Work

First-principles modeling of polysilazane-derived SiCNH ceramics: insights into the organization of the free-carbon phase

Year: 2026

Type: article

Abstract: The atomic-scale structure of a Si 32 C 25 N 24 H 19 composition, made from a polysilazane and assimilated into a silicon carbonitride ceramic, is studied via first-principles molecular dynamics simulations.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d5cp04954g

Authors: Fabien Mortier, Sylvian Cadars, Marwan Ben Miled, Olivier Masson, Guido Ori, Mauro Boero, Yun Wang, Samuel Bernard, Assil Bouzid

Institutions: Centre National de la Recherche Scientifique, Centre Européen de la Céramique, Institut de Recherche sur les Céramiques, Université de Limoges, Institut de Physique et Chimie des Matériaux de Strasbourg, Université de Strasbourg, Laboratoire des Sciences de l'Ingénieur, de l'Informatique et de l'Imagerie, Griffith University

Language: English

Topic: Advanced ceramic materials synthesis

Subfield: Ceramics and Composites

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: Centre National de la Recherche Scientifique, Grand Équipement National De Calcul Intensif

Awards: G2293465398, G2539671695

OpenAlex ID: W7160920922

FWCI:

Cites: 73

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Related to: 10