Yingzhou Liu, Yinong Liu, Jincheng Yue, Long Xiong, Lei-Lei Nian, Shiqian Hu
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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. 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引用次数: 0
摘要
界面热导(ITC)在纳米尺度传热中起着至关重要的作用,提高界面热导在各种应用中都具有重大意义。在本研究中,我们采用经验势和机器学习势,通过非平衡分子动力学模拟探讨了共振对柱基硅/锗纳米线中界面模式的影响。我们的结果表明,通过在纳米线结构中引入支柱,ITC 得到了显著增强。共振引起的声子态密度匹配度的提高以及声子传输系数的计算结果都表明,界面上的弹性和非弹性声子传输都得到了显著改善。此外,我们还展示了如何有效利用共振来调制柱基硅/锗纳米线的界面模式,从而提高声子传输效率。这种调制是通过战略性地重新定位界面附近的硅壁和锗壁来实现的,从而形成了 ATI 壁结构。值得注意的是,与最初的柱状设计相比,ATI-壁结构的 ITC 出现了前所未有的增长。为了给我们的结论提供更多支持,我们使用图形处理单元分子动力学结合神经进化势能进行了补充模拟,以计算 ITC。我们的研究结果凸显了界面模式调制在增强纳米级系统传热方面的重要作用,并为热管理器件和材料的设计与优化提供了宝贵的见解。
Modulation of interface modes for resonance-induced enhancement of the interfacial thermal conductance in pillar-based Si/Ge nanowires
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.
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