首页|Thermal transport in composition graded silicene/germanene heterostructures

Thermal transport in composition graded silicene/germanene heterostructures

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Through equilibrium and non-equilibrium molecular dynamics simulations,we have demonstrated the inhibitory ef-fect of composition graded interface on thermal transport behavior in lateral heterostructures.Specifically,we investigated the influence of composition gradient length and heterogeneous particles at the silicene/germanene(SIL/GER)heterostruc-ture interface on heat conduction.Our results indicate that composition graded interface at the interface diminishes the thermal conductivity of the heterostructure,with a further reduction observed as the length increases,while the effect of the heterogeneous particles can be considered negligible.To unveil the influence of composition graded interface on thermal transport,we conducted phonon analysis and identified the presence of phonon localization within the interface compo-sition graded region.Through these analyses,we have determined that the decrease in thermal conductivity is correlated with phonon localization within the heterostructure,where a stronger degree of phonon localization signifies poorer thermal conductivity in the material.Our research findings not only contribute to understanding the impact of interface gradient-induced phonon localization on thermal transport but also offer insights into the modulation of thermal conductivity in heterostructures.

composition graded interfacethermal transportphonon localizationmolecular dynamics

曹增强、王超宇、张宏岗、游波、倪宇翔

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School of Physical Science and Technology,Southwest Jiaotong University,Chengdu 610031,China

Department of Materials Science and the Advanced Coatings Research Center of the China Educational Ministry,Fudan University,Shanghai 200433,China

Key Laboratory of High Performance Scientific Computation,School of Science,Xihua University,Chengdu 610039,China

国家自然科学基金

12104291

2024

10.1088/1674-1056/ad1500

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(4)
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