Xiaoyu Chong, Yan Wei, Xingyu Gao, Aimin Zhang, Jing Feng, Haifeng Song, Li Chen
1 Kunming University of Science and Technology, Kunming, 650093, China
2 Kumning precious metals institute, Kunming, 650000, China
3 Institute of Applied Physics and Computational Mathematics, Beijing, 100094, China 

EXTENDED ABSTRACT: In addressing the current challenges associated with low strength and high costs of Pt-based superalloys used in attitude control engine nozzles, the strengthening mechanisms derived from traditional Ni-based superalloys is employed in this work. Utilizing a self-developed high-throughput multiscale integrated computational platform, the research adopts a parallel design approach encompassing material generation, manufacturing processes, and component performance, guided by service performance. The primary objective is to significantly reduce raw material costs while maintaining performance metrics. Initially, the study systematically assesses the impact of alloy elements on the thermodynamic properties of the y/y'phase and employs the results as input for the AutoCalphad software. The Markov Chain Monte Carlo algorithm is then applied to automatically optimize multiple thermodynamic parameters. Subsequently, a high­throughput first-principles calculation coupled phase diagram thermodynamic model is developed to assess the resistance to creep and oxidation. Based on the optimized y/y'Pt-based superalloy, service behavior predictions are conducted considering specimen structure, aiming to reduce development cycles, save research costs, and establish a paradigm for the development of noble metal superalloys.
Keywords: Pt-based superalloy; Integrated computing; Thermodynamic model; Creep resistance; Oxidation resistance; Service behavior prediction;