| Autor: |
Shen, Xiao, Wang, YiXu, Xu, Zigan, Zou, Bowen, Liotti, Enzo, Dronskowski, Richard, Song, Wenwen |
| Rok vydání: |
2024 |
| Předmět: |
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| Druh dokumentu: |
Working Paper |
| Popis: |
The present work investigates the atomic interactions among Cu, Al, and Ni elements in bcc-iron matrix, focusing on the formation mechanism of nano-sized core-shell Cu precipitates. Using a combination of atom probe tomography (APT), density functional theory (DFT) cal-culations, and molecular dynamics (MD) simulations, the study provides insights into the atomic-scale migration tendencies of these elements in the supersaturated solid solution sur-rounding Cu precipitate in the martensite phase of a medium-Mn steel. The results show that Ni and Al atoms were not expelled by Cu atoms but were instead attracted to the bcc iron matrix, forming a stable co-segregation in the outer shell. This phase effectively surrounded the nano-sized Cu precipitate and prevented its rapid growth, contributing to improved me-chanical properties. The findings offer a theoretical method for developing Cu-contaminated circular steels by utilizing DFT calculations to unravel bonding preferences and assess the po-tential for forming a stable precipitation phase around nano-sized Cu precipitates. |
| Databáze: |
arXiv |
| Externí odkaz: |
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