Journal Article

PUBDB-2026-02535

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Impact of interstitial carbon on local lattice distortions in CoCrFeMnNi high-entropy alloys

Smekhova, A. (Corresponding author)Extern* ; Kuzmin, A. (Corresponding author)Extern* ; Muralikrishna, G. M. ; Welter, E.DESY* ; Levcenko, S.DESY* ; Körmann, F. ; Ikeda, Y. (Corresponding author) ; Divinski, S. (Corresponding author)Extern*

2026
Elsevier Science Amsterdam [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.actamat.2026.122664  doi:10.3204/PUBDB-2026-02535

Abstract: 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 reveals that the Cr component experiences the most substantial local distortions, independent of the temperature of prolonged annealing treatments (993 K or 1373 K) and the nominal carbon content (0 to 0.8 at.%). The static disorder around Cr atoms was found to increase markedly and monotonically upon carbon alloying, whereas Mn, Fe, Co, and Ni demonstrate weaker and non-monotonic tendencies. The carbon-induced lattice distortions extend over several coordination shells, indicating the pronounced effect of the carbon presence on the local environment around Cr absorbers. First-principles density functional theory and finite-temperature molecular dynamics simulations confirm the greater impact of carbon on the local lattice distortions around Cr than around the other constituent elements, based on the previous finding that carbon preferentially occupies Cr-rich interstitial sites. These results provide decisive hints towards the atomistic origin of the non-monotonic diffusion behavior previously reported for carbon-doped CrMnFeCoNi alloys, and are noticeable for understanding the carbon-induced phase transitions in compositionally complex systems.

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Contributing Institute(s):

1. FS DOOR-User (FS DOOR-User)
2. Experimentebetreuung PETRA III (FS-PET-S)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. FS-Proposal: I-20240074 (I-20240074) (I-20240074)
4. DFG project G:(GEPRIS)509804947 - Diffusion in BCC Multi-Hauptelement-Legierungen aus Experiment und Ab initio: Einfluss von thermischen Vibrationen und chemischer Komplexität (509804947) (509804947)
5. DFG project G:(GEPRIS)541649719 - Nahordnung, Phasenstabilität und Defekte in chemisch komplexen Legierungen (541649719) (541649719)
6. DFG project G:(GEPRIS)519607530 - Computergestütztes Design von Laves-Phasen-Legierungen als Wasserstoffspeicher (519607530) (519607530)

Experiment(s):

1. PETRA Beamline P65 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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