Abstract

A new structural index for water, V₄S, is introduced and analyzed as a metric suitable for generic contexts beyond bulk conditions, including hydration and nanoconfinement. The paper studies water models over a range of temperatures spanning normal liquid and supercooled regimes, and applies the index to graphene-like confinement settings and functionalized surfaces to rationalize two-state behavior, wettability, hydrophobicity, filling, and drying transitions.

Abstract

A new structural index for water, V₄S, is introduced and analyzed as a metric suitable for generic contexts beyond bulk conditions, including hydration and nanoconfinement. The paper studies water models over a range of temperatures spanning normal liquid and supercooled regimes, and applies the index to graphene-like confinement settings and functionalized surfaces to rationalize two-state behavior, wettability, hydrophobicity, filling, and drying transitions.

Abstract

A new structural index for water, V₄S, is introduced and analyzed as a metric suitable for generic contexts beyond bulk conditions, including hydration and nanoconfinement. The paper studies water models over a range of temperatures spanning normal liquid and supercooled regimes, and applies the index to graphene-like confinement settings and functionalized surfaces to rationalize two-state behavior, wettability, hydrophobicity, filling, and drying transitions.

Abstract

A new structural index for water, V₄S, is introduced and analyzed as a metric suitable for generic contexts beyond bulk conditions, including hydration and nanoconfinement. The paper studies water models over a range of temperatures spanning normal liquid and supercooled regimes, and applies the index to graphene-like confinement settings and functionalized surfaces to rationalize two-state behavior, wettability, hydrophobicity, filling, and drying transitions.