Buckling and persistence length of an amphiphilic w orm from molecular dynamics simulations

被引:26
作者
den Otter, WK [1 ]
Shkulipa, SA [1 ]
Briels, WJ [1 ]
机构
[1] Univ Twente, Fac Sci & Technol, NL-7500 AE Enschede, Netherlands
关键词
D O I
10.1063/1.1585012
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A wormlike micelle of coarse-grained amphiphilic molecules is simulated with molecular dynamics. We demonstrate that our worm is inherently stable, i.e., it does not depend on periodic boundary conditions for its continued survival, which sets it apart from some, and perhaps even all, previously simulated worms. The worms are observed to buckle under sufficiently strong compression forces. The persistence length and bending rigidity follow from analyzing the thermal undulations of a tensionless worm. System size dependencies of the elastic modulus of the worm, as reported for amphiphilic bilayers, are eliminated by explicitly calculating the arc length of the worm. (C) 2003 American Institute of Physics.
引用
收藏
页码:2363 / 2368
页数:6
相关论文
共 24 条
[21]   Computer simulation of surfactant solutions [J].
Shelley, JC ;
Shelley, MY .
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE, 2000, 5 (1-2) :101-110
[22]   DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package [J].
Smith, W ;
Forester, TR .
JOURNAL OF MOLECULAR GRAPHICS, 1996, 14 (03) :136-141
[23]   A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems [J].
Tieleman, DP ;
Marrink, SJ ;
Berendsen, HJC .
BIOCHIMICA ET BIOPHYSICA ACTA-REVIEWS ON BIOMEMBRANES, 1997, 1331 (03) :235-270
[24]   Rheology and structure of worm-like micelles [J].
Walker, LM .
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE, 2001, 6 (5-6) :451-456