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We evaluate the thermal conductivity of a model nanofluid at various volume fractions of nanoparticles with equilibrium (EMD) and non-equilibrium (NEMD) molecular dynamics simulations. The Green-Kubo formalism is used for the EMD…

Soft Condensed Matter · Physics 2018-10-17 Irem Topal , James Servantie

This study utilizes molecular dynamics simulations to scrutinize the influence of type and volume fraction of nanoparticle on the density of nanofluids, i.e. silver (as a hydrophilic case) and titanium dioxide (as a hydrophobic case)…

Applied Physics · Physics 2021-05-20 M. M. Heyhat , M. Abbasi , A. Rajabpour

CO2 cooling systems are the wave of the future for industrial refrigeration. CO2 refrigeration systems are gaining traction in recent years which involves heat transfer between CO2 and the base fluid. The high viscosity of CO2 is of…

Atomic and Molecular Clusters · Physics 2020-10-19 Zeeshan Ahmed , Atul Bhargav

The use of CO2 as a natural refrigerant in data center cooling, oil recovery and in CO2 capture and storage which is gaining traction in recent years involves heat transfer between CO2 and the base fluid. A need arises to improve the…

Applied Physics · Physics 2017-09-04 Zeeshan Ahmed , Ajinkya Sarode , Pratik Basarkar , Atul Bhargav , Debjyoti Banerjee

We observed strongly size-dependent viscoelasticity in amorphous SiO2 and Si nanotubes with shell thickness down to ~8 nm. A core-shell model shows that a ~1 nm thick fluid-like surface layer has a significant effect on the mechanical…

Materials Science · Physics 2017-03-08 Matthew C. Wingert , Soonshin Kwon , Shengqiang Cai , Renkun Chen

Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…

Soft Condensed Matter · Physics 2013-01-10 Shengfeng Cheng , Gary S. Grest

For an accurate description of nanofluidic systems, it is crucial to account for the transport properties of liquids at surfaces on sub-nanometer scales, where classical hydrodynamics fails due to the finite range of surface-liquid…

Soft Condensed Matter · Physics 2025-10-07 Shane R. Carlson , Roland R. Netz

Liquids in contact with solids are submitted to intermolecular forces making liquids heterogeneous and stress tensors are not any more spherical as in homogeneous bulks. The aim of this article is to show that a square-gradient functional…

Classical Physics · Physics 2017-08-23 Henri Gouin

According to Stokes' law, a moving solid surface experiences dissipation that is linearly related to its velocity and the viscosity of the medium. This linear dependence on viscosity forms the basis for many characterization techniques for…

Chemical Physics · Physics 2016-10-04 Arindam Phani , Vakhtang Putkaradze , J. E. Hawk , Kovur Prashanthi , Thomas Thundat

The viscosity of liquids under nanoconfinement remains controversial. Reports range from spontaneous solidification to no change in the viscosity at all. Here, we present thorough measurements with a small-amplitude linear atomic force…

Soft Condensed Matter · Physics 2012-10-15 Shah H. Khan , Peter M. Hoffmann

Understanding the stability mechanism of surface micro/nanobubbles adhered to gas-evolving electrodes is essential for improving the efficiency of water electrolysis, which is known to be hindered by the bubble coverage on electrodes. Using…

Fluid Dynamics · Physics 2024-04-16 Yixin Zhang , Xiaojue Zhu , Jeffery A. Wood , Detlef Lohse

An aqueous suspension of silica nanoparticles or nanofluid can alter the wettability of surfaces, specifically by making them hydrophilic and oil-repellent under water. Wettability alteration by nanofluids have important technological…

Applied Physics · Physics 2021-08-13 Shidong Li , Anqi Sng , Dan Daniel , Hon Chung Lau , Ole Torsæter , Ludger P. Stubbs

Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…

Mesoscale and Nanoscale Physics · Physics 2013-07-23 Martin Horsch , Hans Hasse

We have developed a Green-Kubo relation that enables accurate calculations of friction at solid-liquid interfaces directly from equilibrium molecular dynamics (MD) simulations and that provides a pathway to bypass the time-scale limitations…

Statistical Mechanics · Physics 2016-08-08 Kai Huang , Izabela Szlufarska

Precise control over the flow behavior of liquids is a critical problem and is demanding for multifaceted applications. Introducing surface-engineered nanoparticles into the liquid can tune the flow behavior. However, the extent of…

Materials Science · Physics 2025-03-10 Prama Adhya , Sachin M. B. Gautham , Tarak K Patra , Manish Kaushal , Titash Mondal

On one hand, classical Monte Carlo and molecular dynamics (MD) simulations have been very useful in the study of liquids in nanotubes, enabling a wide variety of properties to be calculated in intuitive agreement with experiments. On the…

Fluid Dynamics · Physics 2013-11-12 Mihail Garajeu , Henri Gouin , Giuseppe Saccomandi

The theoretical Green-Kubo relation for viscosity is tested using experimentally obtained data. In a dusty plasma experiment, micron-size dust particles are introduced into a partially-ionized argon plasma, where they become negatively…

Plasma Physics · Physics 2015-05-30 Yan Feng , J. Goree , Bin Liu , E. G. D. Cohen

Viscosity, a fundamental transport and rheological property of liquids, quantifies the resistance to relative motion between molecular layers and plays a critical role in understanding material behavior. Conventional methods, such as the…

Soft Condensed Matter · Physics 2025-07-18 Ankit Singh , Vinay Vaibhav , Alessio Zaccone

We report on an extensive study of the viscosity of liquid water at near-ambient conditions, performed within the Green-Kubo theory of linear response and equilibrium ab initio molecular dynamics (AIMD), based on density-functional theory…

Materials Science · Physics 2022-07-05 Cesare Malosso , Linfeng Zhang , Roberto Car , Stefano Baroni , Davide Tisi

We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid such as water, surrounded by the gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapour…

Soft Condensed Matter · Physics 2023-11-23 A. J. Archer , B. D. Goddard , R. Roth
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