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Title: 立体フラーレン型化合物の構造選択則
Other Titles: Structure Selectivity of Space Fullerene Materials
Authors: 松本, 正和1 Browse this author →KAKEN DB
田中, 秀樹2 Browse this author →KAKEN DB
Authors(alt): Matsumoto, Masakazu1
Tanaka, Hideki2
Keywords: 結晶構造選択則
crystal structure selectivity
structure prediction
clathrate materials
free energy calculations
space fullerenes
Issue Date: 31-Mar-2013
Publisher: 北海道大学低温科学研究所
Journal Title: 低温科学
Journal Title(alt): Low Temperature Science
Volume: 71
Start Page: 161
End Page: 171
Abstract: クラスレートハイドレートの安定性を求める標準理論と, Frank-Kasper型合金の結晶構造の経験則から, クラスレート化合物の結晶構造選択則の基本原理を導いた. なぜクラスレートハイドレートの結晶構造の多様性が小さいのかを説明し, 新たな結晶構造を探索する指針を提案する.
A fundamental principle on the crystal structure selectivity for the clathrate materials is derived from the standard theory on the stability of the clathrate hydrates and the empirical rule for the Frank-Kasper phases of alloys. It explains why the number of naturally-occurring clathrate structures is limited out of a diversity of possible structures and proposes a guideline to explore the new crystal structures.
Type: bulletin (article)
Appears in Collections:低温科学 = Low Temperature Science > 第71巻

Submitter: 低温科学研究所図書室

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