書誌事項
- タイトル別名
-
- Proposition of a First-Principles Aided Triple-Scale Analysis for Biocompatible Piezoelectric Thin Films
- セイタイ テキゴウ アツデン ハクマク ニ タイスル ダイイチ ゲンリ エンヨウ トリプル スケール カイセキ ノ テイアン
この論文をさがす
説明
A computational scheme of first-principles aided triple-scale analysis based on a process crystallography was proposed to design biocompatible piezoelectric thin films fabricated on substrate. To predict the crystal morphology of thin film such as preferred orientations and their ratio, the structural stability of all conformations of crystal cluster on substrate was evaluated by employing pseudo-potential method in density functional theory. Then, the predicted crystal morphology was introduced into micro structure and macro homogenized properties of piezoelectric thin film were estimated through dual-scale finite element analysis based on crystallographic homogenization theory. From the application to the existing biocompatible piezoelectric BaTiO3thin films fabricated on SrTiO3 (110), SrTiO3 (001) and MgO (100), computational results of the preferred orientations of microstructure and the homogenized dielectric constants of macrostructure had good correlation with experimental ones. Additionally, the proposed computation was applied to a new biocompatible piezoelectric MgSiO3thin film, which has been found by first-principles calculations in our previous studies. As a result, the computation indicated that Cr (110) substrate is most suitable for stable crystal growth of MgSiO3orientated to [101] direction and it outputs the high piezoelectric stress constants e33=5.39 C/m2 ande31=-3.64 C/m2.
収録刊行物
-
- 日本機械学会論文集Ａ編
-
日本機械学会論文集Ａ編 74 (747), 1405-1410, 2008
一般社団法人 日本機械学会
- Tweet
キーワード
詳細情報 詳細情報について
-
- CRID
- 1390282679456172416
-
- NII論文ID
- 110006990184
-
- NII書誌ID
- AN0018742X
-
- COI
- 1:CAS:528:DC%2BD1MXis12msr4%3D
-
- ISSN
- 18848338
- 03875008
-
- NDL書誌ID
- 9729365
-
- 本文言語コード
- ja
-
- データソース種別
-
- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
-
- 抄録ライセンスフラグ
- 使用不可
