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Open AccessJournal ArticleDOI

Liquid water can slip on a hydrophilic surface.

TLDR
Simulation results demonstrate that hydrophilic surfaces can show features typically associated with hydrophobicity, namely liquid water slip, and this dichotomy might be purely coincidental.
Abstract
Understanding and predicting the behavior of water, especially in contact with various surfaces, is a scientific challenge. Molecular-level understanding of hydrophobic effects and their macroscopic consequences, in particular, is critical to many applications. Macroscopically, a surface is classified as hydrophilic or hydrophobic depending on the contact angle formed by a water droplet. Because hydrophobic surfaces tend to cause water slip whereas hydrophilic ones do not, the former surfaces can yield self-cleaning garments and ice-repellent materials whereas the latter cannot. The results presented herein suggest that this dichotomy might be purely coincidental. Our simulation results demonstrate that hydrophilic surfaces can show features typically associated with hydrophobicity, namely liquid water slip. Further analysis provides details on the molecular mechanism responsible for this surprising result.

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Citations
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Fast parallel algorithms for short-range molecular dynamics

TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI

Wettability effect on nanoconfined water flow

TL;DR: A simple model is proposed based on the concept of effective slip, which is a linear sum of true slip, depending on a contact angle, and apparent slip, caused by a spatial variation of the confined water viscosity as a function of wettability as well as the nanopore dimension, which shows that the flow capacity of confined water is 10−1∼107 times that calculated by the no-slip Hagen–Poiseuille equation.
Journal ArticleDOI

Friction of water on graphene and hexagonal boron nitride from ab initio methods: very different slippage despite very similar interface structures.

TL;DR: In this article, an ab initio molecular dynamics can be used to unravel the connection between the structure of nanoscale water and friction for liquid water in contact with graphene and with hexagonal boron nitride.
Journal ArticleDOI

Friction of Water on Graphene and Hexagonal Boron Nitride from ab initio Methods: Very Different Slippage Despite Very Similar Interface Structures

TL;DR: It is shown for the first time that ab initio molecular dynamics can be used to unravel the connection between the structure of nanoscale water and friction for liquid water in contact with graphene and with hexagonal boron nitride.
Journal ArticleDOI

Nanoconfinement-Mediated Water Treatment: From Fundamental to Application.

TL;DR: This perspective review will briefly summarize the current state-of-the-art of the nanomaterials as well as the nanoconfined analogues developed for water treatment, and put emphasis on the effects of nanoconfinement from three aspects, i.e., on the structure and behavior of water molecules, on the formation (e.g., crystallization) of confined nanommaterials, and on the nano-enabled chemical reactions.
References
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Journal ArticleDOI

Fast parallel algorithms for short-range molecular dynamics

TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.

Fast parallel algorithms for short-range molecular dynamics

TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Book

Intermolecular and surface forces

TL;DR: The forces between atoms and molecules are discussed in detail in this article, including the van der Waals forces between surfaces, and the forces between particles and surfaces, as well as their interactions with other forces.
Journal ArticleDOI

The missing term in effective pair potentials

TL;DR: On the other hand, in this paper, a superparamagnetically collapsed Mossbauer spectrum is obtained for carbon with fewer active sites, and these particles sinter and carburize in a manner more similar to that of Fe particles supported on graphite.
Journal ArticleDOI

Interfaces and the driving force of hydrophobic assembly

TL;DR: The hydrophobic effect — the tendency for oil and water to segregate — is important in diverse phenomena, from the cleaning of laundry to the creation of micro-emulsions to make new materials, to the assembly of proteins into functional complexes.
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