Abstract
High-entropy ceramics (HECs) are gaining significant interest due to their huge composition space, unique microstructure, and adjustable properties. Previously reported studies focus mainly on HECs with the multi-cationic structure, while HECs with more than one anion are rarely studied. Herein we reported a new class of HECs, namely high-entropy alumino-silicides (Mo0.25Nb0.25Ta0.25V0.25)(Al0.5Si0.5)2 (HEAS-1) with multi-cationic and -anionic structure. The formation possibility of HEAS-1 was first theoretically analyzed from the aspects of thermodynamics and lattice size difference based on the first-principles calculations and then the HEAS-1 were successfully synthesized by the solid-state reaction at 1573 K. The as-synthesized HEAS-1 exhibited good single-crystal hexagonal structure of metal alumino-silicides and simultaneously possessed high compositional uniformity. This study not only enriches the categories of HECs but also will open up a new research field on HECs with multi-cationic and -anionic structure.
摘要
高熵陶瓷材料因具有巨大的组分空间、独特的微观结构以及可调控的性能而引起国内外研究者的广泛关注. 目前, 高熵陶瓷材料的研究主要集中在具有多主元阳离子结构的高熵陶瓷材料领域. 然而, 关于具有多主元阴阳离子结构的高熵陶瓷材料的研究报道较少. 本文首次报道了一类新型的具有多主元阴阳离子结构的高熵陶瓷材料, 即高熵硅铝化物 (Mo0.25Nb0.25Ta0.25V0.25)(Al0.5Si0.5)2.首先基于第一性原理计算从化学反应热力学和晶格尺寸差异两个方面分析了高熵硅铝化物形成的可能性, 然后以过渡金属粉体以及硅粉和铝粉为原料, 采用固相反应技术在1573 K下成功地制备出等摩尔比的高熵硅铝化物. 研究结果表明: 所制备的高熵硅铝化物具有单一金属硅铝化物的六方晶系晶体结构, 同时, 所有组成元素的分布具有高度均匀性. 该研究不仅丰富了高熵陶瓷材料的种类, 而且为开拓具有多主元阴阳离子结构的高熵陶瓷材料提供了参考.
Article PDF
Similar content being viewed by others
References
Miracle DB, Senkov ON. A critical review of high entropy alloys and related concepts. Acta Mater, 2017, 122: 448–511
Tsai MH, Yeh JW. High-entropy alloys: a critical review. Mater Res Lett, 2014, 2: 107–123
Zhang W, Liaw PK, Zhang Y. Science and technology in high-entropy alloys. Sci China Mater, 2018, 61: 2–22
Shi P, Ren W, Zheng T, et al. Enhanced strength-ductility synergy in ultrafine-grained eutectic high-entropy alloys by inheriting microstructural lamellae. Nat Commun, 2019, 10: 489
El-Atwani O, Li N, Li M, et al. Outstanding radiation resistance of tungsten-based high-entropy alloys. Sci Adv, 2019, 5: eaav2002
Shi Y, Yang B, Xie X, et al. Corrosion of AlxCoCrFeNi high-entropy alloys: Al-content and potential scan-rate dependent pitting behavior. Corros Sci, 2017, 119: 33–45
Zhang ZJ, Mao MM, Wang J, et al. Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi. Nat Commun, 2015, 6: 10143
Chen S, Li W, Xie X, et al. Nanoscale serration and creep characteristics of Al0.5CoCrCuFeNi high-entropy alloys. J Alloys Compd, 2018, 752: 464–475
Niu S, Kou H, Zhang Y, et al. The characteristics of serration in Al0.5CoCrFeNi high entropy alloy. Mater Sci Eng-A, 2017, 702: 96–103
Rost CM, Sachet E, Borman T, et al. Entropy-stabilized oxides. Nat Commun, 2015, 6: 8485
Jiang S, Hu T, Gild J, et al. A new class of high-entropy perovskite oxides. Scripta Mater, 2018, 142: 116–120
Harrington TJ, Gild J, Sarker P, et al. Phase stability and mechanical properties of novel high entropy transition metal carbides. Acta Mater, 2019, 166: 271–280
Ye B, Wen T, Huang K, et al. First-principles study, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramic. J Am Ceram Soc, 2019, 102: 4344–4352
Ye B, Wen T, Nguyen MC, et al. First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics. Acta Mater, 2019, 170: 15–23
Feng L, Fahrenholtz WG, Hilmas GE, et al. Synthesis of singlephase high-entropy carbide powders. Scripta Mater, 2019, 162: 90–93
Ye B, Ning S, Liu D, et al. One-step synthesis of coral-like high-entropy metal carbide powders. J Am Ceram Soc, 2019, 102: 6372–6378
