Revolutionary High-entropy Zr-Y-Yb-Ta-Nb-O Oxides for Next Generation Thermal Barrier Coating Applications

Revolutionary High-entropy Zr-Y-Yb-Ta-Nb-O Oxides for Next Generation Thermal Barrier Coating Applications | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Revolutionary High-entropy Zr-Y-Yb-Ta-Nb-O Oxides for Next Generation Thermal Barrier Coating Applications Yao Yao, Fan Yang, Xiaofeng Zhao, Ping Xiao This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-152197/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract We report a revolutionary ceramic material with exceptional high temperature stability and superior thermo-mechanical properties for next generation thermal barrier coatings (TBCs) for aeroengines. The multicomponent oxides (Zr 1 − 4x Y x Yb x Ta x Nb x O 2 ) designed via a high entropy concept could exhibit a double tetragonal phase. The optimized composition breaks the limitation of intrinsic brittleness in previously reported TBC candidate materials and shows a superior toughness up to ~ 4.59 MPa m 1/2 due to ferroelastic and phase transformation toughening mechanisms. It also shows a remarkable high temperature stability at 1600 ºC, which is almost 400 ºC higher than the state-of-the-art yttria stabilized zirconia TBC material. In addition, it also exhibits a significantly lower thermal conductivity (~ 1.37 W∙m − 1 ∙K − 1 at 900 ºC) and a higher coefficient of thermal expansion (~ 11.3 × 10 − 6 K − 1 at 1000 ºC), as well as excellent corrosion resistance to molten silicate (~ 2.9 µm/h at 1300 ºC). This work provides a new approach to design ceramics by extending the high-entropy concept to both medium-entropy and high-entropy compositions searching for multifunctional properties. Ceramics Materials Theory and Modeling Thermal barrier coating High entropy Toughness Thermal conductivity. Figures Figure 1 Figure 2 Figure 3 Figure 4 Full Text Additional Declarations There is NO Competing Interest. Supplementary Files Supplementinformation.docx Supplement information Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-152197","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":9980081,"identity":"0371833c-9a83-4770-8aa8-2d6736e6d6a5","order_by":0,"name":"Yao Yao","email":"","orcid":"","institution":"Shanghai Jiao Tong University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Yao","middleName":"","lastName":"Yao","suffix":""},{"id":9980082,"identity":"771b130d-3fff-4667-a45e-18387eb24d6c","order_by":1,"name":"Fan Yang","email":"","orcid":"","institution":"Shanghai Jiao Tong University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Fan","middleName":"","lastName":"Yang","suffix":""},{"id":9980083,"identity":"90200ecf-6ddb-416b-a7ea-fb5a2ee387cb","order_by":2,"name":"Xiaofeng Zhao","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAABD0lEQVRIie3RsUrDQBzH8b8c/F2OZr2QwVc4CRyKkr5K5YYurUuWDEUigWzuFQs+Q9/gwkGyFFwFHRIEJwddgkMoJpqAS5JV8L5w5IbfhwwHYDL9xUh9gubC6vMOCN19mOza2cEakI0T+EUIbdeDhGekyFXw7N3fRcXLeTW54ookTxS8yz5iR+hytXuV15vUdZcxMq5QnlGQfh+xCAjnI9aSsJlwlmFDqHAoqIuwhyA5LFmy1xLZvHROqoZY5SCxCBUsCbVH2UI4gN9/wUFiR9TnKtUzxhb+8U2M9q1G93TDZS/hD9k2Vys9PVrPt/lnlVqTLCoe3wKvl3R1g/TncYGP7Oum7Xc1PjWZTKZ/1xd0QlIuY3NHjQAAAABJRU5ErkJggg==","orcid":"","institution":"Shanghai Jiao Tong University","correspondingAuthor":true,"submittingAuthor":false,"prefix":"","firstName":"Xiaofeng","middleName":"","lastName":"Zhao","suffix":""},{"id":9980084,"identity":"aed4d8be-c98e-4990-8d6a-8a7b7aebcb5b","order_by":3,"name":"Ping Xiao","email":"","orcid":"","institution":"Shanghai Jiao Tong University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Ping","middleName":"","lastName":"Xiao","suffix":""}],"badges":[],"createdAt":"2021-01-21 06:51:07","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-152197/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-152197/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":5554298,"identity":"80d397c1-8c50-49cd-bb9c-871e96e533bb","added_by":"auto","created_at":"2021-02-02 19:41:25","extension":"jpg","order_by":1,"title":"Figure 1","display":"","copyAsset":false,"role":"figure","size":123060,"visible":true,"origin":"","legend":"Phase