Yingzhou Liu, Yinong Liu, Jincheng Yue, Long Xiong, Lei-Lei Nian, Shiqian Hu
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引用次数: 0
Abstract
The interfacial thermal conductance (ITC) plays a crucial role in nanoscale heat transfer, and its enhancement is of great interest for various applications. In this study, we explore the influence of resonance on the interfacial modes in pillar-based Si/Ge nanowires through nonequilibrium molecular dynamics simulations, employing both empirical and machine-learning potentials. Our results reveal a significant enhancement in the ITC by introducing pillars in the nanowire structure. The resonance-induced enhancement of the matching degree of the phonon density of states together with the calculation results of the phonon transmission coefficient indicate a significant improvement in both elastic and inelastic phonon transport at the interface. Moreover, we demonstrate the effective utilization of resonance to modulate the interfacial modes in pillar-based Si/Ge nanowires, resulting in improved phonon transport efficiency. This modulation is achieved by strategically repositioning the Si and Ge walls near the interface, leading to the development of the ATI-wall structure. Remarkably, the ATI-wall structure exhibits an unprecedented increase in the ITC compared to the original pillar-based design. To provide additional support for our conclusion, we conduct supplementary simulations using graphics processing unit molecular dynamics in conjunction with the neuroevolution potential to calculate the ITC. Our findings highlight the significance of interfacial mode modulation in enhancing the heat transfer in nanoscale systems and provide valuable insights for the design and optimization of thermal management devices and materials.
期刊介绍:
Physical Review B (PRB) is the world’s largest dedicated physics journal, publishing approximately 100 new, high-quality papers each week. The most highly cited journal in condensed matter physics, PRB provides outstanding depth and breadth of coverage, combined with unrivaled context and background for ongoing research by scientists worldwide.
PRB covers the full range of condensed matter, materials physics, and related subfields, including:
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-Magnetism
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-Topological states of matter