{"title":"受限流体中位置相关自扩散的通用标度","authors":"Meysam E. Arampour , Hanhui Jin , Jianren Fan","doi":"10.1016/j.ijheatmasstransfer.2025.127865","DOIUrl":null,"url":null,"abstract":"<div><div>Self-diffusion in confined fluids is known to vary significantly near solid boundaries due to molecular layering, energy dissipation, and structural reorganization. Using molecular dynamics simulations, we show that this position-dependent diffusivity can be quantitatively described by a sigmoidal scaling function governed by the molecular mean free path (<span><math><mi>λ</mi></math></span>) and kinetic energy (<span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>K</mi></mrow></msub></math></span> ). Across a wide range of thermodynamic conditions, the local diffusivity profiles collapse onto a universal master curve when normalized by near-wall suppression and far-field recovery scales. This finding reveals a transferable relation linking microscopic transport modulation to confinement geometry and energy input. These results establish a predictive framework for near-wall transport and provide insights for multiscale modeling in confined fluids.</div></div>","PeriodicalId":336,"journal":{"name":"International Journal of Heat and Mass Transfer","volume":"255 ","pages":"Article 127865"},"PeriodicalIF":5.8000,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Universal scaling of position-dependent self-diffusion in confined fluids\",\"authors\":\"Meysam E. Arampour , Hanhui Jin , Jianren Fan\",\"doi\":\"10.1016/j.ijheatmasstransfer.2025.127865\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Self-diffusion in confined fluids is known to vary significantly near solid boundaries due to molecular layering, energy dissipation, and structural reorganization. Using molecular dynamics simulations, we show that this position-dependent diffusivity can be quantitatively described by a sigmoidal scaling function governed by the molecular mean free path (<span><math><mi>λ</mi></math></span>) and kinetic energy (<span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>K</mi></mrow></msub></math></span> ). Across a wide range of thermodynamic conditions, the local diffusivity profiles collapse onto a universal master curve when normalized by near-wall suppression and far-field recovery scales. This finding reveals a transferable relation linking microscopic transport modulation to confinement geometry and energy input. These results establish a predictive framework for near-wall transport and provide insights for multiscale modeling in confined fluids.</div></div>\",\"PeriodicalId\":336,\"journal\":{\"name\":\"International Journal of Heat and Mass Transfer\",\"volume\":\"255 \",\"pages\":\"Article 127865\"},\"PeriodicalIF\":5.8000,\"publicationDate\":\"2025-09-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Heat and Mass Transfer\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0017931025012001\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Heat and Mass Transfer","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0017931025012001","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}
Universal scaling of position-dependent self-diffusion in confined fluids
Self-diffusion in confined fluids is known to vary significantly near solid boundaries due to molecular layering, energy dissipation, and structural reorganization. Using molecular dynamics simulations, we show that this position-dependent diffusivity can be quantitatively described by a sigmoidal scaling function governed by the molecular mean free path () and kinetic energy ( ). Across a wide range of thermodynamic conditions, the local diffusivity profiles collapse onto a universal master curve when normalized by near-wall suppression and far-field recovery scales. This finding reveals a transferable relation linking microscopic transport modulation to confinement geometry and energy input. These results establish a predictive framework for near-wall transport and provide insights for multiscale modeling in confined fluids.
期刊介绍:
International Journal of Heat and Mass Transfer is the vehicle for the exchange of basic ideas in heat and mass transfer between research workers and engineers throughout the world. It focuses on both analytical and experimental research, with an emphasis on contributions which increase the basic understanding of transfer processes and their application to engineering problems.
Topics include:
-New methods of measuring and/or correlating transport-property data
-Energy engineering
-Environmental applications of heat and/or mass transfer