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phase diagram calculation and predication of Au–Pd–Zr ternary system

Rare Metals 2017年第2期36卷 142-146页

作者： Jie Yu Lin-Jing Liu Shou-Dong Chen Jing-Chao Chen Faculty of Material Science and Engineering Kunming University of Science and Technology Mechanical Engineering and Automation Department Hunan Biological and Electromechanical Polytechnic

Au-Pd-Zr ternary alloy phase diagram at 25℃ was calculated by Panda phase calculation software,and the thermodynamic data were based on three binary alloy phase diagrams：Pd-Au,Au-Zr,and *** composition points in the ternary phase diagram were selected to predict the precipitation ***（32Au-32Pd-36Zr） of the five composition points in ternary phase diagram was chosen to verify the correctness of the phase diagram calculation and the precipitation order by scanning electron microscopy（SEM）,energy dispersive spectroscopy（EDS）,and X-ray diffraction（XRD）.The unknown phase in XRD patterns was predicated by EDS and materials studio（MS） *** experimental results show that there are seven key ternary reactions points and 17 phase regions in all isothermal sections at 25℃.The thermodynamic process and microstructure for the alloy phase can be described in order according to the vertical section in phase *** phase compositions of the chosen one point are consistent with calculation *** unknown phase in XRD patterns should be Zr_2AuPd by the first principle X-ray simulation.

关键词： calculated phase diagram Ternary alloy Thermodynamic phase transformation Annealing

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Experimental Study and Thermodynamic Optimization of the FeO-V_2O_3 System

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Journal of Iron and Steel Research International 2014年第10期21卷 910-914页

作者： Li ZENG Yu WANG Li-kai FAN Bing XIE College of Materials Science and Engineering Chongqing University

Optimization of the phase diagram of FeO-V20a system is a part of an on-going research project to develop a self-consistent multi-component thermodynamic database for vanadium slag from hot metal. Due to the lack o{ ex- perimental data for optimization, a novel experimental investigation has been carried out by thermal analysis （DSC） with a series of slags on different V2 03 contents （i. e. 3mass%- 12mass%）. All available thermodynamic and phase diagram data for the binary systems have been simultaneously optimized with CALPHAD （Calculation of phase Dia- grams） methods to give one set of model equations for the Gibbs free energy of the liquid slag as functions of compo- sition and temperature. The modified quasi-chemical model was used to describe the binary slag system. It was dem- onstrated that the calculated phase diagram with the optimized parameters was in good agreement with the experi- mental data.

关键词： calculated phase diagram thermal analysis modified quasi-chemical model vanadium slag

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