Ni-Al-Ru三元系1273K和1473K等温截面的试验和优化计算研究  

Experimental and Computational Studies of Isothermal Sections of Ni–Al–Ru Ternary System at 1273K and 1473K

作　　者：毛芯茹 吴雪婷 鲁晓刚 MAO Xinru;WU Xueting;LU Xiaogang(Materials Genome Institute of Shanghai University,Shanghai 200444,China;Shanghai University,Shanghai 200444,China)

机构地区：[1]上海大学材料基因组工程研究院,上海200444 [2]上海大学,上海200444

出　　处：《航空制造技术》2021年第18期88-97,共10页Aeronautical Manufacturing Technology

基　　金：国家重点研发计划(2017YFB0701502)。

摘　　要：计算热力学(CALPHAD)方法基于试验以及第一性原理计算等数据,优化模型参数,建立计算热力学数据库。这是建立多元多相材料成分–工艺–组织结构–性能之间定量关系的关键基础。通过对Ni-Al-Ru三元体系的试验和CALPHAD研究,阐明材料基因组(MGI)方法计算–试验–数据库三位一体的研究理念,这也一直是CALPHAD方法的主要特征。采用平衡合金法和扩散偶法制备Ni–Al–Ru三元合金样品,利用能谱分析(EDS)和电子探针显微分析(EPMA)对Ni-Al-Ru三元系1273K和1473K的等温截面进行测定。评估前人的优化工作和文献报道的相平衡数据,运用CALPHAD方法,基于相平衡和第一性原理计算数据,利用Thermo-Calc软件构建合理的热力学模型并优化模型参数,建立合理自洽的Ni-Al-Ru三元体系的热力学数据库,进而与其他高温合金体系相结合,建立完备的高温合金热力学数据库。Computational thermodynamics(CALPHAD)method makes use of various experimental data and firstprinciples calculations to optimize model parameters and then establish thermodynamic databases,which is the key point of researching quantitative relations among composition,process,microstructure and material properties for multi–component and multi-phase materials.In the present work,the experimental and computational studies of the Ni–Al–Ru ternary system adopt the CALPHAD method and phase equilibrium experiment to clarify the new approach of Materials Genome Initiative(MGI).The core idea of MGI is the deep integration of computation–experiment–database,which is also the feature of CALPHAD method.The isothermal sections of the Ni–Al–Ru ternary system at 1273K and 1473K were constructed experimentally by examining equilibrated alloys and diffusion couples,through which the phase equilibria were determined by Energy Dispersive Spectroscopy(EDS)and Electron Probe Micro-Analysis(EPMA).Based on the measured phase equilibria and first–principles calculation data,the model parameters formulating the Gibbs energies of various phases of the binary/ternary systems of Ni–Al–Ru were assessed by the CALPHAD method with the Thermo-Calc software.A set of self-consistent thermodynamic parameters of the Ni–Al–Ru system has been obtained successfully and can be extended to multi-component thermodynamic databases for superalloys.

关 键 词：Ni–Al–Ru 高温合金 相平衡试验 第一性原理计算 计算热力学(CALPHAD) 

分 类 号：TG132.3[一般工业技术—材料科学与工程]