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Asymmetric Electron Bilayer: A Molecular Dynamics Study Of Correlations And Diffusion

机译:不对称电子双层:相关性和扩散的分子动力学研究。

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Molecular dynamics simulations of a classical asymmetric electron bilayer for various values of the inter-layer separation distance d and various degrees of asymmetry have been performed. The number of charged particles in the basic cell of one layer was fixed at 512, corresponding to a coupling strength Γ(=(e~2)/(ak_BT)) of 80, while that of the other varied from 32 to 512 particles, corresponding to a Γ of 20 to 80; a is the Wigner-Seitz radius. We have analyzed the intralayer and interlayer pair-correlation functions and the self-diffusion coefficients of the two layers and compared them with those of a symmetric electron bilayer. It is found that the self-diffusion coefficients of the two layers do not differ significantly for values of d ≤ 0.8 with a marked deviation setting for d=2. A fluid-solid phase transition, observed previously for the symmetric bilayer for certain values of d, no longer exists even for the slightly asymmetric (512,450) bilayer we considered.
机译:针对不同的层间间隔距离d和不同的不对称度,对经典的不对称电子双层进行了分子动力学模拟。一层的基本单元中带电粒子的数量固定为512,对应于耦合强度Γ(=(e〜2)/(ak_BT))为80,而另一层的耦合强度从32变为512,对应于20到80的Γ; a是维格纳-塞茨半径。我们分析了两层的层间和层间对相关函数以及自扩散系数,并将它们与对称电子双层的自扩散系数进行了比较。可以发现,对于d≤0.8的值,两层的自扩散系数没有显着差异,对于d = 2则有明显的偏差设置。以前在对称双层中对于某些d值观察到的流固相变,甚至对于我们考虑的稍微不对称的(512,450)双层也不再存在。

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