Modeling and Experimental Study on the Stress Mitigation Mechanism of Nanocrystalline Silicon Anodes under Geometric Anisotropy

Modeling and Experimental Study on the Stress Mitigation Mechanism of Nanocrystalline Silicon Anodes under Geometric Anisotropy | 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 Modeling and Experimental Study on the Stress Mitigation Mechanism of Nanocrystalline Silicon Anodes under Geometric Anisotropy Feng Zhang, Huanjian Li, Guo Li, Dasheng Zhu, Wenchun Jiang, Hao Su This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-9037069/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 To address structural instabilities arising from the massive volume fluctuations in silicon anodes during charge-discharge processes, this paper established a three-dimensional electrochemical-mechanical coupled model for an idealized ellipsoidal array without a spherical assumption. Simulation results show that although the geometric anisotropy of ellipsoidal particles leads to stress concentration at high-curvature regions, the strong plasticity and superior deformability of the nanoparticles effectively control this problem. Electrochemical data show consistency with the simulated curves; the nanocrystalline silicon electrode exhibits a nominal discharge capacity of 2555 mAh·g⁻¹ and a Coulombic efficiency of 61.7% at a current density of 0.1 A·g⁻¹. After 200 cycles at a current density of 1 A·g⁻¹, the remaining capacity is 771.7 mAh·g⁻¹, with the Coulombic efficiency exceeding 99.6%. Based on these findings, a link is established between the stress mitigation mechanism—relying on low yield stress—and the improvement of battery capacity, offering theoretical insights into the optimization of transport kinetics and stability of silicon anodes through structural reorganization. Nanocrystalline silicon Expansion stress Anode material Stress mitigation Cycling stability 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. 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-9037069","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":608465580,"identity":"1d341437-3cd8-40ce-ae57-bc50d70d4630","order_by":0,"name":"Feng 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Simulation results show that although the geometric anisotropy of ellipsoidal particles leads to stress concentration at high-curvature regions, the strong plasticity and superior deformability of the nanoparticles effectively control this problem. Electrochemical data show consistency with the simulated curves; the nanocrystalline silicon electrode exhibits a nominal discharge capacity of 2555 mAh\u0026middot;g⁻\u0026sup1; and a Coulombic efficiency of 61.7% at a current density of 0.1 A\u0026middot;g⁻\u0026sup1;. After 200 cycles at a current density of 1 A\u0026middot;g⁻\u0026sup1;, the remaining capacity is 771.7 mAh\u0026middot;g⁻\u0026sup1;, with the Coulombic efficiency exceeding 99.6%. 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