1995 Fiscal Year Final Research Report Summary
Breakthrough of Structure-Property Problem of Polymers : Development of a Computer-Aided New Methodology
| Project/Area Number |
04403020
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| Research Category |
Grant-in-Aid for General Scientific Research (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
高分子物性・高分子材料（含機械材料）
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| Research Institution | Osaka University |
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Principal Investigator |
TASHIRO Kohji Department of Macromolecular Science, Faculty of Science, Associate Professor, 理学部, 助教授 (60171691)
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| Project Period (FY) |
1992 – 1995
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| Keywords | Polymers / Structure / Physical Properties / Crystal Structure / Elastic Constants / Phase Transition / Simulation / X-ray Structure Analysis |
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| Research Abstract |
Recently there have been published many papers entitled "Clarification of relationship between structure and property of functionality polymers". Unfortunately, however, the excellent researches are quite limited in number which discuss this relationship on the basis of the orthodox methodology. When we try to study this relationship from more profound viewpoint, we may need not only the conventional methods but also the computer-aided new methodology. But it is practically impossible at the present stage to attack directly the clarification of the structure-property relationship of the bulk polymers with complicated structure constructed by an aggregation of crystalline, amorphous and intermediate phases. Rather it may be more useful and more informative to focus our attention onto the structure-property relationship of the crystalline region of polymers with definite and concrete structural data. The central them of the present research is to develop the new methodology which can clarify the structure-property relationship of the polymer crystals truly from the molecular-structural level. Concretely speaking we have succeeded in getting the following results. (1) Development of a new theory to calculate the mechanical property of polymer crystals, (2) Molecular design of three-dimensionally strong polymer materials, (3) Simulation of structural change occurring in the phase transition of polymer crystals in relation to the change of the physical property, and (4) Development of a new computer soft to carry out the X-ray structural analysis of polymer crystals. The dream of the author is to link the structure and the physical property of polymers by a rainbow bridge. In order to make this bridge more sturdy, I have to continue to challenge the above-mentioned problem more aggressively.
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