identification. (a) XRD patterns of Zr1-4xYxYbxTaxNbxO2 oxides and cubic phase HEOs (site A in the crystal structure ABO4 represents Y or Yb, and site B represents Ta or Nb); (b) Slow scan (0.5o min-1) of the 2θ range between 27o and 32o to distinguish the monoclinic and tetragonal phase; (c) BSE image of the grain with the double tetragonal phases in the t-4 sample; (d) Atomic-resolution HAADF STEM image of the interphase boundary between the T-ABO4(ZrO2) and t-ZrO2(ABO4) phase (the inset figure is an expanded view of the interphase boundary); (e) Crystal structure of T-ABO4(ZrO2) and t-ZrO2(ABO4) created using VESTA software package; (f) The [1(_)11]ZAP of T-ABO4(ZrO2) and (g) the [111]ZAP of t-ZrO2(ABO4).","description":"","filename":"1.jpg","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1/b4feb7457fc27ff99245e28e.jpg"},{"id":5554237,"identity":"e0930aad-ba61-43c8-b287-5c74ed4f30ab","added_by":"auto","created_at":"2021-02-02 19:38:25","extension":"jpg","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":91977,"visible":true,"origin":"","legend":"Thermal properties and CMAS resistance. (a) Thermal conductivity of Zr1-4xYxYbxTaxNbxO2 oxides, compared with YSZ and ZYTO; (b) Thermal expansion coefficient of Zr1-4xYxYbxTaxNbxO2 oxides, compared with YSZ; (c) Thermal conductivity as a function of thermal expansion coefficient (the blue points are data of Zr1-4xYxYbxTaxNbxO2 oxides and the red points are c-HEOs); (d) XRD patterns of t-4 sample after heat treated at 1600 ºC with different times (the inset is detailed XRD patterns at 27~32º); (e) CMAS infiltration depth of t-4 sample at 1300 ºC for different corrosion times.","description":"","filename":"2.jpg","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1/d5c5584e60bf2268f7a9b409.jpg"},{"id":5554239,"identity":"9f7c38b2-5fd2-4e9d-a2f8-0a39a47fd024","added_by":"auto","created_at":"2021-02-02 19:38:25","extension":"jpg","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":157570,"visible":true,"origin":"","legend":"Ferroelastic toughening. (a) Fracture toughness of Zr1-4xYxYbxTaxNbxO2 oxides; (b) SE images of indentation (10 N) imprint on the cross-section of thermal etched t-4 sample; (c) SE and BSE images of enlarged domain switching area of t-ZrO2(ABO4) and T-ABO4(ZrO2); (d) Ferroelastic domain switching observed by AFM; (e) Bright field TEM image along [111]ZAP of t-4 sample around an indentation crack; (f) The [111]ZAP SAD patterns of the t-ZrO2(ABO4) matrix phase and ferroelastic domain process zone (the bottom SAD pattern corresponding to the regions “g” in the figure e); (g) Bright field TEM image of the ferroelastic domain process zone corresponding to the regions “g” in the figure e. ","description":"","filename":"3.jpg","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1/9a4d8b5fefc2d778f4e79847.jpg"},{"id":5554238,"identity":"0d483b11-5b37-4117-93ac-6c07cd6b8c2c","added_by":"auto","created_at":"2021-02-02 19:38:25","extension":"jpg","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":96452,"visible":true,"origin":"","legend":"Twining deformations. (a) Bright-field STEM image showing the crack growth path of intragranular fracture; (b) HAADF, Dark-field STEM images and EDS maps of phase transformation area; (c) and (d) Atomic-resolution HAADF STEM images showing the structure of twining boundary of Twin 1 and 2 taken along [111] zone axis in the figure a (the insert is \u003c111\u003e SAD patterns); (e) Enlarged atomic-resolution HAADF STEM images of Twin 2 area in the figure d.","description":"","filename":"4.jpg","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1/da77e0b6b20b39ba17ed5bab.jpg"},{"id":13580345,"identity":"c86b6b27-f6a8-4ed6-b906-65282759dd97","added_by":"auto","created_at":"2021-09-17 04:23:16","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1363555,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1_covered.pdf"},{"id":9120641,"identity":"1ee05834-8344-45ad-88b7-6815c0a90ecc","added_by":"auto","created_at":"2021-05-13 