The calculations explore how twelve metals, including titanium, form bonds with nitrogen or carbon.
Decarbonization of cars involves moving from gasoline engines to electric engines and incorporating high-quality steel components that reduce the weight of the vehicle while ensuring efficient engine operation. High-performance steel materials can enhance ride quietness and withstand wear and tear caused by high-speed engine rotation. Improving the steel modification process, which includes enriching the surface with carbon, nitrogen and
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To understand the interactions between elements in steel, a systematic investigation was carried out by a research group at Osaka Metropolitan University led by Associate Professor Tokoteru Oesugi of the Graduate School of Informatics. The group theoretically calculated 120 combinations of how 12 alloy elements, including aluminum and titanium, react with carbon during carburization and nitrogen in the nitriding process.
The results showed that when titanium is placed in a certain arrangement, it bonds with nitrogen or carbon, causing the iron to harden. The group’s analytical data also showed that the alloy element should have a larger metallic radius than iron
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“Although it was not easy to elucidate the mechanism from the results of many calculations, we used multiple linear regression and stratified analysis through trial and error,” Professor Osugi said. “These results are expected to contribute to a better understanding of steel strengthening mechanisms, improved toughness, and the development of superior materials.”
Reference: “Interactions between interstitial elements and substituent elements of solvated diatomic and triatomic groups in α-Fe from first principles calculations” by Tokoteru Oesugi, Shoji Ashino, Yorinobu Takigawa, and Kenji Higashi, 2024, ISIJ International.
DOI: 10.2355/isijinternational.ISIJINT-2024-062
Funding: MEXT Program: Data Generation and Utilization Project, Materials Research and Development Project, ISIJ Research Promotion Grant, Japan Society for the Promotion of Science, Light Metals Educational Foundation, Japan Science and Technology Agency.