교수님께서 2023년도 숭실대학교 교육업적 SFP(Soongsil Fellowship Professor)를 수상하셨습니다. 진심으로 축하드리고 연구 업적 SFP도 받는 날을 고대하며 다같이 더욱 노력하겠습니다!

Author: H.Kim†, J.Kwak†, J.Lee, I.Kim, J.Kim*Title: Development of Innovative MAX Phase Bond Coats for Thermal Barrier Coatings using Multi-scale Simulations Journal: Journal of Materials Research and TechnologyYear: 2025Impact factor: 6.2Abstract:Thermal barrier coatings (TBCs) can face significant thermal and residual stress, particularly at high temperatures. To address this challenge, bond coats (BCs) are needed that can effectively mitigate these stresses. This work designs innovative MAX phase (Cr2AlC, Mo2AlC, and W2AlC) BCs with the aim of enhancing thermal shock and crack resistance using multi-scale simulations. The results show Mo2AlC to be particularly suitable as a BC due to its thermal expansion compatibility with both the thermally grown oxide (TGO, Al2O3) and the substrate, outperforming conventional metallic BCs. The small difference in CTE between the MAX phases and TGO or top coat can effectively relieve thermal stress. Also, the BC Mo2AlC with substrate IN617 has the highest flexural strength at high temperature, which has the highest crack resistance. This paper reports on the computational discovery of novel MAX phases, paving the way for the next generation of durable TBCs.

Author: J.Choi†, H.Kim, I.Bae, H.Son, J.Kim*Title: Materials design workflow for extreme environments via computational method: Transition metal-doped (Hf0.5Ta0.5)CJournal: Journal of Materials Research and TechnologyYear: 2025Impact factor: 6.2Abstract:The development of materials such as superalloys, ceramics, and composites for use in extreme environments poses major challenges owing to difficulties associated with those environments, including thermal shock and oxidation. Much research is focusing on optimizing compositions to withstand these conditions. In the present work, a computational workflow for designing compositions was developed. The method was applied to (Hf0.5Ta0.5)C, a representative material suited to extreme environments, but which suffers problems under oxidation conditions due to the low melting point of Ta2O5. Twenty-two potential transition-metal doping elements were screened, and Ti, Zr, Nb, and W were selected because of the excellent mechanical properties of the resulting solid solutions. Ab initio molecular dynamics simulations of oxidation showed that Ti and Zr doping could improve resistance to oxidation by promoting the oxidation of Hf and slowing that of Ta in the (Hf0.5Ta0.5)C. Additionally, Ta, Zr, and Nb doping increased the relative mobility of Hf, which supported sustained Hf oxide growth, as confirmed by nudged elastic band calculations. The results indicate that the appropriate selection of doping elements can enhance the performance with (Hf0.5Ta0.5)C, demonstrating the utility of the proposed composition design workflow.

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