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Title: Molecular mechanics and structure of the fluid-solid interface in simple fluids

Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
FG02-97ER25308; AC02-06CH11357
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Fluids
Additional Journal Information:
Journal Name: Physical Review Fluids Journal Volume: 2 Journal Issue: 9; Journal ID: ISSN 2469-990X
American Physical Society
Country of Publication:
United States

Citation Formats

Wang, Gerald J., and Hadjiconstantinou, Nicolas G. Molecular mechanics and structure of the fluid-solid interface in simple fluids. United States: N. p., 2017. Web. doi:10.1103/PhysRevFluids.2.094201.
Wang, Gerald J., & Hadjiconstantinou, Nicolas G. Molecular mechanics and structure of the fluid-solid interface in simple fluids. United States. doi:10.1103/PhysRevFluids.2.094201.
Wang, Gerald J., and Hadjiconstantinou, Nicolas G. Tue . "Molecular mechanics and structure of the fluid-solid interface in simple fluids". United States. doi:10.1103/PhysRevFluids.2.094201.
title = {Molecular mechanics and structure of the fluid-solid interface in simple fluids},
author = {Wang, Gerald J. and Hadjiconstantinou, Nicolas G.},
abstractNote = {},
doi = {10.1103/PhysRevFluids.2.094201},
journal = {Physical Review Fluids},
number = 9,
volume = 2,
place = {United States},
year = {2017},
month = {9}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevFluids.2.094201

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Cited by: 4 works
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Works referenced in this record:

Nanostructured materials for water desalination
journal, June 2011

Strain Engineering of Kapitza Resistance in Few-Layer Graphene
journal, January 2014

  • Chen, Jie; Walther, Jens H.; Koumoutsakos, Petros
  • Nano Letters, Vol. 14, Issue 2
  • DOI: 10.1021/nl404182k

Hybrid Atomistic–Continuum Formulations and the Moving Contact-Line Problem
journal, September 1999

  • Hadjiconstantinou, Nicolas G.
  • Journal of Computational Physics, Vol. 154, Issue 2
  • DOI: 10.1006/jcph.1999.6302

Fluid flow in carbon nanotubes and nanopipes
journal, February 2007

Mechanism of Temperature Dependent Thermal Transport across the Interface between Self-Assembled Monolayer and Water
journal, November 2016

  • Hung, Shih-Wei; Kikugawa, Gota; Shiomi, Junichiro
  • The Journal of Physical Chemistry C, Vol. 120, Issue 47
  • DOI: 10.1021/acs.jpcc.6b09516

Enhancing solid-liquid interface thermal transport using self-assembled monolayers
journal, May 2015

  • Tian, Zhiting; Marconnet, Amy; Chen, Gang
  • Applied Physics Letters, Vol. 106, Issue 21
  • DOI: 10.1063/1.4921758

Enhanced flow in carbon nanotubes
journal, November 2005

  • Majumder, Mainak; Chopra, Nitin; Andrews, Rodney
  • Nature, Vol. 438, Issue 7064
  • DOI: 10.1038/438044a

Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes
journal, May 2006

Deconstructing Temperature Gradients across Fluid Interfaces: The Structural Origin of the Thermal Resistance of Liquid-Vapor Interfaces
journal, July 2017

The Nanoscale Basis of CO 2 Trapping for Geologic Storage
journal, August 2015

  • Bourg, Ian C.; Beckingham, Lauren E.; DePaolo, Donald J.
  • Environmental Science & Technology, Vol. 49, Issue 17
  • DOI: 10.1021/acs.est.5b03003

Diameter and helicity effects on static properties of water molecules confined in carbon nanotubes
journal, January 2004

  • Wang, Jun; Zhu, Yu; Zhou, Jian
  • Physical Chemistry Chemical Physics, Vol. 6, Issue 4
  • DOI: 10.1039/b313307a

Interatomic potential-based semiclassical theory for Lennard-Jones fluids
journal, November 2007

  • Raghunathan, A. V.; Park, J. H.; Aluru, N. R.
  • The Journal of Chemical Physics, Vol. 127, Issue 17
  • DOI: 10.1063/1.2793070

