A molecular dynamics investigation into the interaction between diamond and silicon asperities in the nanofinishing process

A molecular dynamics investigation into the interaction between diamond and silicon asperities in the nanofinishing process | 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 molecular dynamics investigation into the interaction between diamond and silicon asperities in the nanofinishing process Harish Jigajinni, Pranav Pandey, Bharat Singh, Anuj Sharma This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7828643/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 7 You are reading this latest preprint version Abstract The nanoscale finishing of Silicon, vital for semiconductor and optical applications, poses challenges in terms of material removal mechanisms, tool wear and surface degradation. It is difficult to study the process experimentally as the asperity interactions take place at the nanoscale; therefore, the current research employs molecular dynamics (MD) simulation to analyse the material removal and tool wear mechanisms in nanoscale finishing of Silicon (Si) using a double asperity model. The diamond abrasive is used to interact with the Si asperity. The study reveals that during the finishing process, phase transformation of Si asperity takes place, which facilitates material removal. The force pattern varies during the interaction between asperities. It was further analysed that high compressive stress is responsible for the polymorphic transformations in the Si asperity. Furthermore, the radial distribution function plot reveals a transformation in the diamond abrasive, which is a likely cause of wear. Nano-finishing Molecular Dynamics Simulation Polishing Wear Surface Material removal mechanism Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Under Review Version 1 posted Editorial decision: Revision requested 10 Jan, 2026 Reviews received at journal 17 Dec, 2025 Reviewers agreed at journal 06 Dec, 2025 Reviewers invited by journal 02 Dec, 2025 Editor assigned by journal 12 Oct, 2025 Submission checks completed at journal 12 Oct, 2025 First submitted to journal 10 Oct, 2025 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-7828643","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":554370026,"identity":"fd98d529-2af8-4a3e-a36d-27c6b4fb9cb2","order_by":0,"name":"Harish Jigajinni","email":"","orcid":"","institution":"Birla Institute of Technology and Science, Pilani","correspondingAuthor":false,"prefix":"","firstName":"Harish","middleName":"","lastName":"Jigajinni","suffix":""},{"id":554370027,"identity":"104d511d-d052-4141-9634-93bb9902251d","order_by":1,"name":"Pranav Pandey","email":"","orcid":"","institution":"Birla Institute of Technology and 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