Ca, and Sr, in reasonable combinations with Al and Mn in Mg alloys as a basis for advanced applications. The focus is on magnesium-rich partial projections of the liquidus surface of five ternary systems, relevant to technological applications for lightweight materials. All phase diagrams are calculated from a coherent thermodynamic multicomponent database for magnesium alloys. These calculations are validated by key samples in the pertinent subsystems, including extensive ternary assessments and also quaternary work. Isothermal sections of magnesium-rich phase diagrams of alloys with constant aluminum and manganese content at 500°C and 550°C are given for the two five-component systems: Mg-Al-Mn-Ca-Sr and Mg-Al-Mn-Ca-Sn.     

液态结构对Al-Cu熔体过剩自由能的影响

通过分析Miediema模型和亚规则溶液模型在描述Al-Cu合金过剩自由能上的差异，提出了一个新的二元合金热力学模型。该模型考虑了液态结构因素对二元合金热力学性质的影响。与实验测定的溶液过剩自由能进行的比较表明，该模型具有良好的实用性。使用该模型可以计算熔体中不同成分的有序原子团对Al-Cu二元合金热力学性质的影响。     

锛造Mg-Al-Zn合金的成分、相组成与凝固路径的关系

采用SEM,EDS和XRD研究了几种Mg-Al-Zn合金的成分、相组成与凝固路径的关系.结果表明,Mg-Al-Zn合金的相组成与Zn/Al质量比有关;随着Zn/Al比值的增加,第二相γ Mg_(17)Al_(12)的数量减少,逐渐被φ-Mg_(21)(Zn,Al)_(17)取代,直至完全消失.通过搜集合金中町能存在的各相的热力学模型,运用Pandat热力学计算软件平台,计算并比较了平衡和非平衡(Scheil模型及金属型铸造)条件下合金的成分、相组成与凝固路径的关系.结果表明,金属型铸造的凝固过程偏离平衡凝固过程,Scheil模饿很好地解释了大多数合金铸造组织的相组成;但是由于Scheil模型不考虑有同相作为反应物参与的包晶反应,对ZA65合金凝固路径和相组成的预测结果与实际铸造组织的柑组成不符.     

多元合金耦合热力学数据非等温凝固的相场模拟

研究一种多元合金的非等温相场模型,定量地模拟工业多元合金的真实凝固过程,结合热力学和扩散迁移率的数据来预测整个系统中的相平衡、溶质扩散系数、比热容和放出的潜热。结果表明：这些参数不是常数,它们的值与成分和温度有关。没有这些参数,定量模拟多元合金的凝固几乎是不可能。在这个模型中,界面区域假设是由有同样化学势的固相和液相混合而成的,但组成不同。这个模型中同样考虑反溶质截流。一并将模型应用到工业Al?Cu?Mg合金的各向枝晶自由长大的凝固过程。     

Enthalpies of formation for the Al–Cu–Ni–Zr quaternary alloys calculated via a combined approach of geometric model and Miedema theory

A method to extrapolate the thermodynamic properties of quaternary alloys from constitutive binary systems is presented. The method is based on Miedema's theory, and the asymmetry of thermodynamic properties of constitutive binary alloys is considered in the present model. The dependence of asymmetric constituent on the choice in Toop model has been overcome. This method has been applied to calculate the enthalpies of formation for ternary alloys. In the present work, the proposed method is used to calculate the mixing enthalpies of Al–Cu–Ni–Zr quaternary alloys and its constitutive subsystems. The good agreement between calculation and experimental data indicates that the present method is reasonable for predicting the thermodynamic properties of multi-component system.     

Thermodynamic and Experimental Study of the Mg-Sn-Ag-In Quaternary System

Phase equilibria in the Mg-rich region of the Mg-Sn-Ag ternary system were determined by quenching experiments, differential scanning calorimetry, electron probe micro-analysis, and X-ray diffraction techniques. No ternary compounds were found in the studied isothermal sections. A critical evaluation of the available experimental data and a thermodynamic optimization of the Mg-Sn-Ag-In quaternary system were carried out using the calculation of phase diagrams method. The modified quasichemical model in the pair approximation was used for the liquid solution, which exhibits a high degree of short-range order. The solid phases were modeled with the compound energy formalism. All available and reliable experimental data were reproduced within experimental error limits. A self-consistent thermodynamic database was constructed for the Mg-Sn-Ag-In quaternary system, which can be used as a guide for Mg-based alloys development.     

基于Thermo-Calc及T-f_S-C_L耦合方法预测Biot≤0.1的合金凝固路径(英文)

将二元合金枝晶凝固传输模型及相应的T-fS-CL耦合求解方法扩展到描述多元合金在Biot≤0.1条件下的凝固。基于提出的扩展模型及算法,提出一种考虑传热影响的预测Biot≤0.1合金凝固路径及微观偏析的方法。该算法与Thermo-Calc热力学计算软件接口程序TQ6相耦合,用于实时计算每次迭代需要的热力学数据。Al-2Si-3Mg三元合金实例计算证实提出的模型及算法和凝固路径与微观偏析预测方法的实用性与可靠性,Al-5.17Cu-2.63Si三元合金凝固实验结果与预测结果的取得较好的一致性。     

利用短程序改进Al-Cu熔体的热力学模型

将Al-Cu熔体中的缔合物AlCu3以短程序的形式引入置换溶液模型中，提出了一个Redlich—Kister多项式表示的缔合溶液模型，可以直接用于Thermo—Calc相图计算软件，并用这个模型改进了Al一Cu合金体系中液相的热力学描述，计算了Al-Cu熔体混合焓、固相线和平衡分凝因数结果表明，本模型比目前广泛应用的Saunders模型能给出更好的结果，而且适用于Mg-Sn和In—Sb等二元合金体系液相的热力学描述．     

Solidification and microstructure modelling of welds in aluminium alloys 5754 and 6111

Abstract

A solidification and microstructure modelling approach has been developed to predict weld metal and heat affected zone (HAZ) characteristics. The freezing range and phase evolution in the weld metal region were predicted using thermodynamic and diffusion controlled growth calculations. The calculated freezing range was correlated with the weld solidification cracking tendency. A simplified analytical model was suggested to describe thermal cycles that are experienced by the HAZ. This analytical model was coupled with a published microstructure model for age hardenable alloys to predict the hardness variations across the HAZ. The above integrated approach was evaluated using experimental welds made on non­age hardenable 5754 (Al–Mg) and age hardenable 6111 (Al–Mg–Si) alloys using gas tungsten arc, electron beam, and gas metal arc welding processes.