書誌事項
- タイトル別名
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- Evaluations of Structures of Frenkel Defects and Ionic Conduction at Crystal Interfaces Using MD Simulations
- MD シミュレーション ニ ヨル リュウカイ イオン デンドウ ト ケッカン コウゾウ
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It is important to realize high ionic conduction for the practical use of solid state electrolytes. In order to increase the mobility of carrier ions in the electrolytes, investigation on the ionic diffusion mechanisms is necessary from the atomic point of view. We have studied the relationships between the ionic diffusion and the polycrystalline CuCl and NaCl structures at interfaces or grain boundaries using molecular dynamics (MD) simulations.<br>The simulation results showed the partial ionic diffusion rapidly increases in the vicinity of the interfaces of CuCl grains and that the structure is disordered near the interfaces. They also showed that the ionic diffusion near (100)-(100) interface is very intensive compared to any other interfaces. The ionic diffusion in CuCl is more intensive than that in NaCl, and it is greatly dependent on the structures at the interface. It is expected the conductivity will increase by controlling the interface structures.
収録刊行物
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- 粉体工学会誌
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粉体工学会誌 43 (9), 624-632, 2006
一般社団法人 粉体工学会
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詳細情報 詳細情報について
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- CRID
- 1390001204512139648
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- NII論文ID
- 130003777949
- 10018074682
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- NII書誌ID
- AN00222757
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- ISSN
- 18837239
- 03866157
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- NDL書誌ID
- 8093872
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
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- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可