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Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on…

Chemical Physics · Physics 2016-12-07 Andrea Zen , Loïc M Roch , Stephen J Cox , Xiao L Hu , Sandro Sorella , Dario Alfè , Angelos Michaelides

The wetting and filling properties of a fluid adsorbed on a solid grooved substrate are studied by means of a microscopic density functional theory. The grooved substrates are modelled using a solid slab, interacting with the fluid…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Alexandr Malijevsky

Colloidosomes provide a possibility to encapsulate oily substances in water in the form of core-in-shell structures. In this study, we produced microcapsules with shell from colloidal particles, where the interparticle openings are blocked…

Scalar-relativistic DFT-GGA has been used to study adsorption of water in molecular and dissociative configurations on delta-Plutonium (111) surface. In molecular state, water is physisorbed in an almost flat-lying orientation at a one-fold…

Materials Science · Physics 2009-11-13 Raymond Atta-Fynn , Asok K. Ray

Silicone is frequently used as a model system to investigate and tune wetting on soft materials. Silicone is biocompatible and shows excellent thermal, chemical, and UV stability. Moreover, the mechanical properties of the surface can be…

Soft Condensed Matter · Physics 2024-07-04 Lukas Hauer , Abhinav Naga , Rodrique G. M. Badr , Jonathan T. Pham , William S. Y. Wong , Doris Vollmer

We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…

Materials Science · Physics 2022-04-27 Paola C. Torche , Andrea Silva , Denis Kramer , Tomas Polcar , Ondrej Hovorka

A numerical model is proposed to simulate the adhesion, compression, and subsequent detachment of a micro-liter droplet from a superhydrophobic surface composed of chemically homogeneous pillars arranged in a periodic fashion, replicating a…

Fluid Dynamics · Physics 2025-11-27 Pawan Kumar , Joseph D. Berry

Experimental two-phase invasion percolation flow patterns were observed in hydrophobic micro-porous networks designed to model fuel cell specific porous media. In order to mimic the operational conditions encountered in the porous…

Fluid Dynamics · Physics 2009-09-07 Viatcheslav Berejnov , Aimy Bazylak , David Sinton , Ned Djilali

We study by molecular dynamics simulations the wetting/dewetting transition and the dependence of the free energy on distance between plates that contain both hydrophobic and hydrophilic particles. We show that dewetting and strength of…

Soft Condensed Matter · Physics 2009-01-29 Lan Hua , Ronen Zangi , B. J. Berne

We theoretically and experimentally investigate colloid-oil-water-interface interactions of charged, sterically stabilized, poly(methyl-methacrylate) colloidal particles dispersed in a low-polar oil (dielectric constant $\epsilon=5-10$)…

This work presents a rigorous mathematical formulation for topology optimization of a macrostructure undergoing ductile failure. The prediction of ductile solid materials which exhibit dominant plastic deformation is an intriguingly…

Numerical Analysis · Mathematics 2023-03-22 Nima Noii , Hassan Ali Jahangiry , Haim Waisman

A fluid droplet located on a super-hydrophobic surface makes contact with the surface only at small isolated regions, and is mostly in contact with the surrounding air. As a result, a fluid in motion near such a surface experiences very low…

Fluid Dynamics · Physics 2011-08-30 Anthony M. J. Davis , Eric Lauga

Dense particle-fluid mixtures, or \emph{pastes}, are encountered in the production of various materials, including animal feed, human food, pharmaceuticals, and biomass for bioenergy. The flow behavior of such dense deformable particulate…

Injections of large volumes of water into tight shale reservoirs allows the extraction of oil and gas not previously accessible. This large volume "super" fracking induces damage that allows the oil and/or gas to flow to an extraction well.…

Geophysics · Physics 2015-03-06 J. Quinn Norris , Donald L. Turcotte , John B. Rundle

Adsorption of small amphiphilic molecules occurs in various biological and technological processes, sometimes desired, the other times unwanted (e.g., contamination). Surface-active molecules preferentially bind to interfaces and affect…

Soft Condensed Matter · Physics 2022-11-24 Fabio Staniscia , Horacio V. Guzman , Matej Kanduč

The layer-by-layer (LbL) technique is adopted for the construction of multilayers encompassing chitosan and graphene oxide (GO) platelets capable of improving the flame retardant properties open cell PU foams. The LbL assembly follows a…

Chemical Physics · Physics 2018-06-29 Lorenza Maddalena , Federico Carosio , Julio Gomez , Guido Saracco , Alberto Fina

This work develops and analyzes a novel fractional-order chemostat system (FOCS) with a Caputo fractional derivative (CFD) featuring a sliding memory window and periodic boundary conditions (PBCs), designed to model microbial pollutant…

Optimization and Control · Mathematics 2025-06-24 Kareem T. Elgindy

We studied the effects on oil sweep efficiency of the proportion, hierarchical organization, and connectivity of high-permeability open-framework conglomerate (OFC) cross-sets within the multi-scale stratal architecture found in fluvial…

Purpose: To develop a fat-water separation approach that corrects bipolar readout gradient induced effects, without additional scans, that is compatible with any fat-water separation method. Theory and Methods: The proposed approach…

Medical Physics · Physics 2025-05-20 Jorge Campos Pazmino , Renée-Claude Bider , Véronique Fortier , Ives R. Levesque

Deterministic lateral displacement (DLD) is a popular technique for size-based separation of particles. One of the challenges in design of DLD chips is to eliminate the disturbance of fluid flow patterns caused by channel sidewalls…

Fluid Dynamics · Physics 2025-03-25 Aryan Mehboudi , Shrawan Singhal , S. V. Sreenivasan