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气-水界面的微观粗糙度、本征密度分布和刚性

Nanoroughness, intrinsic density profile, and rigidity of the air-water interface.

作者信息

Sedlmeier Felix, Horinek Dominik, Netz Roland R

机构信息

Physik Department, Technische Universität München, 85748 Garching, Germany.

出版信息

Phys Rev Lett. 2009 Sep 25;103(13):136102. doi: 10.1103/PhysRevLett.103.136102. Epub 2009 Sep 24.

DOI:10.1103/PhysRevLett.103.136102
PMID:19905528
Abstract

From large-scale molecular dynamics simulations of the free water surface the capillary wave spectrum is obtained and analyzed in terms of a wave vector dependent surface tension. The bending rigidity is positive but suggested to change sign in the presence of long-range dispersive interactions. Nanoroughness and capillary waves give rise to a scale-dependent density profile that displays minimal broadening at a nanometer scale which defines the intrinsic density profile.

摘要

通过对自由水表面的大规模分子动力学模拟,获得了毛细波谱,并根据与波矢相关的表面张力进行了分析。弯曲刚度为正,但在存在长程色散相互作用时可能会改变符号。纳米粗糙度和毛细波产生了一种尺度依赖的密度分布,该分布在定义本征密度分布的纳米尺度上显示出最小的展宽。

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