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

Wang, Gerald J.; Hadjiconstantinou, Nicolas G.

doi:10.1103/PhysRevFluids.2.094201

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

Authors:: Wang, Gerald J.; Hadjiconstantinou, Nicolas G.

Publication Date:: Tue Sep 05 00:00:00 EDT 2017

Sponsoring Org.:: USDOE

OSTI Identifier:: 1378417

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

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

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.

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                    Wang, Gerald J., & Hadjiconstantinou, Nicolas G. Molecular mechanics and structure of the fluid-solid interface in simple fluids.  United States.  https://doi.org/10.1103/PhysRevFluids.2.094201

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                    Wang, Gerald J., and Hadjiconstantinou, Nicolas G. Tue .  
"Molecular mechanics and structure of the fluid-solid interface in simple fluids".  United States.  https://doi.org/10.1103/PhysRevFluids.2.094201.

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@article{osti_1378417,

  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         = {Tue Sep 05 00:00:00 EDT 2017},

  month        = {Tue Sep 05 00:00:00 EDT 2017}

}

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

Citation Formats

The interfacial density profile of a Lennard‐Jones fluid in contact with a (100) Lennard‐Jones wall and its relationship to idealized fluid/wall systems: A Monte Carlo simulation journal, April 1978

Nanostructured materials for water desalination journal, June 2011

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

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

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

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

Enhanced flow in carbon nanotubes journal, November 2005

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

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

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

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

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

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

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

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

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

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

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

Grand ensemble Monte-Carlo studies of physical adsorption: II. The structure of the adsorbate. Critique of theories of multilayer adsorption for 12-6 argon on a plane homogeneous solid journal, February 1976

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

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

Graphene and graphene oxide for desalination journal, January 2016

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

The phases of two-dimensional matter, their transitions, and solid-state stability: A perspective via computer simulation of simple atomic systems journal, December 1981

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

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

VMD: Visual molecular dynamics journal, February 1996

The interfacial density profile of a Lennard‐Jones fluid in contact with a (100) Lennard‐Jones wall and its relationship to idealized fluid/wall systems: A Monte Carlo simulation
journal, April 1978

Nanostructured materials for water desalination
journal, June 2011

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

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

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

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

Enhanced flow in carbon nanotubes
journal, November 2005

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

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

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

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

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

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

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

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

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

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

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

Grand ensemble Monte-Carlo studies of physical adsorption: II. The structure of the adsorbate. Critique of theories of multilayer adsorption for 12-6 argon on a plane homogeneous solid
journal, February 1976

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

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

Graphene and graphene oxide for desalination
journal, January 2016

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

The phases of two-dimensional matter, their transitions, and solid-state stability: A perspective via computer simulation of simple atomic systems
journal, December 1981

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

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

VMD: Visual molecular dynamics
journal, February 1996