Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles

Taiga Seki, Noriyoshi Arai, Taku Ozawa, Tomoko Shimada, Kenji Yasuoka, Atsushi Hotta

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A coarse-grained model of peptide amphiphiles (PA) dissolved in aqueous solution was presented, where the effects of PA concentration, temperature and shear stress upon the selfassembly of PA were numerically studied by dissipative particle dynamics (DPD) simulation. We technically investigate the repulsion parameter ahw which indicates the repulsion force between the hydrophilic head of PA and water molecules, hence, at the same time, indicating the change in temperature. It was found that ahw played an important role in the self-assembly dynamics and in the resulting micro-structures of PA. By imposing shear strain on the simulation system, the formation of wormlike PA micelles was accelerated. The simulation results were in good agreement with our previous experimental results and the mechanism of shear-induced transition was proposed.

Original languageEnglish
Title of host publicationDesign, Fabrication, and Self Assembly of "Patchy" and Anisometric Particles
PublisherMaterials Research Society
Pages143-149
Number of pages7
ISBN (Print)9781615677689
DOIs
Publication statusPublished - 2008
Event2008 MRS Fall Meeting - Boston, MA, United States
Duration: 2008 Dec 12008 Dec 5

Publication series

NameMaterials Research Society Symposium Proceedings
Volume1135
ISSN (Print)0272-9172

Other

Other2008 MRS Fall Meeting
CountryUnited States
CityBoston, MA
Period08/12/108/12/5

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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    Seki, T., Arai, N., Ozawa, T., Shimada, T., Yasuoka, K., & Hotta, A. (2008). Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles. In Design, Fabrication, and Self Assembly of "Patchy" and Anisometric Particles (pp. 143-149). (Materials Research Society Symposium Proceedings; Vol. 1135). Materials Research Society. https://doi.org/10.1557/proc-1135-cc06-02