Author
Molaei, FatemehFarzadian, Omid
Zarghami Dehaghani, Maryam
Spitas, Christos
Hamed Mashhadzadeh, Amin
Affiliation
Mining and Geological Engineering Department, The University of ArizonaIssue Date
2022-11Keywords
Molecular dynamics simulationPolytelescopic
Telescopic nanowires
Thermal rectification
Thermal resistance
Metadata
Show full item recordPublisher
Elsevier BVCitation
Molaei, F., Farzadian, O., Zarghami Dehaghani, M., Spitas, C., & Hamed Mashhadzadeh, A. (2022). Thermal rectification in polytelescopic Ge nanowires. Journal of Molecular Graphics and Modelling, 116.Rights
© 2022 Elsevier Inc. All rights reserved.Collection Information
This item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.Abstract
Herein we served non-equilibrium molecular dynamics (NEMD) approach to simulate thermal rectification in the mono- and polytelescopic Ge nanowires (GeNWs). We considered mono-telescopic structures with different Fat-Thin configurations (15-10 nm-nm or Type (I); 15-5 nm-nm or Type (II); and 10–5 or Type (III) nm-nm) as generic models. We simulated the variation of thermal conductivity against interfacial cross-sectional temperature as well as the direction of heat transfer, where a higher thermal conductivity correlating to thicker nanowires, and a more significant drop (or discontinuity) in the average interface temperature in the positive (or negative) direction were detected. Noticeably, interfacial thermal resistance followed the order of Type (II) (48 K/μW, maximal) ˃ Type (III) ˃ Type (I) (5 K/μW, minimal). In the second stage, a series of polytelescopic nanostructures of GeNWs were born with consecutive cross-sectional interfaces. Surprisingly, larger interfacial cross-sectional areas equivalent to smaller diameter changes along the GeNWs were responsible for higher temperature rectification. This led to a very limited thermal conductivity loss or a very high unidirectional heat transfer along the polytelescopic structures - the key for manufacturing next generation high-performance thermal diodes.Note
24 month embargo; available online: 13 June 2022ISSN
1093-3263Version
Final accepted manuscriptae974a485f413a2113503eed53cd6c53
10.1016/j.jmgm.2022.108252