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在不对称石墨烯中自发热流和超高热校正:一个分子动力学模拟

Farrokh Yousefi^1,2, Omid Farzadian³, Mehdi Shafiee^1,2

¹Department of Electrical and Computer Engineering, Nazarbayev University, Astana 010000, Kazakhstan.

|January 17, 2025

概括

这项研究揭示了石墨烯的自发热流和超高热校正,使新的热二极管和超高热校正成为可能.

科学领域:

凝聚物质物理学凝聚物质物理学
材料科学材料科学材料科学
纳米技术纳米技术

背景情况:

石墨烯独特的热性能正在研究先进的应用.
控制热流对于热管理和能源设备至关重要.
不对称的纳米结构可以表现出不寻常的热传输现象.

研究的目的:

在不对称的石墨烯纳米结构中研究自发热流 (SHC) 和热校正.
探索这些现象对热二极管和能源采集的潜力.
分析结构参数对热传输特性的影响.

主要方法:

使用了非平衡分子动力学 (NEMD) 模拟.
模拟了不对称的梯形形状的石墨烯模型,具有和没有化边缘.
为了准确的模拟,使用了反应实证债券订单 (REBO) 和Tersoff潜力.

主要成果:

在没有温度梯度的情况下观察到自发热流 (SHC).
在不对称的梯形形状石墨烯中证明了超高的热校正.
确定了负和零导热值,这对热和热电设备有影响.

结论:

不对称的石墨烯纳米结构表现出独特的热传输特性,包括SHC和高热校正.
这些发现表明在热二极管,发电和先进的热电设备中存在潜在的应用.
该研究提供了关于纳米结构材料热传输的基本物理学的见解.

关键词:

负热导电性的热导电性.自发热流是一种自发的热流.热纠正热纠正热纠正导热率为零的导热率是零的

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