Here, we explore component-dependent local lattice distortions in polycrystalline, equiatomic, face-centered cubic CrMnFeCoNi high-entropy alloys and their modifications induced by dilute interstitial carbon. Multi-edge extended X-ray absorption fine structure spectroscopy combined with reverse Monte Carlo analysis rev...
A. Smekhova, Alexei Kuzmin, G. Muralikrishna et al.· Acta Materialia· 0 citations
This review aims to provide a comprehensive perspective on the ongoing transition from conventional DFT-based simulations toward scalable, statistically rigorous, and predictive atomistic modeling frameworks for HEAs and related compositionally complex materials.
Yuji Ikeda, Xiang Xu, Pranav Kumar et al.· Journal of Materials Science· 1 citation
For decades, atomistic simulation of chemically complex Ni‐based superalloys has remained beyond practical reach. Here, we apply the GRACE foundational machine‐learning interatomic potential to predict chemical ordering and stacking‐fault energetics in the γ$\gamma$ and γ′$\gamma &am...
Aditya Vishwakarma, Sarath Menon, Fritz Körmann et al.· Advanced Engineering Materia...· 0 citations
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