A Unified Computational Framework for the Rational Design of Glass-Ceramic Data Storage Media: Theorem, Validation, and Optimal Composition in the Ge-Sb-Se System

A Unified Computational Framework for the Rational Design of Glass-Ceramic Data Storage Media: Theorem, Validation, and Optimal Composition in the Ge-Sb-Se System | 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 A Unified Computational Framework for the Rational Design of Glass-Ceramic Data Storage Media: Theorem, Validation, and Optimal Composition in the Ge-Sb-Se System Satish Prajapati This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-9402066/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 heglobaldatadelugerequiresarchival storagesolutionsthatcombineultra-highdensity, millennial scaledurability,andnear-zeroenergyconsumption.Glass basedopticalstorage(MicrosoftProjectSilica)addressesthisneed,butoptimizingtheintrinsictrade-offbetweenwrite efficiencyηandcrystallization lifetimeτ remainsa fundamental challenge. Herewepresent aunifiedcomputational framework—Theorem1—that quantifies this trade-offusingvalidated efficiency-diffusivity(r=0.78,N=15, p<0.001) andstability-randomwalkmodelswith CALPHAD-inspired composition-property mappings. Applied to the binary Ge-Se (369 compo sitions) and ternary Ge-Sb-Se (2,500 compositions) systems, the binary system fails to achieve η ≥ 0.20 (ηmax = 0.169). In striking contrast, the ternary system exhibits a substantial fea sible region at high Ge content (75-80 mol%), low Sb content (2-5 mol%), and Se balance. Global optimization of the figure of merit Φ = η · lnτ identifies the optimal composition as Ge0.800Sb0.026Se0.174, yielding η = 0.2083 ± 0.0005 and τ = 1.56 × 1052 seconds—exceeding the minimum lifetime requirement by 42 orders of magnitude. Direct comparison with experimental literature validates our property models, with thermal diffusivity predictions agreeing within ±6% and activation energy predictions within ±6% of measured values. Sensitivity analysis confirms robustness to ±1 mol% compositional variations. This framework provides a computa tionally efficient digital twin tool for the accelerated discovery of next-generation optical storage materials. Materials Engineering Materials Theory and Modeling glass data storage computational materials science phase stability digital twin Project Silica chalcogenide glasses figure of merit Pareto optimization Ge-Sb-Se system Full Text Additional Declarations The authors declare no competing interests. Supplementary Files SupplementaryMaterial.pdf Supplementary Material 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. 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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-9402066","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":622140365,"identity":"d9efc53a-3577-46b8-ac43-39797c22d3de","order_by":0,"name":"Satish Prajapati","email":"data:image/png;base64,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","orcid":"https://orcid.org/0009-0006-3801-1137","institution":"Government College of Engineering And Ceramic Technology","correspondingAuthor":true,"prefix":"","firstName":"Satish","middleName":"","lastName":"Prajapati","suffix":""}],"badges":[],"createdAt":"2026-04-13 09:50:44","currentVersionCode":1,"declarations":{"humanSubjects":false,"vertebrateSubjects":true,"conflictsOfInterestStatement":false,"humanSubjectEthicalGuidelines":false,"humanSubjectConsent":false,"humanSubjectClinicalTrial":false,"humanSubjectCaseReport":false,"vertebrateSubjectEthicalGuidelines":true},"doi":"10.21203/rs.3.rs-9402066/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-9402066/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":106960745,"identity":"bc326b03-cd3f-41f5-ad4b-8a0572ba9e24","added_by":"auto","created_at":"2026-04-15 09:22:55","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":5997164,"visible":true,"origin":"","legend":"","description":"","filename":"FullManuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-9402066/v1_covered_f607bbfe-10ba-47ee-b36c-ccdba5ad0346.pdf"},{"id":106867145,"identity":"462160c9-d56e-44ec-9c58-4eef44f665ea","added_by":"auto","created_at":"2026-04-14 09:18:50","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":3040853,"visible":true,"origin":"","legend":"\u003cp\u003eSupplementary Material\u003c/p\u003e","description":"","filename":"SupplementaryMaterial.pdf","url":"https://assets-eu.researchsquare.com/files/rs-9402066/v1/f33edd24f6ce6e24584faad2.pdf"}],"financialInterests":"The authors declare no competing interests.","formattedTitle":"\u003cp\u003eA Unified Computational Framework for the Rational Design of Glass-Ceramic Data Storage Media: Theorem, Validation, and Optimal Composition in the Ge-Sb-Se System\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":true,"highlight":"","institution":"Government College of Engineering And Ceramic Technology","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":"glass data storage, computational materials science, phase stability, digital twin, Project Silica, chalcogenide glasses, figure of merit, Pareto optimization, Ge-Sb-Se system","lastPublishedDoi":"10.21203/rs.3.rs-9402066/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-9402066/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eheglobaldatadelugerequiresarchival storagesolutionsthatcombineultra-highdensity, millennial scaledurability,andnear-zeroenergyconsumption.Glass basedopticalstorage(MicrosoftProjectSilica)addressesthisneed,butoptimizingtheintrinsictrade-offbetweenwrite efficiencyηandcrystallization lifetimeτ remainsa fundamental challenge. Herewepresent \u0026nbsp;aunifiedcomputational framework—Theorem1—that quantifies this trade-offusingvalidated efficiency-diffusivity(r=0.78,N=15, p\u0026lt;0.001) andstability-randomwalkmodelswith CALPHAD-inspired composition-property mappings. Applied to the binary Ge-Se (369 compo sitions) and ternary Ge-Sb-Se (2,500 compositions) systems, the binary system fails to achieve η ≥ 0.20 (ηmax = 0.169). In striking contrast, the ternary system exhibits a substantial fea sible region at high Ge content (75-80 mol%), low Sb content (2-5 mol%), and Se balance. Global optimization of the figure of merit Φ = η · lnτ identifies the optimal composition as Ge0.800Sb0.026Se0.174, yielding η = 0.2083 ± 0.0005 and τ = 1.56 × 1052 seconds—exceeding the minimum lifetime requirement by 42 orders of magnitude. 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