AI-Guided Design of Multifunctional Epoxy Hybrid Nanocomposites with MWCNTs– Nanoclay Networks for Next-Generation Fire-Safe and Self-Sensing Coatings

AI-Guided Design of Multifunctional Epoxy Hybrid Nanocomposites with MWCNTs– Nanoclay Networks for Next-Generation Fire-Safe and Self-Sensing Coatings | 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 AI-Guided Design of Multifunctional Epoxy Hybrid Nanocomposites with MWCNTs– Nanoclay Networks for Next-Generation Fire-Safe and Self-Sensing Coatings Tuan Anh Nguyen, Huu Trung Dang, Thi Thu Trang Bui This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7677123/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 9 You are reading this latest preprint version Abstract This study reports the AI-guided design of epoxy/MWCNT/nanoclay hybrid nanocomposites that achieve a unique integration of structural reinforcement, flame retardancy, optical shielding, electrical conductivity, and multifunctional sensing. Response surface methodology (RSM) and Random Forest (RF) models were combined to explore a four-factor Box–Behnken design across 29 experimental runs. The optimized hybrids (≈ 0.8–1.0 wt% CNT and 3–4 wt% nanoclay) demonstrated superior fire resistance with limiting oxygen index (LOI) > 29% (vs. ~23% for neat epoxy) and peak heat release rate (pHRR) reduced to ~ 760 kW·m⁻² (down from ~ 1040 kW·m⁻²). Mechanical reinforcement was confirmed with tensile strength increasing to ~ 75 MPa and flexural modulus exceeding 4.5 GPa, representing ~ 25–30% gains over neat epoxy. Optical and barrier functions were enhanced with UV-blocking efficiencies above 90% and char yields up to 20%. Electrical conductivity improved by 4–5 orders of magnitude, stabilizing at ~ 10⁻³ S·m⁻¹, while multifunctional sensing was validated with thermal sensitivity above 0.04 ΔR/R·°C⁻¹ and NH₃ gas response approaching 0.11 ΔR/R. Long-term durability tests confirmed retention of > 80% of mechanical, fire, and electrical properties after 100 h UV irradiation, 200°C thermal aging, and 10⁵ cyclic loads. XPS and XRD analyses revealed strong interfacial bonding (C–O, Si–O) and exfoliated clay structures that underpin multifunctionality. AI-guided models achieved predictive accuracy above R² = 0.98, reducing trial-and-error efforts by nearly 50%. Collectively, these results establish the developed epoxy/MWCNT/nanoclay hybrids as next-generation multifunctional coatings with direct applicability to aerospace, automotive, and electronic protection. Epoxy nanocomposites Multi-walled carbon nanotubes Nanoclay Flame retardancy Self-sensing AI-guided design Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Under Review Version 1 posted Editorial decision: Revision requested 10 Apr, 2026 Reviews received at journal 10 Mar, 2026 Reviewers agreed at journal 01 Mar, 2026 Reviews received at journal 24 Nov, 2025 Reviewers agreed at journal 23 Nov, 2025 Reviewers invited by journal 23 Nov, 2025 Editor assigned by journal 29 Sep, 2025 Submission checks completed at journal 26 Sep, 2025 First submitted to journal 22 Sep, 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. 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-7677123","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":518773105,"identity":"8ff4b71e-4d5e-44ec-a8e8-146b82a6934f","order_by":0,"name":"Tuan Anh Nguyen","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAAu0lEQVRIiWNgGAWjYFACHiCuOMDAwAxlE6flwBmStRxsO4CwkSDgn9177PHHeXfkDY4zMD5428aQuJ2QFok759INDm57ZrjhMAOz4Vyglp0NhPTcyDGTOLjtMCNQC5s0bxuDscEBAjrkwVrmHLYHamH/TZQWA7CWhsOJIFuYgVrkCGoxBGk5c+xw8szDjM2Sc85JENYiB9JSUXPYtu/84YMf3pTZ8BDUggQYG4CEBPHqR8EoGAWjYBTgBgBvTEM0dbWfnwAAAABJRU5ErkJggg==","orcid":"","institution":"Hanoi University of Industry","correspondingAuthor":true,"prefix":"","firstName":"Tuan","middleName":"Anh","lastName":"Nguyen","suffix":""},{"id":518773106,"identity":"3299a9b4-f475-4bc0-9d63-dc7a716ebdb5","order_by":1,"name":"Huu Trung Dang","email":"","orcid":"","institution":"Hanoi University of Industry","correspondingAuthor":false,"prefix":"","firstName":"Huu","middleName":"Trung","lastName":"Dang","suffix":""},{"id":518773107,"identity":"d3e93e83-05fb-4399-b6a2-0f5319412065","order_by":2,"name":"Thi Thu Trang Bui","email":"","orcid":"","institution":"Hanoi University of Industry","correspondingAuthor":false,"prefix":"","firstName":"Thi","middleName":"Thu Trang","lastName":"Bui","suffix":""}],"badges":[],"createdAt":"2025-09-22 