Publications associées à Cohésion (physique)

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Biomimetic Photodegradation of Glyphosate in Carborane-Functionalized Nanoconfined Spaces

Kyriakos Stylianou, Arunraj Chidambaram

The removal of organophosphorus (OP) herbicides fromwater hasbeen studied using adsorptive removal, chemical oxidation, electrooxidation,enzymatic degradation, and photodegradation. The OP herbicide glyphosate(GP) is one of the most used herbicides worldwi ...

AMER CHEMICAL SOC2023

Multi-scale approach for the prediction of atomic scale properties

Michele Ceriotti, Jigyasa Nigam, Andrea Grisafi

Electronic nearsightedness is one of the fundamental principles that governs the behavior of condensed matter and supports its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of machine-learning ...

2021

Design and Development of Injectable, Tough and Intrinsically-Adhesive Hydrogels for Biomedical Applications

Peyman Karami

Despite the development of hydrogels with a wide range of mechanical properties, insufficient adhesion between these materials and biological surfaces limits their use in the biomedical applications. Most recent advancements in highly adhesive hydrogel sys ...

EPFL2021

A discussion on the paper "Role of porosity on the stiffness and stability of (001) surface of the nanogranular C-S-H gel"

Paul Bowen, Aslam Kunhi Mohamed

This paper is a discussion of a recent publication by Sekkal and coworkers, which investigated the elasticity, cohesion, and stability of the C-S-H (001) surface as a function of porosity using molecular dynamics simulations. In our discussion, we highligh ...

Pergamon-Elsevier Science Ltd2017

Adhesion and interfacial healing between supramolecular hybrid networks and glass substrates

Véronique Michaud, Federica Sordo

Adhesion towards glass and interfacial healing of partially supramolecular hybrid polymer networks featuring a range of H-bdnds content were investigated through two dedicated adhesion test methods. In a first series of tests, adhesion strength was measure ...

Elsevier2017

Linear scaling of precipitation-driven soil erosion in laboratory flumes

David Andrew Barry, Seifeddine Jomaa

The proportionality between raindrop-driven soil erosion delivery and area of soil exposed to raindrops under a uniform precipitation rate was investigated in terms of individual size classes using laboratory flume experiments. In particular, we examined t ...

Elsevier Science Bv2017

Scaling laws for the mechanics of loose and cohesive granular materials based on Baxter's sticky hard spheres

Johan Alexandre Philippe Gaume, Henning Löwe

We have conducted discrete element simulations (PFC3D) of very loose, cohesive, granular assemblies with initial configurations which are drawn from Baxter's sticky hard sphere (SHS) ensemble. The SHS model is employed as a promising auxiliary means to ind ...

2017

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

Berend Smit, Daniele Ongari, Davide Tiana

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore bee ...

American Chemical Society2017

Foam on troubled water: Capillary induced finite-time arrest of sloshing waves

François Gallaire, Francesco Viola, Pierre-Thomas Paul Brun, Benjamin Jérémy Dollet

Interfacial forces exceed gravitational forces on a scale small relative to the capillary length-two millimeters in the case of an air-water interface-and therefore dominate the physics of sub-millimetric systems. They are of paramount importance for vario ...

Amer Inst Physics2016