Carbon nanotubes, buckyballs, ropes, and a universal graphitic potential
journal, November 2000

The density of water in carbon nanotubes
journal, April 2008

Aligned Multiwalled Carbon Nanotube Membranes
journal, January 2004

Density, distribution, and orientation of water molecules inside and outside carbon nanotubes
journal, February 2008

  • Thomas, J. A.; McGaughey, A. J. H.
  • The Journal of Chemical Physics, Vol. 128, Issue 8
  • DOI: 10.1063/1.2837297

Origin of Stick-Slip Motion in Boundary Lubrication
journal, November 1990

Reduced water density at hydrophobic surfaces: Effect of dissolved gases
journal, June 2005

  • Doshi, D. A.; Watkins, E. B.; Israelachvili, J. N.
  • Proceedings of the National Academy of Sciences, Vol. 102, Issue 27
  • DOI: 10.1073/pnas.0504034102

Compressibility route to solvation structure
journal, September 1986

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Why are fluid densities so low in carbon nanotubes?
journal, May 2015

  • Wang, Gerald J.; Hadjiconstantinou, Nicolas G.
  • Physics of Fluids, Vol. 27, Issue 5
  • DOI: 10.1063/1.4921140

Hydrogen bond structure of liquid water confined in nanotubes
journal, October 2000

Helicity and temperature effects on static properties of water molecules confined in modified carbon nanotubes
journal, January 2006

  • Huang, Liang-Liang; Shao, Qing; Lu, Ling-Hong
  • Physical Chemistry Chemical Physics, Vol. 8, Issue 33
  • DOI: 10.1039/b604585p

Flow structure of water in carbon nanotubes: Poiseuille type or plug-like?
journal, April 2006

  • Hanasaki, Itsuo; Nakatani, Akihiro
  • The Journal of Chemical Physics, Vol. 124, Issue 14
  • DOI: 10.1063/1.2187971

Fluid structure and transport properties of water inside carbon nanotubes
journal, December 2005

  • Liu, Yingchun; Wang, Qi; Wu, Tao
  • The Journal of Chemical Physics, Vol. 123, Issue 23
  • DOI: 10.1063/1.2131070

Canonical dynamics: Equilibrium phase-space distributions
journal, March 1985

Giant osmotic energy conversion measured in a single transmembrane boron nitride nanotube
journal, February 2013

  • Siria, Alessandro; Poncharal, Philippe; Biance, Anne-Laure
  • Nature, Vol. 494, Issue 7438
  • DOI: 10.1038/nature11876

Nano-oncology: drug delivery, imaging, and sensing
journal, January 2006

  • Portney, Nathaniel G.; Ozkan, Mihrimah
  • Analytical and Bioanalytical Chemistry, Vol. 384, Issue 3
  • DOI: 10.1007/s00216-005-0247-7

Graphene and graphene oxide for desalination
journal, January 2016

  • You, Yi; Sahajwalla, Veena; Yoshimura, Masamichi
  • Nanoscale, Vol. 8, Issue 1
  • DOI: 10.1039/C5NR06154G

Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon
journal, December 1988

Shear flow near solids: Epitaxial order and flow boundary conditions
journal, June 1990

Water conduction through the hydrophobic channel of a carbon nanotube
journal, November 2001

  • Hummer, G.; Rasaiah, J. C.; Noworyta, J. P.
  • Nature, Vol. 414, Issue 6860
  • DOI: 10.1038/35102535

Kapitza Resistance between Few-Layer Graphene and Water: Liquid Layering Effects
journal, August 2015

A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

  • Nosé, Shuichi
  • The Journal of Chemical Physics, Vol. 81, Issue 1
  • DOI: 10.1063/1.447334

Influence of wetting properties on hydrodynamic boundary conditions at a fluid/solid interface
journal, January 1999

  • Barrat, Jean-Louis; Bocquet, Lyde′ric
  • Faraday Discussions, Vol. 112
  • DOI: 10.1039/a809733j

VMD: Visual molecular dynamics
journal, February 1996