Abstract
High-entropy carbides (HECs) are a new class of materials with properties that are promising for applications in extreme environments, involving high temperature, corrosion, and high ion-flux. In HECs, multiple principal cations form solid solutions, similar to medium/high-entropy alloys (M/HEA). However, mixing of atoms can be non-ideal, resulting in chemical short-range order (CSRO). CSRO has been already reported in M/HEAs, cation-disordered oxides, and high-entropy oxides and in many cases, it was found to have significant impact on materials properties. CSRO in covalently-bonded high-entropy ceramics has not been observed so far, and its potential impact on materials properties is unknown. In contrast to M/HEAs, in HECs only one of the sublattices forms a solid solution, and therefore it is unclear whether the concept of CSRO extends to HECs. Here, we report the observation of CSRO in multiple HECs using a combination of atomistic simulations and scanning transmission electron microscopy. We find that CSRO in HECs can be controlled by both selection of chemical elements and heat treatment, and it significantly improves radiation resistance, although it is not the only factor. Our findings expand the understanding of CSRO to HECs and provide a pathway for design of new materials for extreme environments.
Data availability
Source data are provided with this paper. All data that support this study are presented in the main text and/or the Supplementary Information and are available from the corresponding author upon request. Source data are provided with this paper.
References
Li, Z. et al. Phase, microstructure and related mechanical properties of a series of (NbTaZr)C-Based high entropy ceramics. Ceram. Int 47, 14341–14347 (2021).
Divilov, S. et al. Disordered enthalpy–entropy descriptor for high-entropy ceramics discovery. Nature 625, 66–73 (2024).
Huang, S. et al. Irradiation performance of high entropy ceramics: A comprehensive comparison with conventional ceramics and high entropy alloys. Prog. Mater. Sci. 143, 101250 (2024).
Wang, X. et al. Radiation-induced segregation in a ceramic. Nat. Mater. 19, 992–998 (2020).
Zhang, H. et al. Enhancing the phase stability of ceramics under radiation via multilayer engineering. Sci. Adv. 7, 1–10 (2021).
Tunes, M. A. et al. From high-entropy alloys to high-entropy ceramics: The radiation-resistant highly concentrated refractory carbide (CrNbTaTiW)C. Acta Mater. 250, 118856 (2023).
Wang, F. et al. Irradiation damage in (Zr0.25Ta0.25Nb0.25Ti0.25)C high-entropy carbide ceramics. Acta Mater. 195, 739–749 (2020).
Oses, C., Toher, C. & Curtarolo, S. High-entropy ceramics. Nat. Rev. Mater. 5, 295–309 (2020).
Wang, F. et al. The effect of submicron grain size on thermal stability and mechanical properties of high-entropy carbide ceramics. J. Am. Ceram. Soc. 103, 4463–4472 (2020).
Gild, J. et al. High-entropy metal diborides: a new class of high-entropy materials and a new type of ultrahigh temperature ceramics. Sci. Rep. 6, 37946 (2016).
Feng, L., Fahrenholtz, W. G. & Brenner, D. W. High-entropy ultra-high-temperature borides and carbides: a new class of materials for extreme environments. Annu Rev. Mater. Res 51, 165–185 (2021).
Smith, N. C., Liu, T. chen, Xia, Y. & Wolverton, C. Competition between long- and short-range order in size-mismatched medium-entropy alloys. Acta Mater. 277, 120199 (2024).
Zhang, R. et al. Short-range order and its impact on the CrCoNi medium-entropy alloy. Nature 581, 283–287 (2020).
Chen, X. et al. Direct observation of chemical short-range order in a medium-entropy alloy. Nature 592, 712–716 (2021).
Lei, Z. et al. Enhanced strength and ductility in a high-entropy alloy via ordered oxygen complexes. Nature 563, 546–550 (2018).
Ding, Q. et al. Tuning element distribution, structure and properties by composition in high-entropy alloys. Nature 574, 223–227 (2019).
Han, Y. et al. Ubiquitous short-range order in multi-principal element alloys. Nat. Commun. 15, 6486 (2024).
Moniri, S. et al. Three-dimensional atomic structure and local chemical order of medium- and high-entropy nanoalloys. Nature 624, 564–569 (2023).
Huang, Z. et al. Tailoring Local Chemical Ordering via Elemental Tuning in High-Entropy Alloys. J. Am. Chem. Soc. 146, 2167–2173 (2024).
Li, Y. et al. Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography. Nat. Commun. 14, 7410 (2023).
