Concept

Extensivité et intensivité (physique)

Publications associées (274)

Computational fluid dynamics simulations of the heat transfer properties of graphene-based nanolubricants and application to hydrodynamic lubrication

In this paper, we consider experimental data available for graphene-based nanolubricants to evaluate their convective heat transfer performance by means of computational fluid dynamics (CFD) simulations. Single-phase models with temperature-dependent prope ...

Aip Publishing2024

Incommensurate phases

Gervais Chapuis

Incommensurately modulated crystalline phases are part of a more general family called aperiodic crystals. Their symmetry is treated within the theoretical framework of superspace groups that is a generalization of the 3D space groups that are used for con ...

Academic Press2024

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Tommaso Chiarotti

Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...

EPFL2023

Effect of Matrix Composition and Thermodynamic Properties on Virus Persistence in Respiratory Droplets

Athanasios Nenes, Tamar Kohn, Aline Laetitia Schaub, Shannon Christa David, Laura José Costa Henriques

It is now well-established that respiratory viruses can be transmitted by the airborne route, yet the parameters modulating the infectivity of viruses in aerosol particles are poorly understood. Through a combined experimental and computational approach, w ...

2023

Influence of the molecular weight and physical properties of a thermoplastic polymer on its dynamic wetting behavior

Valentin Rougier

The wetting dynamics of molten thermoplastic polymers, which are known to influence the force balance of the triple line, are not understood properly despite their importance in many industrial processes. In particular, the influence of the molecular weigh ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Hydro-mechanichal characterisation of bentonite/steel interfaces

Alessio Ferrari, Eleni Stavropoulou, Fabiana Sannasardo

The hydromechanical response of a Wyoming-type bentonite (MX-80) and its interface with steel was studied in terms of shear resistance under different hydration levels. A series of shear tests under constant normal stress were performed in total suction co ...

2023

Role of Minimum Adhesive Wear Particle Size in Third-Body Layer Properties

Jean-François Molinari, Son-Jonathan Pham-Ba

We employ a novel discrete element method (DEM) force formulation to simulate adhesive wear and assess the effects of material and loading parameters on the properties of the third-body layer (TBL) formed during sliding motion. The study emphasizes the rol ...

2023

From defect to effect: controlling electronic transport in chevron graphene nanoribbons

Oleg Yazyev, Kristians Cernevics

While bottom-up synthesis allows for precise control over the properties of graphene nanoribbons (GNRs), the use of certain precursor molecules can result in edge defects, such as missing benzene rings that resemble a 'bite'. We investigate the adverse eff ...

IOP Publishing Ltd2023

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Nicola Marzari, Tommaso Chiarotti, Andrea Ferretti

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...

AMER PHYSICAL SOC2022

Unified theory of atom-centered representations and message-passing machine-learning schemes

Michele Ceriotti, Guillaume André Jean Fraux, Sergey Pozdnyakov, Jigyasa Nigam

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on descriptions of atom-cen ...

AIP Publishing2022

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