| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2014: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
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| Outline of Final Research Achievements |
In this work, the interaction parameters for the coarse-grained simulation which represent experimental results quantitatively were obtained. The molecular dynamics simulation, in which the all-atom model is employed, enable us that the coarse-grained simulation can provide the realistic representation of actual polymer structures. It is, however, found that the probability distribution of coarse-grained monomer distance in the coarse-grained simulation is the symmetrical Gaussian type and that in the molecular dynamics is asymmetric. This disagreement indicates that the potential function of the bond stretching interaction between monomers should be improved.
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