Zhang, F. X. et al. Local structure and short-range order in a nicocr solid solution alloy. Phys. Rev. Lett. 118, 205501 (2017).
He, M., Davids, W. J., Breen, A. J. & Ringer, S. P. Quantifying short-range order using atom probe tomography. Nat. Mater. 23, 1200–1207 (2024).
Li, L. et al. Atomic-scale probing of short-range order and its impact on electrochemical properties in cation-disordered oxide cathodes. Nat. Commun. 14, 7448 (2023).
Ji, H. et al. Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries. Nat. Commun. 10, 592 (2019).
Jiang, B. et al. Probing the local site disorder and distortion in pyrochlore high-entropy oxides. J. Am. Chem. Soc. 143, 4193–4204 (2021).
Abu-Odeh, A., Uberuaga, B. P. & Asta, M. Barrier-free predictions of short-range ordering/clustering kinetics in binary FCC solid solutions. Acta Mater. 257, 119185 (2023).
Coury, F. G., Miller, C., Field, R. & Kaufman, M. On the origin of diffuse intensities in fcc electron diffraction patterns. Nature 622, 742–747 (2023).
Walsh, F., Zhang, M., Ritchie, R. O., Minor, A. M. & Asta, M. Extra electron reflections in concentrated alloys do not necessitate short-range order. Nat. Mater. 22, 926–929 (2023).
He, Q. F. et al. Understanding chemical short-range ordering/demixing coupled with lattice distortion in solid solution high entropy alloys. Acta Mater. 216, 117140 (2021).
Cowley, J. M. An approximate theory of order in alloys. Phys. Rev. 77, 669–675 (1950).
Cowley, J. M. Short-range order and long-range order parameters. Phys. Rev. 138, A1384 (1965).
Qureshi, M. W. et al. Predictive screening of phase stability in high-entropy ceramics. Mater. Adv. 6, 5286–5294 (2025).
Wu, R. J., Mittal, A., Odlyzko, M. L. & Mkhoyan, K. A. Simplifying electron beam channeling in scanning transmission electron microscopy (STEM). Microsc. Microanalysis 23, 794–808 (2017).
Voyles, P. M., Muller, D. A. & Kirkland, E. J. Depth-Dependent Imaging of Individual Dopant Atoms in Silicon. Microsc. Microanalysis 10, 291–300 (2004).
Hsiao, H.-W. et al. Data-driven electron-diffraction approach reveals local short-range ordering in CrCoNi with ordering effects. Nat. Commun. 13, 6651 (2022).
Padgett, E. et al. The exit-wave power-cepstrum transform for scanning nanobeam electron diffraction: robust strain mapping at subnanometer resolution and subpicometer precision. Ultramicroscopy 214, 112994 (2020).
Wang, L. et al. Tailoring planar slip to achieve pure metal-like ductility in body-centred-cubic multi-principal element alloys. Nat. Mater. 22, 950–957 (2023).
Fuentes, A. F. et al. Pyrochlore-type lanthanide titanates and zirconates: Synthesis, structural peculiarities, and properties. Appl. Phys. Rev. 11, 021337 (2024).
Shamblin, J. et al. Probing disorder in isometric pyrochlore and related complex oxides. Nat. Mater. 15, 507–511 (2016).
Zhang, Z. et al. Effect of local chemical order on the irradiation-induced defect evolution in CrCoNi medium-entropy alloy. Proc. Natl. Acad. Sci. 120, 2017 (2023).
Cao, P. How does short-range order impact defect kinetics in irradiated multiprincipal element alloys?. Acc. Mater. Res 2, 71–74 (2021).
Trinh, L. et al. Compositionally complex carbide ceramics: A perspective on irradiation damage. J. Appl. Phys.135, 200901 (2024).
Zhu, Y. et al. Microstructural damage evolution of (WTiVNbTa)C5 high-entropy carbide ceramics induced by self-ions irradiation. J. Eur. Ceram. Soc. 42, 2567–2576 (2022).
Zhang, G. et al. Exploring radiation damage in (Hf0.2Zr0.2Ta0.2Ti0.2Nb0.2)C high-entropy carbide ceramic: Integrating experimental and atomistic investigations. Int J. Refract Met. Hard Mater. 123, 106755 (2024).
Xin, X.-T. et al. Reduced He ion irradiation damage in ZrC-based high-entropy ceramics. J. Adv. Ceram. 12, 916–929 (2023).
