沿着各种配置的长长聚合物链进行声子传输:声子散射的影响
Natalya A Zimbovskaya1, Abraham Nitzan2,3
1Department of Physics and Electronics, University of Puerto Rico-Humacao, CUH Station, Humacao, Puerto Rico 00791, USA.
The Journal of chemical physics
|June 16, 2023
概括
在聚合物链中,光子热传输从扩散转变为弹性,因为链条直会减少散射. 这项研究模拟了通过具有不同散射器配置的原子链的热传递.
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
- 聚合物物理 聚合物物理
背景情况:
- 波热传输对于材料性能至关重要.
- 聚合物链的配置显著影响热导率.
- 最近的模拟表明链结构和热传输动态之间存在联系.
研究的目的:
- 从理论上分析聚合物链配置对声子热传输的影响.
- 为了研究声子散射在控制热传导中的作用.
- 基于链结构,模拟从扩散热传输到弹性热传输的过渡.
主要方法:
- 声子热传输的理论分析.
- 对原子链的多通道散射模型的开发.
- 模拟链条配置通过变化的散射器附件.
- 通过减少散射器数量来模仿链条直.
主要成果:
- 子散射控制着纠的聚合物链中的热传导,从而导致扩散传输.
- 直链减少散射,导致几乎弹道热传输.
- 随着散射器密度的变化,观察到热导电性的值式过渡.
结论:
- 聚合物链的配置关键地决定了声子的热传输行为.
- 散射中心,就像链曲线一样,控制了扩散和弹道运输模式之间的过渡.
- 这些发现与最近的分子动力学模拟结果一致.
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