| Project/Area Number |
09355033
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| Research Category |
Grant-in-Aid for Scientific Research (A).
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| Allocation Type | Single-year Grants |
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| Section | 展開研究 |
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| Research Field |
高分子構造・物性(含繊維)
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| Research Institution | Osaka University |
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Principal Investigator |
TASHIRO Kohji Department of Macromolecular Science, Graduate School of Science, Professor, 大学院・理学研究科, 教授 (60171691)
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| Co-Investigator(Kenkyū-buntansha) |
GOTO Narushi Moleclar Simulations Incorporation, Research Leader, 応用科学研究主任
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| Project Period (FY) |
1997 – 2000
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| Project Status |
Completed (Fiscal Year 2000)
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| Budget Amount *help |
¥28,000,000 (Direct Cost: ¥28,000,000)
Fiscal Year 2000: ¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1999: ¥1,700,000 (Direct Cost: ¥1,700,000)
Fiscal Year 1998: ¥2,200,000 (Direct Cost: ¥2,200,000)
Fiscal Year 1997: ¥22,000,000 (Direct Cost: ¥22,000,000)
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| Keywords | Polymers / Structure / Mechanical Properties / X-ray Structure Analysis / Vibrational Spectra / Simulation / Phase Transition / Molecular Dynamics / 高次組織 / 結晶構造 / 非晶構造 / 力学物性 / 計算機 / ポリエチレン / 非昌構造 / 結晶領域 / 非晶領域 / 計算機シミュレーション / 分子力学 |
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| Research Abstract |
In order to build up new steps in solid-state science of polymers, various types of techniques have been developed for clarification of structure-property relationship from the microscopic level. In the experimental side, a new system was developed for the X-ray structure analysis by using an imaging plate system. In the theoretical side, a computer simulation technique has been applied to investigate the intimate relationship between structure, molecular motion, and property in the phase transition phenomena of various kinds of polymer crystals, where the power of computer was enhanced by introducing plural number of cpus with large memory size. For the simulation of structure-property relationship of the bulk samples, however, this computer system was too small to simulate the system consisting of several hundreds thousands of atoms. The present research could contribute remarkably to the development of the study of structure-property relationship of polymer crystals, which should work effectively and significantly as an important basis for the study of bulk polymer samples. Concretely speaking, the structural study and molecular dynamics calculation were made for various kinds of polymers : (1) simulation of temperature dependence of structure, molecular motion, and mechanical property of polyethylene crystal, (2) simulation of ferroelectric phase transition of vinylidene fluoride copolymers, (3) structure analysis of complicated packing state of rigid poly-p-phenylene benzobisoxazole fiber, (4) structural study of humidity effect on mechanical property of cellulose, and so on.
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