Soft particles at a fluid interface

Soft particles can be used as an alternative to rigid particles, to stabilise fluid interfaces in the oil, food, and cosmetic industries. Using molecular dynamics simulations and continuum calculations, it is shown that the shape of soft elastic particles at a fluid interface is not only affected by their Young's modulus, but also strongly depends on their wettability, analogous to liquid droplets.

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Predicting the Young’s Modulus of Silicate Glasses using High-Throughput Molecular Dynamics Simulations and Machine Learning

Scientific Reports ◽

10.1038/s41598-019-45344-3 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 17

Author(s):

Kai Yang ◽

Xinyi Xu ◽

Benjamin Yang ◽

Brian Cook ◽

Herbert Ramos ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Young’S Modulus ◽

High Throughput ◽

Young's Modulus ◽

Silicate Glasses ◽

Dynamics Simulations

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Study on Young’s modulus of metallic nanowires using classical molecular dynamics simulations

Materials Today Proceedings ◽

10.1016/j.matpr.2020.09.800 ◽

2020 ◽

Author(s):

Soumya Saswati Sarangi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Young’S Modulus ◽

Young's Modulus ◽

Metallic Nanowires ◽

Classical Molecular Dynamics ◽

Dynamics Simulations

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Molecular dynamics simulations of heat and momentum transfer at a solid–fluid interface: Relationship between thermal and velocity slip

International Journal of Heat and Mass Transfer ◽

10.1016/j.ijheatmasstransfer.2006.03.005 ◽

2006 ◽

Vol 49 (19-20) ◽

pp. 3401-3407 ◽

Cited By ~ 56

Author(s):

Rajesh Khare ◽

Pawel Keblinski ◽

Arun Yethiraj

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Momentum Transfer ◽

Velocity Slip ◽

Fluid Interface ◽

Thermal And Velocity Slip ◽

Dynamics Simulations ◽

Heat And Momentum Transfer

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Molecular dynamics simulations of wetting and drying in LJ models of solid-fluid interfaces in the presence of liquid-vapour coexistence

Molecular Physics ◽

10.1080/00268979100101991 ◽

1991 ◽

Vol 73 (6) ◽

pp. 1383-1399 ◽

Cited By ~ 38

Author(s):

Phil Adams ◽

J.R. Henderson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Fluid Interfaces ◽

Wetting And Drying ◽

Dynamics Simulations

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Mechanical Properties of Hydrogen Functionalized Graphyne - A Molecular Dynamics Investigation

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.472-475.1813 ◽

2012 ◽

Vol 472-475 ◽

pp. 1813-1817 ◽

Cited By ~ 1

Author(s):

Yu Lin Yang ◽

Zhe Yong Fan ◽

Ning Wei ◽

Yong Ping Zheng

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Young’S Modulus ◽

Mechanical Performance ◽

Young's Modulus ◽

High Strength ◽

Strength And Stiffness ◽

Dynamics Simulations ◽

Structure Engineering

In this paper the mechanical properties of a series of hydrogen functionalized graphyne are investigated through acting tensile loads on the monolayer networks. Molecular dynamics simulations are performed to calculate the fracture strains and corresponding maximum forces for pristine graphyne along both armchair and zigzag directions. Furthermore, hydrogen functionalized graphynes with different functionalization sites are analyzed to investigate the effect of functionlization on the mechanical performance. Finally, Young's modulus of all the investigated architectures are computed. The obtained results show that monolayer graphyne is mechanically stable with high strength and stiffness, and the mechanical performance can be tuned through structure engineering and functionalization.

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A new method for investigating the surface tension from molecular dynamics simulations applied to liquid droplets

Computational Materials Science ◽

10.1016/j.commatsci.2004.01.020 ◽

2004 ◽

Vol 30 (1-2) ◽

pp. 126-130 ◽

Cited By ~ 5

Author(s):

N.T. Kirkman ◽

T. Stirner ◽

W.E. Hagston

Keyword(s):

Molecular Dynamics ◽

Surface Tension ◽

Molecular Dynamics Simulations ◽

New Method ◽

Liquid Droplets ◽

Dynamics Simulations

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Molecular Dynamics Simulations of the Influence of Drop Size and Surface Potential on the Contact Angle of Ionic-Liquid Droplets

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b04696 ◽

2016 ◽

Vol 120 (28) ◽

pp. 15244-15250 ◽

Cited By ~ 33

Author(s):

Ryan Burt ◽

Greg Birkett ◽

Mathieu Salanne ◽

X. S. Zhao

Keyword(s):

Molecular Dynamics ◽

Contact Angle ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Surface Potential ◽

Drop Size ◽

Liquid Droplets ◽

Dynamics Simulations

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Thermodynamics of linear and star polymers at fluid interfaces

Soft Matter ◽

10.1039/c4sm02102a ◽

2015 ◽

Vol 11 (1) ◽

pp. 81-93 ◽

Cited By ~ 10

Author(s):

Tseden Taddese ◽

Paola Carbone ◽

David L. Cheung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Thermodynamic Stability ◽

Structural Changes ◽

Star Polymers ◽

Model Systems ◽

Fluid Interfaces ◽

Dynamics Simulations

Performing molecular dynamics simulations on model systems we study the structural changes and thermodynamic stability of polymers of varying topology (linear and star-shaped) at interface between two liquids.

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Evaporation of liquid droplets of nano- and micro-meter size as a function of molecular mass and intermolecular interactions: experiments and molecular dynamics simulations

Soft Matter ◽

10.1039/c7sm00804j ◽

2017 ◽

Vol 13 (35) ◽

pp. 5858-5864 ◽

Cited By ~ 12

Author(s):

Robert Hołyst ◽

Marek Litniewski ◽

Daniel Jakubczyk

Keyword(s):

Molecular Dynamics ◽

Liquid Phase ◽

Molecular Dynamics Simulations ◽

Molecular Mass ◽

Intermolecular Interactions ◽

Md Simulations ◽

Liquid Droplets ◽

Molecular Masses ◽

Dynamics Simulations ◽

Evaporation Flux

On the basis of MD simulations and experiments we find the dependence of evaporation flux on molecular masses and interactions between molecules in the liquid phase for liquid droplets of sizes from tens of micrometers down to nanometers.

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Assembly of nanocrystal clusters by solvent evaporation: icosahedral order and the breakdown of the Maxwell regime

Soft Matter ◽

10.1039/d0sm00838a ◽

2020 ◽

Vol 16 (31) ◽

pp. 7350-7358 ◽

Cited By ~ 1

Author(s):

Elizabeth Macias ◽

Tommy Waltmann ◽

Alex Travesset

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Solvent Evaporation ◽

Liquid Droplets ◽

Dynamics Simulations

We carry out molecular dynamics simulations of N gold alkylthiolated nanocrystals (0 ≤ N ≤ 29) contained in liquid droplets of octane, nonane and decane coexisting with its vapor.

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