Size Dependence of Atomic Cluster Properties in Mesoscopic Range (Monte Carlo Modeling)

Size Dependence of Atomic Cluster Properties in Mesoscopic Range (Monte Carlo Modeling) | 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 Size Dependence of Atomic Cluster Properties in Mesoscopic Range (Monte Carlo Modeling) Maryna Ratner, Dmitriy Naplekov, Volodymyr Yanovsky This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6602622/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 A modified Monte Carlo method was developed that mimics phase transitionss in atomic clusters and implemented to obtain for the first time via computer modeling size dependencies of an argon cluster properties in the mesoscopic size range from 2000 to 12000 atoms and in temperature range of 20-80K. Thermodynamics functions were calculated and equilibrium phase state found for these temperatures. It was shown that phase transition between solid and liquid states of an argon cluster of such size occurs abruptly and the liquid and solid states practically do not coexist, in contrast to clusters of significantly smaller sizes where the phase transition is blurred. Three criteria, such as melting temperature, mean atom displacement and mean cluster volume fluctuations show in accordance that cluster thermal properties become close to that of macroscopic body at cluster size about 10000 atoms cluster melting temperature Monte-Carlo modeling Mesoscopic range Full Text Additional Declarations No competing interests reported. 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. 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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-6602622","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":454318431,"identity":"8d3c9251-5898-43c6-bbc1-e9ad019fa3a4","order_by":0,"name":"Maryna Ratner","email":"data:image/png;base64,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","orcid":"","institution":"NAS Ukraine","correspondingAuthor":true,"prefix":"","firstName":"Maryna","middleName":"","lastName":"Ratner","suffix":""},{"id":454318432,"identity":"4e4b4b9a-29db-4c6e-bd41-e506b7234f7f","order_by":1,"name":"Dmitriy Naplekov","email":"","orcid":"","institution":"NAS Ukraine","correspondingAuthor":false,"prefix":"","firstName":"Dmitriy","middleName":"","lastName":"Naplekov","suffix":""},{"id":454318433,"identity":"f1c68bc8-c5c0-4062-8bc2-a6a1961a9674","order_by":2,"name":"Volodymyr Yanovsky","email":"","orcid":"","institution":"NAS Ukraine","correspondingAuthor":false,"prefix":"","firstName":"Volodymyr","middleName":"","lastName":"Yanovsky","suffix":""}],"badges":[],"createdAt":"2025-05-06 11:38:34","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-6602622/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-6602622/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":83839183,"identity":"a40074d6-50aa-43c5-b88d-6658d69afc0b","added_by":"auto","created_at":"2025-06-03 13:47:13","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":738612,"visible":true,"origin":"","legend":"","description":"","filename":"Ratner.pdf","url":"https://assets-eu.researchsquare.com/files/rs-6602622/v1_covered_5b8ebe6b-45e5-42e7-8c61-255b78ee894c.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Size Dependence of Atomic Cluster Properties in Mesoscopic Range (Monte Carlo Modeling)","fulltext":[],"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":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":"cluster, melting temperature, Monte-Carlo modeling, Mesoscopic range","lastPublishedDoi":"10.21203/rs.3.rs-6602622/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-6602622/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eA modified Monte Carlo method was developed that mimics phase transitionss in atomic clusters and implemented to obtain for the first time via computer modeling size dependencies of an argon cluster properties in the mesoscopic size range from 2000 to 12000 atoms and in temperature range of 20-80K. 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