论文标题

原子和宏观系统中的波动电动力学:范德华相互作用和辐射传热

Fluctuational Electrodynamics in Atomic and Macroscopic Systems: van der Waals Interactions and Radiative Heat Transfer

论文作者

Venkataram, Prashanth S., Hermann, Jan, Tkatchenko, Alexandre, Rodriguez, Alejandro W.

论文摘要

我们提出了一种描述波动电动力学(FED)相互作用,尤其是范德华(VDW)相互作用以及辐射传热(RHT)的方法,在较大长度尺度的材料体之间,可以在所需的每个物体的原子和连续处理之间进行。电磁响应的任何局部连续性描述都与我们的方法兼容,而我们方法中的原子描述基于有效的电子和核振荡器自由度,封装耗散,短距离电子相关性以及集体核振动(Phonons)。尽管我们以前使用这种方法的作品重点是展示新的结果,但这项工作集中在这些方法的基础上。首先,我们展示了“原子”和“宏观”身体之间的区别最终是任意的,因为VDW自由能和RHT的公式看起来都非常相似。接下来,我们证明对我​​们方法中材料响应的原子描述产生了EM相互作用矩阵元素,这些元素元素是根据ewald求和的定期培养基来表示紧凑型身体或半分析公式的分析公式的;我们使用它来计算在存在金属板的存在以及真空中的平行石墨烯之间的小型生物分子之间的VDW相互作用自由能以及RHT功率,这显示出由于几何形状,Phonons,Phonons和Em抑制作用而与常规宏观理论的偏差。最后,我们提出了公式,以有效地计算材料体之间的饲料相互作用,在该物体中,在该物体中,在该物体中以及通过连续方法处理的人可能具有任意形状,从而扩展了先前的表面综合技术。

We present an approach to describing fluctuational electrodynamic (FED) interactions, particularly van der Waals (vdW) interactions as well as radiative heat transfer (RHT), between material bodies of vastly different length scales, allowing for going between atomistic and continuum treatments of the response of each of these bodies as desired. Any local continuum description of electromagnetic (EM) response is compatible with our approach, while atomistic descriptions in our approach are based on effective electronic and nuclear oscillator degrees of freedom, encapsulating dissipation, short-range electronic correlations, and collective nuclear vibrations (phonons). While our previous works using this approach have focused on presenting novel results, this work focuses on the derivations underlying these methods. First, we show how the distinction between "atomic" and "macroscopic" bodies is ultimately somewhat arbitrary, as formulas for vdW free energies and RHT look very similar regardless of how the distinction is drawn. Next, we demonstrate that the atomistic description of material response in our approach yields EM interaction matrix elements which are expressed in terms of analytical formulas for compact bodies or semianalytical formulas based on Ewald summation for periodic media; we use this to compute vdW interaction free energies as well as RHT powers among small biological molecules in the presence of a metallic plate as well as between parallel graphene sheets in vacuum, showing strong deviations from conventional macroscopic theories due to the confluence of geometry, phonons, and EM retardation effects. Finally, we propose formulas for efficient computation of FED interactions among material bodies in which those that are treated atomistically as well as those treated through continuum methods may have arbitrary shapes, extending previous surface-integral techniques.

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