Gild J, Zhang Y, Harrington T, et al. High-entropy metal diborides: a new class of high-entropy materials and a new type of ultrahigh temperature ceramics. Sci Rep, 2016, 6: 37946
Tallarita G, Licheri R, Garroni S, et al. Novel processing route for the fabrication of bulk high-entropy metal diborides. Scripta Mater, 2019, 158: 100–104
Liu D, Wen T, Ye B, et al. Synthesis of superfine high-entropy metal diboride powders Scripta. Mater, 2019, 167: 110–114
Gild J, Braun J, Kaufmann K, et al. A high-entropy silicide: (Mo0.2Nb0.2Ta0.2Ti0.2W0.2)Si2. J Materiomics, 2019, doi: https://doi.org/10.1016/j.jmat.2019.03.002
Qin Y, Liu JX, Li F, et al. A high entropy silicide by reactive spark plasma sintering. J Adv Ceram, 2019, 8: 148–152
Ye B, Wen T, Liu D, et al. Oxidation behavior of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramics at 1073–1473 K in air. Corros Sci, 2019, 153: 327–332
Ye B, Wen T, Chu Y. High-temperature oxidation behavior of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high-entropy ceramics in air. J Am Ceram Soc, 2019, 122: jace.16725
Kresse G, Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B, 1996, 54: 11169–11186
Kresse G, Hafner J. Ab initio molecular dynamics for liquid metals. Phys Rev B, 1993, 47: 558–561
Blöchl PE. Projector augmented-wave method. Phys Rev B, 1994, 50: 17953–17979
Perdew JP, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett, 1996, 77: 3865–3868
Jain A, Ong SP, Hautier G, et al. Commentary: the materials project: a materials genome approach to accelerating materials innovation. APL Mater, 2013, 1: 011002
Zunger A, Wei SH, Ferreira LG, et al. Special quasirandom structures. Phys Rev Lett, 1990, 65: 353–356
van de Walle A. Multicomponent multisublattice alloys, non-configurational entropy and other additions to the alloy theoretic automated toolkit. Calphad, 2009, 33: 266–278
Acknowledgements
This work was supported by the National Key Research and Development Program of China (2017YFB0703200), Young Elite Scientists Sponsorship Program by China Association for Science and Technology (2017QNRC001), and the National Natural Science Foundation of China (51802100 and 51972116).
Author information
Authors and Affiliations
Contributions
Chu Y conceived and designed the experiments. Chu Y and Liu H performed the experiments. Chu Y, Wen T, Liu H, Ye B and Liu D analyzed the data. Wen T performed the first-principles calculations. All authors commented on the manuscript.
Corresponding author
Additional information
Conflict of interest
The authors declare that they have no conflict of interest.
Tongqi Wen is currently a PhD student at Northwestern Polytechnical University and jointly supervised in Ames laboratory, USA and South China University of Technology. His research interests include computational modeling, crystal structure prediction and materials discovery.
Honghua Liu is currently a Master student at South China University of Technology. His research focuses on the fabrication and characterization of high-entropy ceramics and related powders.
Yanhui Chu is as an associate professor at South China University of Technology. He received his PhD degree in materials science from Northwestern Polytechnical University in 2016. From January 2014 to August 2015, he was a visiting scholar at Harvard University. His current research interests include high-temperature coatings, high-entropy ceramics and related nanomaterials.
Rights and permissions
About this article
Cite this article
Wen, T., Liu, H., Ye, B. et al. High-entropy alumino-silicides: a novel class of high-entropy ceramics. Sci. China Mater. 63, 300–306 (2020). https://doi.org/10.1007/s40843-019-9585-3
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s40843-019-9585-3