13:38:57","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-7677123/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-7677123/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":92115596,"identity":"b2857d58-0eb1-4136-92d3-4a961158d068","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"docx","order_by":0,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":7671832,"visible":true,"origin":"","legend":"","description":"","filename":"AI.docx","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/13ed43541716638f90cf1207.docx"},{"id":92115574,"identity":"fbbfeb0c-abb8-4af0-909d-2bb0587afe4d","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"json","order_by":1,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":5698,"visible":true,"origin":"","legend":"","description":"","filename":"8e45856079da4f6589d0bfa6d5d574bf.json","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/41a0f891276646e89938bc45.json"},{"id":92115575,"identity":"1e351dab-bf30-479a-9819-1822c836a100","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"xml","order_by":2,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":203916,"visible":true,"origin":"","legend":"","description":"","filename":"8e45856079da4f6589d0bfa6d5d574bf1enriched.xml","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/a9bcde1b96b69ae1bdc5a516.xml"},{"id":92115573,"identity":"96ee8fea-e4dc-45cf-bc08-08e24269d2eb","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":3,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":277914,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage1.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/78d8712a1fabecd36390188a.jpeg"},{"id":92116115,"identity":"3a05ecbd-248b-454d-ad2c-7824f28acce8","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"jpeg","order_by":4,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":166939,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage10.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/afaf8bc506e0af1f53a73061.jpeg"},{"id":92115578,"identity":"7c2b64cf-4ecd-4ecc-b81d-03dc240bc1ce","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":5,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":681787,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage11.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/253ff004301ee2c81b58e650.jpeg"},{"id":92116179,"identity":"0114c5b5-f24b-4ff2-b7d8-de476bd54c0e","added_by":"auto","created_at":"2025-09-24 19:49:40","extension":"jpeg","order_by":6,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":339318,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage12.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/fc88ab88913994ff52e3b125.jpeg"},{"id":92116114,"identity":"2d38e354-95ea-44e4-96b5-3b8a03b142d9","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"jpeg","order_by":7,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":308858,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage13.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/0b58b925cc83668224c5f7ae.jpeg"},{"id":92115579,"identity":"fcbab955-dae5-4726-96da-38059d365f92","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":8,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":683559,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage14.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/35fe69eaf9cfc13ccaea39d8.jpeg"},{"id":92115594,"identity":"5ea3e516-fba4-4919-9377-b2396d5c18a5","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":9,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":318874,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage15.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/31060d0c74cecf7ff87bd3c9.jpeg"},{"id":92115581,"identity":"b82e2c93-8251-4b08-83c9-6faadb5997b9","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":10,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":575358,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage16.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/03f73ec0dc2c4cef4b07b03f.jpeg"},{"id":92115576,"identity":"bdbfd375-92f5-4997-8f94-61fceba88cb4","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":11,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":1296931,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage17.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/da86111a22e179c174fa1b7d.jpeg"},{"id":92115587,"identity":"9e137c72-56ac-42e7-bb07-562248e7d6aa","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":12,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":666289,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage18.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/dc5796c92d55b97efe712e47.jpeg"},{"id":92116116,"identity":"e4e9140f-4ba3-49b0-9873-8924d26d3674","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"png","order_by":13,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":344334,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage19.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/5f0c30b263a37048e3b1cc02.png"},{"id":92115591,"identity":"01b1b67e-637a-4bdc-aa4e-29550ce2f331","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":14,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":651545,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage2.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/f9fcefb2801af8dc37161794.jpeg"},{"id":92116506,"identity":"5fda567a-e1b5-4942-8d59-35917c5c2026","added_by":"auto","created_at":"2025-09-24 19:57:40","extension":"jpeg","order_by":15,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":248319,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage3.