Revisiting the effect of shear stress on the γ→α phase transition of Cerium under shock loading

Revisiting the effect of shear stress on the γ→α phase transition of Cerium under shock loading | 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 Research Article Revisiting the effect of shear stress on the γ → α phase transition of Cerium under shock loading Kai Zhao, Yunjun Gu, Fan Zhao, Qifeng Chen This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-2667654/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 The dynamic response of Cerium under high pressure and temperature is not clear due to the complexity of its phase diagram. Using large-scale atomistic simulations, we report the γ→α phase transition (PT) of Ce under shock loading. The PT behaviors predicted by present simulations are in good agreement with previous experiments, thus confirm the validity of the interatomic potential. While the simulated wave velocities of elastic precursor are larger than experiments, the PT wave velocities agree well with the LASL data. In the T - P phase diagram, the Hugoniot states generally agree with the lower-pressure extrapolation of the higher-pressure experimental data, but differ significantly from each other orientations. By examining the ratio between the shear stress and hydrostatic stress, it is found that the anisotropic response of PT kinetics might be dependent on the variance of shear stress with lattice orientations. The present study suggests that the effect of shear stress usually ignored in shock wave experiments has to be treated seriously when studying the low-pressure γ→α PT of Ce. Cerium Phase transition Molecular dynamics Shock wave Hugoniot Full Text Additional Declarations The Supplementary Information is not available with this version. 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. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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-2667654","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":181683157,"identity":"2a5dc28d-e87e-4585-b3b2-06fc87532474","order_by":0,"name":"Kai Zhao","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAABC0lEQVRIie3MMUvEMBTA8VcKnXJ0bQnUr9CjcIcc1s8SMriJ4CI4+I5CbhHnE/wQAUF0S8jQRXAVzqUITm6CeHqDCYKIkNJRMH9KkybvV4BQ6A+WQYTugRQ0/jgdQnIcTmyOlOr3qa98YTBaX9dFpc385eD9YWsKsV4RqPd9hBKGkN/yaqJ0Q8/PnsY3mPAZAX7oIwVYMhYxu1Ia6ejURFKRCSWgGPpI2iEwccIuUTcfluxKlb72EprZKy0Mk/ZNyZvdKJL0knzZoZ6LtsqUFrMRGi5NUm1flNxLsru9rluL4yJdto8rsjE7sm26++ej2ktc6gvbJRJ2E7uvsmf+u9T9dTNkMhQKhf5bn7MdX74WqrBRAAAAAElFTkSuQmCC","orcid":"","institution":"Jiangnan University","correspondingAuthor":true,"submittingAuthor":false,"prefix":"","firstName":"Kai","middleName":"","lastName":"Zhao","suffix":""},{"id":181683158,"identity":"b419ab2b-20d4-4745-aee0-93965f659115","order_by":1,"name":"Yunjun Gu","email":"","orcid":"","institution":"China Academy of Engineering Physics","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Yunjun","middleName":"","lastName":"Gu","suffix":""},{"id":181683159,"identity":"ccf82c39-2bd0-4416-960c-034cb520874c","order_by":2,"name":"Fan Zhao","email":"","orcid":"","institution":"China Aerodynamics Research and Development Center","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Fan","middleName":"","lastName":"Zhao","suffix":""},{"id":181683160,"identity":"6440e898-e1c4-4ee5-b64f-8f9b83ffd91c","order_by":3,"name":"Qifeng Chen","email":"","orcid":"","institution":"Southwest University of Science and Technology","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Qifeng","middleName":"","lastName":"Chen","suffix":""}],"badges":[],"createdAt":"2023-03-08 03:18:41","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-2667654/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-2667654/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":34033721,"identity":"47074c8f-8879-4889-9ad8-717294f37718","added_by":"auto","created_at":"2023-03-09 18:45:57","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1259940,"visible":true,"origin":"","legend":"","description":"","filename":"Structuralphasetransitionv9.pdf","url":"https://assets-eu.researchsquare.com/files/rs-2667654/v1/a63b8fa929a1abe0fafcab90.pdf"}],"financialInterests":"\u003cp\u003eThe Supplementary Information is not available with this version.\u003c/p\u003e","formattedTitle":"\u003cp\u003e\u003cstrong\u003eRevisiting the effect of shear stress on the \u003c/strong\u003e\u003cem\u003e\u003cstrong\u003eγ\u003c/strong\u003e\u003c/em\u003e\u003cstrong\u003e→\u003c/strong\u003e\u003cem\u003e\u003cstrong\u003eα\u003c/strong\u003e\u003c/em\u003e\u003cstrong\u003e phase transition of Cerium under shock loading\u003c/strong\u003e\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"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":"Cerium, Phase transition, Molecular dynamics, Shock wave, Hugoniot","lastPublishedDoi":"10.21203/rs.3.rs-2667654/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-2667654/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThe dynamic response of Cerium under high pressure and temperature is not clear due to the complexity of its phase diagram. Using large-scale atomistic simulations, we report the γ→α phase transition (PT) of Ce under shock loading. The PT behaviors predicted by present simulations are in good agreement with previous experiments, thus confirm the validity of the interatomic potential. While the simulated wave velocities of elastic precursor are larger than experiments, the PT wave velocities agree well with the LASL data. In the \u003cem\u003eT\u003c/em\u003e-\u003cem\u003eP \u003c/em\u003ephase diagram, the Hugoniot states generally agree with the lower-pressure extrapolation of the higher-pressure experimental data, but differ significantly from each other orientations. By examining the ratio between the shear stress and hydrostatic stress, it is found that the anisotropic response of PT kinetics might be dependent on the variance of shear stress with lattice orientations. The present study suggests that the effect of shear stress usually ignored in shock wave experiments has to be treated seriously when studying the low-pressure γ→α PT of Ce.\u003c/p\u003e","manuscriptTitle":"Revisiting the effect of shear stress on the γ→α phase transition of Cerium under shock loading","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2023-03-09 18:45:53","doi":"10.21203/rs.3.rs-2667654/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":"fd61f6fa-dcab-4fa1-9b76-adc5803afe83","owner":[],"postedDate":"March 9th, 2023","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2023-03-09T18:45:53+00:00","versionOfRecord":[],"versionCreatedAt":"2023-03-09 18:45:53","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-2667654","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-2667654","identity":"rs-2667654","version":["v1"]},"buildId":"FbvkV6FR0MCFSLy54lSbu","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}