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ID 52229
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Title Alternative
Material design for the ceramics coating with high mold releasability by using molecular orbital calculations
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Author
Fujihara, Jiro
Abstract
 To explore the ceramic materials appropriate for the coatings with high mold releasability, molecular orbital (MO) calculations have been applied to the ceramics with NaCl structure, such as TiN, TiC, CrN, etc. Chemical bonding characters were evaluated based on the MO calculations, which were correlated to the experimental surface free energy. The dispersion and polar components of surface free energy indicated high correlation with the bond overlap population of the surface bonds and the net charge of inside atoms of the cluster models, respectively. Among the ceramic materials investigated, MoN had the lowest surface free energy, being expected to be most suitable as the ceramic coating material with high releasability
Keywords
Material design
Ceramic coating
Releasability
Molecular orbital calculation
Note
研究論文 環境物質工学科
Publication Title
岡山大学環境理工学部研究報告
Published Date
2014-03
Volume
volume19
Issue
issue1
Publisher
岡山大学環境理工学部
Publisher Alternative
Faculty of Environmental Science and Technology, Okayama University
Start Page
22
End Page
25
ISSN
2187-6940
Content Type
Departmental Bulletin Paper
OAI-PMH Set
岡山大学
language
日本語
File Version
publisher
NAID
Eprints Journal Name
fest