| ID | 52229 |
| JaLCDOI | |
| Sort Key | 5
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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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| FullText URL | |
| Author |
Fujihara, Jiro
Sakida, Shinichi
Kaken ID
researchmap
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| 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
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| Keywords | Material design
Ceramic coating
Releasability
Molecular orbital calculation
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| Note | 研究論文 環境物質工学科
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| Publication Title |
岡山大学環境理工学部研究報告
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| Published Date | 2014-03
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| Volume | volume19
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| Issue | issue1
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| Publisher | 岡山大学環境理工学部
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| Publisher Alternative | Faculty of Environmental Science and Technology, Okayama University
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| Start Page | 22
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| End Page | 25
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| ISSN | 2187-6940
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| Content Type |
Departmental Bulletin Paper
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| OAI-PMH Set |
岡山大学
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| language |
Japanese
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| File Version | publisher
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| NAID | |
| Eprints Journal Name | fest
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