Abstract

This paper presents recent advances in the characterization of the intrinsic structures incomputer simulations of liquid surfaces. The use of operational definitions for the intrinsicsurface, associated with each molecular configuration of a liquid slab, gives direct access tothe intrinsic profile and to the wavevector dependent surface tension. However, thecharacteristics of these functions depend on the definition used for the intrinsicsurface. We discuss the pathologies associated with a local Gibbs dividing surfacedefinition, and consider the alternative definition of a minimal area surface, goingthough a set of surface pivots, self-consistently chosen to represent the first liquidlayer.

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