A computer program which predicts the most probable crystal-structure type
| Project/Area Number |
63580047
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| Research Category |
Grant-in-Aid for General Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Research Field |
結晶学
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| Research Institution | University of the Ryukyus |
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Principal Investigator |
HOSOYA Masahiko University of the Ryukyus. Department of Physics, Associate Professor, 理学部・物理学科, 助教授 (80045004)
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| Co-Investigator(Kenkyū-buntansha) |
KAMIZATO Tsuneo University of the Ryukyus. Department of Physics, Associate Professor, 理学部・物理学科, 助教授 (60045002)
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| Project Period (FY) |
1988 – 1989
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| Project Status |
Completed (Fiscal Year 1989)
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| Budget Amount *help |
¥1,900,000 (Direct Cost: ¥1,900,000)
Fiscal Year 1989: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 1988: ¥900,000 (Direct Cost: ¥900,000)
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| Keywords | Expert-system / Crystal-structure / Bravais lattice / Reduced cell / 同定プログラム |
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| Research Abstract |
An Expert-system on computers has been studied which predicts the most probable crystal=structure type for any crystal about which we know only its atomic composition. As a preparatory step, a computer program was made which enumerates all the possible crystal-structure types for crystals whose space group and atomic composition are given. To specify a crystal=structure type uniquely, a fundamental region of the Bravais lattice was obtained as the convex polytope in the 6-dimensional parameter space. It has only 6 boundary hyperplanes which are much simpler than those of the reduced cells.
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Report
(3 results)
Research Products
(11 results)
