Title :

Modeling and characterization of the nucleation and growth of carbon nanostructures in physical synthesis

Author(s) :

Rossi, Kevin [Auteur]
Ecole Polytechnique Fédérale de Lausanne [EPFL]
Förster, Georg Daniel [Auteur]
Interfaces, Confinement, Matériaux et Nanostructures [ ICMN]
Zeni, Claudio [Auteur]
Lam, Julien [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207

Journal title :

Carbon Trends

Abbreviated title :

Carbon Trends

Volume number :

11

Pages :

100268

Publisher :

Elsevier BV

Publication date :

2023-06

ISSN :

2667-0569

English keyword(s) :

Carbon formation
Molecular dynamics
Carbon characterization
Carbon gas nucleation and growth

HAL domain(s) :

Chimie/Matériaux
Planète et Univers [physics]/Sciences de la Terre

English abstract : [en]

Carbon nanostructures formed through physical synthesis come in a variety of sizes and shapes. With the end goal of rationalizing synthetic pathways of carbon nanostructures as a function of tunable parameters in the ...
Show more >Carbon nanostructures formed through physical synthesis come in a variety of sizes and shapes. With the end goal of rationalizing synthetic pathways of carbon nanostructures as a function of tunable parameters in the synthesis, we investigate how the initial density and quench rate influence the morphology of carbon nanostructures obtained from the cooling of a gas of atomic carbon by molecular dynamics simulations. For the structural analysis, we combine classical order parameters with a data-driven approach based on local density descriptors and kernel similarity measurements. Aided by this complementary set of tools, we describe in detail the formation of carbon nanostructures from the gas phase. Their formation proceeds through the nucleation of small liquid carbon nanoclusters followed by growth into unique objects. We find that ordered structures can only be obtained at certain quenching rates and that among those, fullerene-like particles are favored at intermediate densities while nanotubes-like structures require higher initial densities.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
INRAE
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Plasticité

Submission date :

2023-12-21T07:45:01Z
2023-12-22T10:06:30Z
2023-12-22T10:11:55Z