01:56:29","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1360099,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1_covered.pdf"},{"id":5554426,"identity":"be10a619-f506-4fda-9131-f99ec745def0","added_by":"auto","created_at":"2021-02-02 19:44:28","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1099659,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1_stamped.pdf"},{"id":5554241,"identity":"c012bc98-6d9c-4165-a084-9dd994824ae4","added_by":"auto","created_at":"2021-02-02 19:38:25","extension":"docx","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":7117457,"visible":true,"origin":"","legend":"Supplement information","description":"","filename":"Supplementinformation.docx","url":"https://assets-eu.researchsquare.com/files/rs-152197/v1/71bf346f9df8c976cd57b4fe.docx"}],"financialInterests":"There is \u003cb\u003eNO\u003c/b\u003e Competing Interest.","formattedTitle":"Revolutionary High-entropy Zr-Y-Yb-Ta-Nb-O Oxides for Next Generation Thermal Barrier Coating Applications","fulltext":[{"header":"Full Text","content":"\u003cp\u003eThis preprint is available for \u003ca href='/article/rs-152197/latest.pdf' target='_blank'\u003edownload as a PDF\u003c/a\u003e.\u003c/p\u003e"}],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":false,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Thermal barrier coating, High entropy, Toughness, Thermal conductivity.","lastPublishedDoi":"10.21203/rs.3.rs-152197/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-152197/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eWe report a revolutionary ceramic material with exceptional high temperature stability and superior thermo-mechanical properties for next generation thermal barrier coatings (TBCs) for aeroengines. The multicomponent oxides (Zr\u003csub\u003e1\u0026thinsp;\u0026minus;\u0026thinsp;4x\u003c/sub\u003eY\u003csub\u003ex\u003c/sub\u003eYb\u003csub\u003ex\u003c/sub\u003eTa\u003csub\u003ex\u003c/sub\u003eNb\u003csub\u003ex\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003e) designed via a high entropy concept could exhibit a double tetragonal phase. The optimized composition breaks the limitation of intrinsic brittleness in previously reported TBC candidate materials and shows a superior toughness up to ~\u0026thinsp;4.59 MPa m\u003csup\u003e1/2\u003c/sup\u003e due to ferroelastic and phase transformation toughening mechanisms. It also shows a remarkable high temperature stability at 1600 \u0026ordm;C, which is almost 400 \u0026ordm;C higher than the state-of-the-art yttria stabilized zirconia TBC material. In addition, it also exhibits a significantly lower thermal conductivity (~\u0026thinsp;1.37 W∙m\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e∙K\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e at 900 \u0026ordm;C) and a higher coefficient of thermal expansion (~\u0026thinsp;11.3 \u0026times; 10\u003csup\u003e\u0026minus;\u0026thinsp;6\u003c/sup\u003e K\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e at 1000 \u0026ordm;C), as well as excellent corrosion resistance to molten silicate (~\u0026thinsp;2.9 \u0026micro;m/h at 1300 \u0026ordm;C). This work provides a new approach to design ceramics by extending the high-entropy concept to both medium-entropy and high-entropy compositions searching for multifunctional properties.\u003c/p\u003e","manuscriptTitle":"Revolutionary High-entropy Zr-Y-Yb-Ta-Nb-O Oxides for Next Generation Thermal Barrier Coating Applications","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2021-02-02 19:38:23","doi":"10.21203/rs.3.rs-152197/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"9ec066b7-d4e7-4b96-bf9b-037cd04a5df2","owner":[],"postedDate":"February 2nd, 2021","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[{"id":2209028,"name":"Ceramics"},{"id":2209029,"name":"Materials Theory and Modeling"}],"tags":[],"updatedAt":"2021-05-13T01:56:15+00:00","versionOfRecord":[],"versionCreatedAt":"2021-02-02 19:38:23","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-152197","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-152197","identity":"rs-152197","version":["v1"]},"buildId":"WrCJVZZCHTDjtuVLN7oU0","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}