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Accurate estimation of surface wettability for various degrees of hydrophobicity becomes increasingly important in the molecular design of membrane. In this paper, we develop simple yet physically realistic model for estimating contact…

Soft Condensed Matter · Physics 2018-01-08 Meysam Makaremi , Myung S. Jhon , Meagan S. Mauter , Lorenz T. Biegler

In this paper, a novel method for the measurement of equilibrium contact angle of highly volatile binary liquids is proposed. The proposed method, which combines finite element method and energy equilibration, is able to calculate the…

Soft Condensed Matter · Physics 2019-08-02 K Nilavarasi , V. Madhurima

Molecular Dynamics (MD) simulations are a powerful tool for studying matter at the atomic scale. However, to simulate solids, an initial atomic structure is crucial for the successful execution of MD simulations, but can be difficult to…

Computational Physics · Physics 2024-11-27 Lars Dammann , Richard Kohns , Patrick Huber , Robert H. Meißner

Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent…

Fluid Dynamics · Physics 2015-04-13 Monojit Chakraborty , Anamika Chowdhury , Richa Bhusan , Sunando DasGupta

Many species, from single-cell bacteria to advanced animals, use molecular communication (MC) to share information with each other via chemical signals. Although MC is mostly studied in microscale, new practical applications emerge in…

Fluid Dynamics · Physics 2021-03-30 Fatih Gulec , Baris Atakan

Wetting is a widespread phenomenon, most prominent in a number of cases, both in nature and technology. Droplets of pure water with initial radius ranging from 20 to 80 [\AA] spreading on graphitic surfaces are studied by molecular dynamics…

Chemical Physics · Physics 2012-08-28 Danilo Sergi , Giulio Scocchi , Alberto Ortona

Droplets on hydrophobic surfaces are ubiquitous in microfluidic applications and there exists a number of commonly used multicomponent and multiphase lattice Boltzmann schemes to study such systems. In this paper we focus on a popular…

Fluid Dynamics · Physics 2011-02-02 Sebastian Schmieschek , Jens Harting

Controlling the shape and position of moving and pinned droplets on a solid surface is an important feature often found in microfluidic applications. However, automating them, e.g., for high-throughput applications, does rarely involve…

Fluid Dynamics · Physics 2020-07-09 Henning Bonart , Christian Kahle , Jens-Uwe Repke

This paper outlines a numerical algorithm that could be used for simulating full 3D dynamics of magnetic fluid droplet shapes in external magnetic fields, by solving boundary integral equations. The algorithm works with arbitrary droplet…

Fluid Dynamics · Physics 2022-03-18 Aigars Langins , Andris P. Stikuts , Andrejs Cēbers

We construct a novel model for the steady-state contact angles of liquid droplets at the wetted substrate. The non-removable, thin liquid film covering the substrate is governed by the intermolecular forces between molecules of liquid and…

Fluid Dynamics · Physics 2022-10-19 Leonid Pekker , David Pekker , Nikolai Petviashvili

With the massive data challenges nowadays and the rapid growing of technology, stream mining has recently received considerable attention. To address the large number of scenarios in which this phenomenon manifests itself suitable tools are…

Machine Learning · Computer Science 2016-04-19 Jorge Luis Rivero Perez , Bernardete Ribeiro , Carlos Morell Perez

Theoretical and experimental investigations of water vapor interaction with porous materials are very needful for various fields of science and technology. Not only studies of the interaction of water vapor and porous material as a…

Computational Physics · Physics 2018-12-20 V. V. Korenkov , E. G. Nikonov , M. Popovičová

DeepAngle is a machine learning-based method to determine the contact angles of different phases in the tomography images of porous materials. Measurement of angles in 3--D needs to be done within the surface perpendicular to the angle…

Computer Vision and Pattern Recognition · Computer Science 2022-11-29 Arash Rabbani , Chenhao Sun , Masoud Babaei , Vahid J. Niasar , Ryan T. Armstrong , Peyman Mostaghimi

In Molecular Dynamics (MD) simulations, interactions between water molecules and graphitic surfaces are often modeled as a simple Lennard-Jones potential between oxygen and carbon atoms. A possible method for tuning this parameter consists…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Giulio Scocchi , Danilo Sergi , Claudio D'Angelo , Alberto Ortona

Equilibrium contact angle of liquid drops over horizontal surfaces has been modeled using Smoothed Particle Hydrodynamics (SPH). The model is capable of accurate implementation of contact angles to stationary and moving contact lines. In…

Fluid Dynamics · Physics 2016-08-10 Amirsaman Farrokhpanah , Babak Samareh , Javad Mostaghimi

The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of…

The molecular structure of moving contact lines (MCLs) and the emergence of a corresponding macroscopic dissipation have made the MCL a paradigm of fluid dynamics. Through novel averaging techniques that remove capillary waves smearing we…

Soft Condensed Matter · Physics 2022-11-02 Amal K. Giri , Paolo Malgaretti , Dirk Peschka , Marcello Sega

We theoretically investigate the apparent contact angle of droplets on liquid infused surfaces as a function of the relative size of the wetting ridge and the deposited droplet. We provide an intuitive geometrical interpretation whereby the…

Soft Condensed Matter · Physics 2021-05-12 Ciro Semprebon , Muhammad Subkhi Sadullah , Glen McHale , Halim Kusumaatmaja

We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface, and the vapor-liquid surface tension of a fluid. The method…

Soft Condensed Matter · Physics 2018-11-14 Hao Jiang , Suruchi Fialoke , Zachariah Vicars , Amish J. Patel

Previously [arXiv:2103.15582v3], an expression was proposed for the evaporation flux density of a small liquid droplet having the shape of an axisymmetric spherical segment deposited on a horizontal substrate. The dependence of the flux…

Soft Condensed Matter · Physics 2023-06-09 Peter Lebedev-Stepanov
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