Explicit Incorporation of Dislocation Pipe Diffusion Mechanism into the Sofronis–McMeeking Hydrogen Transport Framework

Explicit Incorporation of Dislocation Pipe Diffusion Mechanism into the Sofronis–McMeeking Hydrogen Transport Framework | 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 Explicit Incorporation of Dislocation Pipe Diffusion Mechanism into the Sofronis–McMeeking Hydrogen Transport Framework Jiahao Cheng, Saket Thapliyala, Weicheng Zhong, Jason Mayeur, and 1 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8081483/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 Hydrogen permeation experiments in austenitic stainless steels (e.g., [1]) show that microstructural features—especially dislocation density—strongly modulate transport, leading to large scatter in reported diffusivity and permeability. Yet widely used hydrogen transport models, such as the Sofronis–McMeeking framework, treat dislocations only as reversible traps rather than fast diffusion pathways and therefore fail to capture microstructure–property relationships, leading to the need of ad-hoc, sample-specific parameter tuning. This paper presents a thermodynamically consistent, microstructure-explicit framework that augments the hydrogen transportation model by explicitly introducing dislocation-assisted pipe diffusion and reversible trapping. Validation is performed against permeation experiments of 316L stainless steel samples fabricated by laser powder bed fusion (L-PBF) and subjected to different post-built heat treatment conditions. Dislocation densities and their spatial distribution are inferred from EBSD (grain size/misorientation metrics) and analytical yield-strength analysis, then used as simulation inputs. With minimal calibration to a small data subset, the model reproduces the large variation in measured permeability across a 350 o C-550 o C temperature range and the sensitivity to the dislocation densities. The results demonstrate that explicitly accounting for dislocation-assisted pipe diffusion is essential to reproduce microstructure-based hydrogen transport behavior, providing a mechanistic basis for assessing hydrogen embrittlement in austenitic steels. Materials Theory and Modeling Computational Physics Hydrogen diffusion in metallic material microstructure dislocations-assisted hydrogen diffusion finite element simulation Full Text Additional Declarations The authors declare no competing interests. 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. 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microstructure, dislocations-assisted hydrogen diffusion, finite element simulation","lastPublishedDoi":"10.21203/rs.3.rs-8081483/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-8081483/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eHydrogen permeation experiments in austenitic stainless steels (e.g., [1]) show that microstructural features—especially dislocation density—strongly modulate transport, leading to large scatter in reported diffusivity and permeability. Yet widely used hydrogen transport models, such as the Sofronis–McMeeking framework, treat dislocations only as reversible traps rather than fast diffusion pathways and therefore fail to capture microstructure–property relationships, leading to the need of ad-hoc, sample-specific parameter tuning. This paper presents a thermodynamically consistent, microstructure-explicit framework that augments the hydrogen transportation model by explicitly introducing dislocation-assisted pipe diffusion and reversible trapping. Validation is performed against permeation experiments of 316L stainless steel samples fabricated by laser powder bed fusion (L-PBF) and subjected to different post-built heat treatment conditions. Dislocation densities and their spatial distribution are inferred from EBSD (grain size/misorientation metrics) and analytical yield-strength analysis, then used as simulation inputs. With minimal calibration to a small data subset, the model reproduces the large variation in measured permeability across a 350\u003csup\u003eo\u003c/sup\u003e C-550\u003csup\u003eo\u003c/sup\u003e C temperature range and the sensitivity to the dislocation densities. 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