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/c623693ab515cdd472187c86.jpeg"},{"id":92116121,"identity":"9960dfe6-5a2b-4267-955a-f8f65b8a4ebf","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"jpeg","order_by":16,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":666052,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage4.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/65c5d11a0427d1b2105a6698.jpeg"},{"id":92115589,"identity":"a1eae809-a4dd-46d4-bce4-a03625eef5b6","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":17,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":694301,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage5.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/cc507e3d9092a91402198166.jpeg"},{"id":92116507,"identity":"80b47c06-3132-4480-ae80-d68b4be6ef53","added_by":"auto","created_at":"2025-09-24 19:57:40","extension":"jpeg","order_by":18,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":660516,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage6.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/ae15a862e22e3c3cffcd7abd.jpeg"},{"id":92115599,"identity":"a490567d-0f55-4832-b6a6-f36bb55b4ff3","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":19,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":1009104,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage7.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/3e2efa2eef239951e8126017.jpeg"},{"id":92116183,"identity":"305b65f9-9609-4dc7-a77d-df162dd1d6b2","added_by":"auto","created_at":"2025-09-24 19:49:40","extension":"jpeg","order_by":20,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":184296,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage8.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/7c2710df786cd6383668b5f8.jpeg"},{"id":92115583,"identity":"09113699-4ba6-46b4-804d-d0aaaac4176b","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"jpeg","order_by":21,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":209326,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage9.jpeg","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/dc1aa36035e0ef86862bbf64.jpeg"},{"id":92115605,"identity":"f2a5ef92-7f55-4be5-aff3-c3d3f48dd4bf","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"png","order_by":22,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":54477,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage1.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/8be485e123fa78078e4aaf1d.png"},{"id":92116125,"identity":"ea049095-182c-449f-ae0f-310682e5eebd","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"png","order_by":23,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":58535,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage10.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/06325bbd6aa98cb967d16554.png"},{"id":92116119,"identity":"570aadbe-2b78-431d-9b72-3272648bebef","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"png","order_by":24,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":134391,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage11.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/3cdaa4eba38e30bc487e5877.png"},{"id":92116181,"identity":"f85e08f3-6c46-4524-acbf-4f9d9918c687","added_by":"auto","created_at":"2025-09-24 19:49:40","extension":"png","order_by":25,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":54795,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage12.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/8dc3d954d5e8f2c47e5140ae.png"},{"id":92116184,"identity":"26394305-f4d7-47e6-a0e3-77d04885605c","added_by":"auto","created_at":"2025-09-24 19:49:40","extension":"png","order_by":26,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":64329,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage13.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/4759532b97c1d88495775240.png"},{"id":92115609,"identity":"adc31225-86de-4d42-b8bf-92abffea14e8","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"png","order_by":27,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":119508,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage14.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/02d528de56fed925f491ce9f.png"},{"id":92116186,"identity":"61a8fb13-f4b1-4755-82eb-21678682d19c","added_by":"auto","created_at":"2025-09-24 19:49:40","extension":"png","order_by":28,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":60055,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage15.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/cbe784893f9a638bdb65b8b1.png"},{"id":92116131,"identity":"a96a42ea-4b84-4cd0-b4f1-70251ca45b5b","added_by":"auto","created_at":"2025-09-24 19:41:41","extension":"png","order_by":29,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":386133,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage16.