Stability, equilibrium morphology and hydration of ZrC(111) and (110) surfaces with H2O: a combined periodic DFT and atomistic thermodynamic study
Author:
Affiliation:
1. Unité de Catalyse et Chimie du Solide (UCCS)
2. UMR-CNRS 8181
3. 59655 Villeneuve d'Ascq, Lille
4. France
5. Laboratoire Science des Procédés Céramiques et de Traitements de Surface (SPCTS)
6. UMR-CNRS 7315
7. 87068 Limoges
Abstract
ZrC is a non-oxide ultra-high temperature ceramic (UHTC) material with excellent physical and mechanical properties used in nuclear plants and jet propulsion engines.
Funder
Agence Nationale de la Recherche
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP03031E
Reference28 articles.
1. L. E. Toth , Transition metal carbides and nitrides, Academic press, New York, 1971
2. Structural evolution of zirconium carbide under ion irradiation
3. Oxidation analysis of 2D C/ZrC–SiC composites with different coating structures in CH4 combustion gas environment
4. Effect of the polycarbosilane structure on its final ceramic yield
5. Polymer Derived Engineering Ceramics
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