Zhang, J. et al. A study on He ion irradiation damage in (Ti0.25Zr0.25Nb0.25Ta0.25)C high-entropy carbide ceramics from room temperature to 700 °C. J. Eur. Ceram. Soc. 45, 116855 (2025).
Yang, Y., Lo, W. Y., Dickerson, C. & Allen, T. R. Stoichiometry effect on the irradiation response in the microstructure of zirconium carbides. J. Nucl. Mater. 454, 130–135 (2014).
Zuo, Y. et al. Performance and cost assessment of machine learning interatomic potentials. J. Phys. Chem. A 124, 731–745 (2020).
Shapeev, A. V. Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials. Multiscale Modeling Simul. 14, 1153–1173 (2016).
Gubaev, K., Podryabinkin, E. V., Hart, G. L. W. & Shapeev, A. V. Accelerating high-throughput searches for new alloys with active learning of interatomic potentials. Comput Mater. Sci. 156, 148–156 (2019).
Podryabinkin, E. V., Tikhonov, E. V., Shapeev, A. V. & Oganov, A. R. Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning. Phys. Rev. B. 99, https://doi.org/10.1103/PhysRevB.99.064114 (2019).
Chen, C. & Ong, S. P. A universal graph deep learning interatomic potential for the periodic table. Nat. Computational Sci. 2022 2:11 2, 718–728 (2022).
Plimpton, S. Fast parallel algorithms for short-range molecular dynamics. J. Comput Phys. 117, 1–19 (1995).
Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).
Ye, B. et al. First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics. Acta Mater. 170, 15–23 (2019).
Stoller, R. E. et al. On the use of SRIM for computing radiation damage exposure. Nucl. Instrum. Methods Phys. Res B 310, 75–80 (2013).
Wei, S. et al. Radiation induced segregation in titanium diboride. Acta Mater. 267, 119739 (2024).
Malis, T., Cheng, S. C. & Egerton, R. F. EELS log-ratio technique for specimen-thickness measurement in the TEM. J. Electron Microsc Tech. 8, 193–200 (1988).
Egerton, R. F. & Cheng, S. C. Measurement of local thickness by electron energy-loss spectroscopy. Ultramicroscopy 21, 231–244 (1987).
Yankovich, A. B. et al. Picometre-precision analysis of scanning transmission electron microscopy images of platinum nanocatalysts. Nat. Commun. 5, 1–7 (2014).
Voyles, P. M., Muller, D. A., Grazul, J. L., Citrin, P. H. & Gossmann, H.-J. L. Atomic-scale imaging of individual dopant atoms and clusters in highly n-type bulk Si. Nature 416, 826–829 (2002).
Boerner, T. J., Deems, S., Furlani, T. R., Knuth, S. L. & Towns, J. ACCESS: Advancing Innovation. In Practice and Experience in Advanced Research Computing 173–176 (ACM, New York, NY, USA, 2023).
Acknowledgements
I.S., S.W., and M.W.Q. gratefully acknowledge support from the Department of Energy Basic Energy Science Program (grant # DEFG02–08ER46493). J.W. and P.M.V. acknowledge support for STEM experiments and simulations from the Harvey D. Spangler Professorship at UW-Madison and from the National Science Foundation (OAC-1931298) for preparation of the STEM datasets for dissemination. S.W. acknowledges the help from Fengdan Pan for training on ball milling. This work used the TACC’s Stampede3 at the University of Texas at Austin through allocation TG-MAT240078, from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program62, which is supported by National Science Foundation (NSF) grants #2138259, #2138286, #2138307, #2137603, and #2138296.
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S.W., M.W.Q., and I.S. conceived the project, and I.S. supervised the project. J.W. and S.W. designed and performed the 4D-STEM and J.W. performed 4D-STEM analysis work. M.W.Q., J.X., and S.A. trained the MLIP, and M.W.Q. conducted DFT and MD simulations. S.W., X.H., L.L., E.W., R.S., H.Z., X.W., K.S., and J.H.P. prepared the materials, samples, heat treatment. L.L., J.H.P., and S.W. designed and conducted DTA. S.W. conducted the XRD and TEM experiments. S.W., M.W.Q., J.W., P.M.V., and I.S. prepared the manuscript, and all authors reviewed the manuscript.
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Wei, S., Qureshi, M.W., Wei, J. et al. Short-range order in high entropy carbides. Nat Commun (2026). https://doi.org/10.1038/s41467-026-69095-8
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DOI: https://doi.org/10.1038/s41467-026-69095-8