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/e5f2d99a85ded9234e25099a.png"},{"id":92115612,"identity":"58c1f864-0c65-4d33-b95f-4878291f4976","added_by":"auto","created_at":"2025-09-24 19:33:41","extension":"png","order_by":30,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":377713,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage17.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/69f75bf2e1c641b1114d3cc1.png"},{"id":92115614,"identity":"12477701-c032-4e17-9ff1-a189fd452fc2","added_by":"auto","created_at":"2025-09-24 19:33:41","extension":"png","order_by":31,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":200355,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage18.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/f053d36c1d4d351e90431d4c.png"},{"id":92115598,"identity":"fef425a7-1522-4d17-9613-bbf01421abe5","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"png","order_by":32,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":39401,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage19.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/74de9c6135c695d537afa8fb.png"},{"id":92116124,"identity":"05fa89a8-879a-40a6-a1b3-8ffe926deec1","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"png","order_by":33,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":133432,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage2.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/a5240439d897795211e088db.png"},{"id":92115610,"identity":"1fe72531-11c1-4811-ab1f-308329376cd1","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"png","order_by":34,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":41032,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage3.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/cc20cf4e07fd1b558e7a4d97.png"},{"id":92115602,"identity":"110eec7e-b566-436e-8fee-e3bbea3d97a6","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"png","order_by":35,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":124740,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage4.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/71ac285bc5a19ca01f33ca2d.png"},{"id":92116185,"identity":"7de850da-dcc7-4570-9fdc-5ae22b379320","added_by":"auto","created_at":"2025-09-24 19:49:40","extension":"png","order_by":36,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":124982,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage5.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/36533e0b56908901042d2653.png"},{"id":92115613,"identity":"d8a80231-297f-42cf-92de-905112943f0b","added_by":"auto","created_at":"2025-09-24 19:33:41","extension":"png","order_by":37,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":126077,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage6.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/cce0f0ffab860cabc674dffb.png"},{"id":92115608,"identity":"333c7a75-8e9c-4cf2-be57-c3884a766693","added_by":"auto","created_at":"2025-09-24 19:33:40","extension":"png","order_by":38,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":260215,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage7.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/83dc1960f03aa5c175448b0a.png"},{"id":92116128,"identity":"c0fcff41-4986-45cf-8c94-a756cd6eec44","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"png","order_by":39,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":53107,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage8.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/45e98aef3c1840399f1d12c9.png"},{"id":92116129,"identity":"27434b03-19aa-4edd-bf3f-bc900951572d","added_by":"auto","created_at":"2025-09-24 19:41:40","extension":"png","order_by":40,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":30245,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage9.png","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/4d5b420447420950aa30f2bb.png"},{"id":92115615,"identity":"fe999de8-1768-44b7-9be1-f2755f779277","added_by":"auto","created_at":"2025-09-24 19:33:41","extension":"xml","order_by":41,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":202973,"visible":true,"origin":"","legend":"","description":"","filename":"8e45856079da4f6589d0bfa6d5d574bf1structuring.xml","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/074564883578ea2871781a48.xml"},{"id":92115616,"identity":"4bd9114e-f729-47f6-a2f1-e9b27e89a23c","added_by":"auto","created_at":"2025-09-24 19:33:41","extension":"html","order_by":42,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":211256,"visible":true,"origin":"","legend":"","description":"","filename":"earlyproof.html","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1/99c0d4b2fee57e7353c7fe69.html"},{"id":92116654,"identity":"57856048-3662-49de-a6ed-6b1eb26eb687","added_by":"auto","created_at":"2025-09-24 20:05:42","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":2425709,"visible":true,"origin":"","legend":"","description":"","filename":"AI.pdf","url":"https://assets-eu.researchsquare.com/files/rs-7677123/v1_covered_3a2ba7c7-2234-4246-b72b-b6a6b91c455f.