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- Hagita Katsumi
- Department of Physics, Faculty of Science and Technology, Keio University
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- Takano Hiroshi
- Department of Physics, Faculty of Science and Technology, Keio University
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Self-diffusion of a polymer chain in a melt is studied by Monte Carlo simulations using the bond fluctuation model, where only the excluded volume interaction is taken into account. Polymer chains, each of which consists of N segments, are located on an L×L×L simple cubic lattice under periodic boundary conditions, where each segment occupies 2×2×2 unit cells. The results for N=32, 48, 64, 96, 128, 192, 256, 384 and 512 at the volume fraction φ\\simeq0.5 are reported, where L=128 for N≤256 and L=192 for N≥384. The N-dependence of the self-diffusion constant D is examined. Here, D is estimated from the mean square displacements of the center of mass of a single polymer chain at times longer than the longest relaxation time. From the data for N=256, 384 and 512, the apparent exponent xd, which describes the apparent power law dependence of D on N as D∝N−xd, is estimated to be xd\\simeq2.4. The ratio Dτ⁄⟨Re2⟩ seems to be a constant for N=192,256,384 and 512, where τ and ⟨Re2⟩ denote the longest relaxation time and the mean square end-to-end distance, respectively.
収録刊行物
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 72 (8), 1824-1827, 2003
一般社団法人 日本物理学会
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詳細情報 詳細情報について
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- CRID
- 1390282679162793728
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- NII論文ID
- 210000104336
- 110001954624
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- NII書誌ID
- AA00704814
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- BIBCODE
- 2003JPSJ...72.1824H
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 6655962
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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- 使用不可