AI 中文总结
研究狭缝孔中极化表面间受限电解质，用二维周期性格林函数等方法求解静电方程并用于蒙特卡罗模拟，发现介电各向异性重塑双层结构，强各向异性下横向相关性主导热力学，使不同边界结构轮廓趋同。
AI 中文摘要
我们提出了一种方法，能够对具有各向异性介电常数张量的狭窄狭缝孔内的粗粒化电解质溶液进行高效模拟。使用二维周期性格林函数方法结合平板校正各向异性三维埃瓦尔德求和来求解极化表面的静电方程。我们将此方法应用于蒙特卡罗模拟，以研究1:1电解质在极化介电和金属表面之间的受限情况。结果表明，介电各向异性会显著重塑双层结构。坐标拉伸变换表明，单个离子 - 图像相互作用严格取决于类似本体的平行介电常数，而垂直介电常数的抑制会极大地放大平面内直接的离子 - 离子相关性。在强各向异性下，这些横向相关性完全主导热力学，通过迫使较小的阳离子直接进入较大阴离子的接触平面，使相互对立的介电和金属边界的结构轮廓几乎相同。
英文摘要
We present a method that enables efficient simulations of coarse-grained electrolyte solutions inside a narrow slit pore with an anisotropic dielectric permittivity tensor. The electrostatic equations for polarizable surfaces are solved using a 2D periodic Green's function method combined with a slab-corrected anisotropic 3D Ewald summation. We apply this approach in Monte Carlo simulations to study 1:1 electrolytes confined between both polarizable dielectric and metallic surfaces. Our results show that dielectric anisotropy aggressively reshapes the double-layer structure. While a coordinate stretching transformation demonstrates that individual ion-image interactions depend strictly on the bulk-like parallel permittivity, the suppression of the perpendicular permittivity dramatically amplifies direct in-plane ion-ion correlations. Under strong anisotropy, these lateral correlations dominate the thermodynamics completely, rendering the structural profiles of mutually opposing dielectric and metallic boundaries practically identical by forcing the smaller cations directly into the contact plane of the larger anions.
