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Molecular Dynamics and Structure Organization inStrongly-Coupled Chain of Charged Particles
http://hdl.handle.net/10655/3014
http://hdl.handle.net/10655/3014fb7c06fe-9382-457b-aa57-e940dc886414
| Item type | 研究報告書 / Research Paper(1) | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2010-02-05 | |||||||||||||
| タイトル | ||||||||||||||
| タイトル | Molecular Dynamics and Structure Organization inStrongly-Coupled Chain of Charged Particles | |||||||||||||
| 言語 | en | |||||||||||||
| 言語 | ||||||||||||||
| 言語 | eng | |||||||||||||
| キーワード | ||||||||||||||
| 言語 | en | |||||||||||||
| 主題Scheme | Other | |||||||||||||
| 主題 | Coulomb System | |||||||||||||
| キーワード | ||||||||||||||
| 言語 | en | |||||||||||||
| 主題Scheme | Other | |||||||||||||
| 主題 | Structure Organization | |||||||||||||
| キーワード | ||||||||||||||
| 言語 | en | |||||||||||||
| 主題Scheme | Other | |||||||||||||
| 主題 | Phase Transition | |||||||||||||
| 資源タイプ | ||||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||||||||||
| 資源タイプ | research report | |||||||||||||
| アクセス権 | ||||||||||||||
| アクセス権 | metadata only access | |||||||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||||||||||
| 著者 |
"Tanaka, M.
× "Tanaka, M.
× Grosberg, A. Yu
× Pande, V. S.
× Tanaka, T."
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| 抄録 | ||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||
| 内容記述 | "The dynamical and equilibrium properties of a strongly-coupled chain of charged particles (polyampholyte) submerged in a viscous medium are studied using the molecular dynamics simulations. The polyampholyte relaxes to an equilibrium conformation typically in 300 omega_pe^-1 due to folding of the chain for low temperatures, and expands several times faster for high temperatures, where omega_pe is the plasma frequency. Three regimes with distinct conformations as stretched, oblate and spherical are observed under the Coulomb force at high, medium and low temperatures, respectively. The change in the conformations is considered to minimize the free energy through the electrostatic potential. The gyration radius in these regimes is scaled, respectively, as R_g ~ N^1/2, (NT)^1/3 and N^0.3 T^(0.8-1.0) where N is the number of monomers on the chain and T the temperature. The regime boundaries are characterized by the unique values of the monomer distance 2R_g/N^1/3, being insensitive to the length and stiffness of the chain. The present molecular dynamics agrees well with the Flory theory in the high and medium temperature regimes. The densely-packed frozen state at low temperatures is first obtained here without the use of the lattice model. The transition among the different regimes under the Coulomb force is exactly reversible. However, the transition under the cooperation of the Coulomb force and the attractive short-range force exhibits a hysteresis against successive changes in temperature." | |||||||||||||
| 書誌情報 |
en : Research Report NIFS-Series 発行日 1997-07-01 |
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| 報告書番号 | ||||||||||||||
| NIFS-498 | ||||||||||||||
| ISSN | ||||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||||
| 収録物識別子 | 0915-633X | |||||||||||||
