Zare Pakzad, Sina, Nasr Esfahani, Mohammad orcid.org/0000-0002-6973-2205 and Erdem Alaca, B. (2024) An analytical-atomistic model for elastic behavior of silicon nanowires. JPhys Materials. 03LT04. ISSN 2515-7639
Abstract
Silicon nanowires entail significant potential as sensors in nanoelectromechanical systems. Despite its crucial impact in such applications, inconsistent trends in mechanical behavior reported in computational and experimental studies remain unexplained. Hence, scale effect in even the most fundamental elastic properties requires clarification. This work introduces a multiscale model to bridge the existing gap between atomistic simulations and experimental observations encountered around a critical dimension of 10 nm. The combined approach of this work is based on molecular dynamics and modified core-shell model and captures the scale effect over a substantial size range. The evolution of the modulus of elasticity is thus studied and linked to nanowire critical dimension through the parameterization of surface inhomogeneity. The developed method is also validated through an analysis of native oxide revealing an average modulus of elasticity of 75 GPa. The method’s applicability can be extended to similar one-dimensional structures with unique surface states.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | Publisher Copyright: © 2024 The Author(s). Published by IOP Publishing Ltd. |
Keywords: | elastic modulus,molecular dynamics,native oxide,silicon nanowire,tensile behavior |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Electronic Engineering (York) |
Depositing User: | Pure (York) |
Date Deposited: | 30 Jul 2024 11:10 |
Last Modified: | 16 Oct 2024 20:04 |
Published Version: | https://doi.org/10.1088/2515-7639/ad618d |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1088/2515-7639/ad618d |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:215509 |
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