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Thermodynamic modeling of selected ternary systems containing Y and CALPHAD simulation of CoNiCrAlY metallic coatings
Calphad ( IF 2.4 ) Pub Date : 2020-11-04 , DOI: 10.1016/j.calphad.2020.102214
Yao Wang , Marlena Ostrowska , Gabriele Cacciamani

Metallic coatings can improve the high temperature resistance of superalloys serving in the gas turbines. In general they are Al–Co–Cr–Ni alloys with small Y additions to improve oxide scale adherence.

In order to complete the construction of a thermodynamic database for coatings, thermodynamic assessments of four ternary systems have been performed by means of the CALPHAD method, namely Al–Co–Y, Al–Ni–Y, Al–Cr–Y and Co–Ni–Y. All of the experimental phase diagrams and thermodynamic data available in the literature were critically reviewed. The liquid, fcc, bcc and hcp phases were modeled as substitutional solutions. The order-disorder model has been adopted to describe the A1/L12 and A2/B2 phase relations. A series of ternary compounds have been modeled during the present work according to the crystal structure or composition. As a result a satisfactory agreement was obtained between our calculations and the experimental data used in the assessment.

Finally, interaction parameters calculated in this work have been merged in the thermodynamic database for the simulation of Al–Co–Cr–Ni–Y alloys. This has been validated by comparing our calculations with experimental data regarding selected Ni-based and Co-based alloy coatings.



中文翻译:

包含Y和CALPHAD的CoNiCrAlY金属涂层模拟的选定三元系统的热力学建模

金属涂层可以改善在燃气轮机中使用的高温合金的耐高温性。通常,它们是添加少量Y的Al–Co–Cr–Ni合金,以改善氧化物垢的附着力。

为了完成涂料热力学数据库的构建,已经通过CALPHAD方法对四个三元体系进行了热力学评估,即Al–Co–Y,Al–Ni–Y,Al–Cr–Y和Co–镍-镍。严格审查了文献中的所有实验相图和热力学数据。将液相,fcc,bcc和hcp相建模为替代溶液。已采用有序-无序模型来描述A1 / L1 2和A2 / B2的相位关系。在本工作中,根据晶体结构或组成对一系列三元化合物进行了建模。结果,在我们的计算与评估中使用的实验数据之间获得了令人满意的协议。

最后,在这项工作中计算出的相互作用参数已经合并到热力学数据库中,用于模拟Al–Co–Cr–Ni–Y合金。通过将我们的计算结果与有关选定的Ni基和Co基合金涂层的实验数据进行比较,已验证了这一点。

更新日期:2020-11-06
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