Trans-scale influence of molecular states and intermolecular interactions on self-diffusion

Understanding self-diffusion in fluids is critical for advancing material transport theories and optimizing engineering applications. This study employs Molecular Dynamics (MD) simulations to investigate how molecular-scale interactions (σ, ϵ) and molecular energy states (EK,EP) influence self-diffu...

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Bibliographic Details

Published in:	International journal of heat and mass transfer Vol. 247; p. 127109
Main Authors:	Arampour, Meysam E., Jin, Hanhui, Fan, Jianren
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 01.09.2025
Subjects:	Energy states Lennard-Jones potential Mean free path Molecular dynamics Molecular-scale interactions Self-diffusion Molecular dynamics Molecular-scale interactions Energy states Mean free path Lennard-Jones potential Self-diffusion
ISSN:	0017-9310
Online Access:	Get full text
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