Thermal Rectification Modulation of Parallel Multiple Carbon/Boron Nitride Heteronanotubes

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Thermal rectification (TR) is crucial for thermal rectifiers, but heat conduction must also be managed.
• Carbon nanotube arrays and carbon/boron nitride heteronanotubes (CBNNTs) offer potential for high TR efficiency and conductivity.

Purpose of the Study:

• To investigate and enhance the thermal rectification ratio (TR ratio) in multiple carbon/boron nitride heteronanotube (CBNNT) models.
• To explore the effects of intertube coupling, heteronanotube length, and spacing on TR performance.

Main Methods:

• Non-equilibrium molecular dynamics simulations were employed to analyze TR ratios under various conditions.
• Phonon properties, atomic vibrations, phonon localization, and intertube phonon exchange were investigated.
• Phonon density of states, phonon participation rate, and mean square displacement were utilized.

Main Results:

• Weakening intertube coupling in double CBNNTs (D-CBNNTs) effectively enhances the TR ratio.
• Heteronanotube length and spacing provide tunable control over TR performance.
• The BN region in D-CBNNTs exhibits greater variability; phonon localization and intertube exchange influence heat flux.
• Optimized four-CBNNT models achieved excellent TR ratios with significant heat flux.

Conclusions:

• Multiple CBNNTs show promise as efficient thermal rectifiers.
• Adjusting intertube coupling and structural parameters offers a viable strategy for designing advanced thermal rectifier arrays.
• The study provides theoretical guidance for the application of heteronanotube arrays in thermal management.