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"AI-Guided Design of Multifunctional Epoxy Hybrid Nanocomposites with MWCNTs– Nanoclay Networks for Next-Generation Fire-Safe and Self-Sensing Coatings","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":false,"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":"polymer-bulletin","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"pobu","sideBox":"Learn more about [Polymer Bulletin](http://link.springer.com/journal/289)","snPcode":"289","submissionUrl":"https://submission.nature.com/new-submission/289/3","title":"Polymer Bulletin","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false},"keywords":"Epoxy nanocomposites, Multi-walled carbon nanotubes, Nanoclay, Flame retardancy, Self-sensing, AI-guided design","lastPublishedDoi":"10.21203/rs.3.rs-7677123/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7677123/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThis study reports the AI-guided design of epoxy/MWCNT/nanoclay hybrid nanocomposites that achieve a unique integration of structural reinforcement, flame retardancy, optical shielding, electrical conductivity, and multifunctional sensing. Response surface methodology (RSM) and Random Forest (RF) models were combined to explore a four-factor Box\u0026ndash;Behnken design across 29 experimental runs. The optimized hybrids (\u0026asymp;\u0026thinsp;0.8\u0026ndash;1.0 wt% CNT and 3\u0026ndash;4 wt% nanoclay) demonstrated superior fire resistance with limiting oxygen index (LOI)\u0026thinsp;\u0026gt;\u0026thinsp;29% (vs. ~23% for neat epoxy) and peak heat release rate (pHRR) reduced to ~\u0026thinsp;760 kW\u0026middot;m⁻\u0026sup2; (down from ~\u0026thinsp;1040 kW\u0026middot;m⁻\u0026sup2;). Mechanical reinforcement was confirmed with tensile strength increasing to ~\u0026thinsp;75 MPa and flexural modulus exceeding 4.5 GPa, representing\u0026thinsp;~\u0026thinsp;25\u0026ndash;30% gains over neat epoxy. Optical and barrier functions were enhanced with UV-blocking efficiencies above 90% and char yields up to 20%. Electrical conductivity improved by 4\u0026ndash;5 orders of magnitude, stabilizing at ~\u0026thinsp;10⁻\u0026sup3; S\u0026middot;m⁻\u0026sup1;, while multifunctional sensing was validated with thermal sensitivity above 0.04 ΔR/R\u0026middot;\u0026deg;C⁻\u0026sup1; and NH₃ gas response approaching 0.11 ΔR/R. Long-term durability tests confirmed retention of \u0026gt;\u0026thinsp;80% of mechanical, fire, and electrical properties after 100 h UV irradiation, 200\u0026deg;C thermal aging, and 10⁵ cyclic loads. XPS and XRD analyses revealed strong interfacial bonding (C\u0026ndash;O, Si\u0026ndash;O) and exfoliated clay structures that underpin multifunctionality. AI-guided models achieved predictive accuracy above R\u0026sup2; = 0.98, reducing trial-and-error efforts by nearly 50%. Collectively, these results establish the developed epoxy/MWCNT/nanoclay hybrids as next-generation multifunctional coatings with direct applicability to aerospace, automotive, and electronic protection.\u003c/p\u003e","manuscriptTitle":"AI-Guided Design of Multifunctional Epoxy Hybrid Nanocomposites with MWCNTs– Nanoclay Networks for Next-Generation Fire-Safe and Self-Sensing Coatings","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-09-24 19:33:35","doi":"10.21203/rs.3.rs-7677123/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2026-04-10T19:32:11+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2026-03-10T13:11:06+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"314544244691552707487266366147180631495","date":"2026-03-02T02:46:56+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2025-11-25T01:02:18+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"46045553048971446126963803258799499627","date":"2025-11-23T12:48:06+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2025-11-23T12:25:30+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2025-09-29T14:24:03+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2025-09-26T08:02:25+00:00","index":"","fulltext":""},{"type":"submitted","content":"Polymer Bulletin","date":"2025-09-22T10:24:29+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"polymer-bulletin","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"pobu","sideBox":"Learn more about [Polymer Bulletin](http://link.springer.com/journal/289)","snPcode":"289","submissionUrl":"https://submission.nature.com/new-submission/289/3","title":"Polymer Bulletin","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Springer Hybrid","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"c9e18d70-e97b-4708-b0c0-40372a33f520","owner":[],"postedDate":"September 24th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"under-review","subjectAreas":[],"tags":[],"updatedAt":"2026-05-06T01:53:38+00:00","versionOfRecord":[],"versionCreatedAt":"2025-09-24 19:33:35","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-7677123","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7677123","identity":"rs-7677123","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}