Summary of the CALPHAD XXXVI 2007 conference

From 6–11 May 2007, 147 registered participants met at State College, Pennsylvania, for the thirty-sixth CALPHAD meeting organized by Zi-Kui Liu, Steve Hansen, Joanne Murray and Phillip Spencer. Activities were held at Toftrees Golf Resort and Conference Center with logistics run by graduate students and postdoctoral fellows from The Pennsylvania State University. Over the course of six days, 57 oral presentations and 84 posters were offered, the abstracts and titles of which are summarized in this report. Posters were on display from Sunday evening until Friday morning. In addition to the continuous display of the posters, two dedicated poster sessions were held in the Monday and Tuesday evenings, which were overwhelmingly enjoyed by the participants.

The CALPHAD Gibbs Triangle Award, an honor given only every three to five years, was bestowed upon Gunnar Eriksson. Fourteen CALPHAD scholarships were awarded to promising students in the field, the Best Paper Award for papers published in 2006 in the CALPHAD journal was conferred, and a Best Poster Award was chosen for one of the conference’s posters.     

A thermodynamic assessment of the nickel–lead system

Thermodynamic properties and the phase equilibria of the Ni–Pb binary system were assessed by the CALPHAD (CALculation of PHase Diagrams) method using the available literature data. The phase diagram and the excess Gibbs energy values of the solution phases, molten alloy and the fcc solid solution were modelled using the Redlich–Kister polynomials. The experimental data was fitted by a least squares method using MTDATA software tool.     

Experimental investigation and thermodynamic calculation of the phase equilibria in the Fe–Ni–V system

The phase equilibria in the Fe–Ni–V ternary system were investigated by means of electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Three isothermal sections of the Fe–Ni–V ternary system at 1000 °C, 1100 °C and 1200 °C were established. On the basis of the obtained experimental data, the phase equilibria in the Fe–Ni–V system were thermodynamically assessed using (CALculation of PHAse Diagrams) CALPHAD method, and a consistent set of thermodynamic parameters leading to reasonable agreement between the calculated results and experimental data was obtained.     

TM-Gd合金系非晶形成能力的热力学研究（I）

在Co-Gd二元系合金体系的热力学优化评估的基础之上,应用CALPHAD （ CALculation of PHAse Diagram）技术,研究此二元非晶合金的玻璃形成能力。本文分析了700 K、800 K时Co-Gd合金中各元素含量对非晶形成能力的影响,预测了非晶形成的最优成分,计算过冷液相中的结晶相形成驱动力。通过与部分实验和非晶共晶点准则的比较可见,本文所做的热力学分析对此二元合金的非晶制备具有一定的理论指导意义。     

Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Thermodynamic measurements on BaMoO₄, BaMoO₃ and BaMo₃O₁₀ are reported, that served as input for the development of a thermodynamic model of the Ba-Mo-O system using the CALPHAD methodology. The valence states of molybdenum in BaMoO₄ and BaMoO₃ were confirmed to be VI and IV, respectively, from X-ray Absorption Near Edge Structure Spectroscopy measurements at the Mo K-edge. The heat capacity at low temperatures of these compounds was obtained from thermal-relaxation calorimetry. Phase equilibrium data in the BaMoO₄-MoO₃ section were also measured, and the transition enthalpy associated with the peritectic decomposition of BaMo₃O₁₀ was determined using Differential Scanning Calorimetry. The developed thermodynamic model used the compound energy formalism for intermediate compounds, and an ionic two-sublattice model for the liquid phase. The optimized Gibbs energies were assessed with respect to the known thermodynamic and phase equilibrium data. A good agreement is generally obtained, but a number of ill-defined data were also identified.     

Microstructure evolution during homogenization of Al–Mn–Fe–Si alloys: Modeling and experimental results

Microstructure evolution during the homogenization heat treatment of Al–Mn–Fe–Si, or AA3xxx, alloys has been investigated using a combination of modeling and experimental studies. The model is fully coupled to CALculation PHAse Diagram (CALPHAD) software and has explicitly taken into account the two different length scales for diffusion encountered in modeling the homogenization process. The model is able to predict the evolution of all the important microstructural features during homogenization, including the inhomogeneous spatial distribution of dispersoids and alloying elements in solution, the dispersoid number density and the size distribution, and the type and fraction of intergranular constituent particles. Experiments were conducted using four direct chill (DC) cast AA3xxx alloys subjected to various homogenization treatments. The resulting microstructures were then characterized using a range of characterization techniques, including optical and electron microscopy, electron micro probe analysis, field emission gun scanning electron microscopy, and electrical resistivity measurements. The model predictions have been compared with the experimental measurements to validate the model. Further, it has been demonstrated that the validated model is able to predict the effects of alloying elements (e.g. Si and Mn) on microstructure evolution. It is concluded that the model provides a time and cost effective tool in optimizing and designing industrial AA3xxx alloy chemistries and homogenization heat treatments.     

Thermodynamic database of the phase diagrams in the Mg-Al-Zn-Y-Ce system

The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams （CALPHAD） method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.     

Determining hot cracking index of Al–Si–Cu–Mg casting alloys calculated using effective solidification range

The possibility of determining the hot cracking index using the calculated value of the effective solidification range is investigated for multicomponent cast aluminium alloys based on the system Al–Si–Cu–Mg with Mn, Ni, Fe and Zn additives. The upper limit of the effective solidification range was calculated as the temperature of formation of 65 wt-% solid phase using Sheil model. The linear relationship of the hot cracking index and the effective solidification range in the industrial and experimental multicomponent alloys based on the Al–Si–Cu–Mg system is demonstrated.