JaLCDOI 10.18926/fest/52229
タイトル(別表記) Material design for the ceramics coating with high mold releasability by using molecular orbital calculations
フルテキストURL fest_019_022_025.pdf
著者 難波 徳郎| 藤原 二朗| 崎田 真一| 紅野 安彦|
抄録  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
キーワード Material design Ceramic coating Releasability Molecular orbital calculation
出版物タイトル 岡山大学環境理工学部研究報告
発行日 2014-03
開始ページ 22
終了ページ 25
ISSN 2187-6940
言語 Japanese
論文のバージョン publisher
NAID 120005394644