Thermal rectification in polytelescopic Ge nanowires

Fatemeh Molaei, Omid Farzadian, Maryam Zarghami Dehaghani, Christos Spitas, Amin Hamed Mashhadzadeh

Research output: Journal PublicationArticlepeer-review

1 Citation (Scopus)


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.

Original languageEnglish
Article number108252
JournalJournal of Molecular Graphics and Modelling
Publication statusPublished - Nov 2022
Externally publishedYes


  • Molecular dynamics simulation
  • Polytelescopic
  • Telescopic nanowires
  • Thermal rectification
  • Thermal resistance

ASJC Scopus subject areas

  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Computer Graphics and Computer-Aided Design
  • Materials Chemistry


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