DMTCS

Discrete Models for Complex Systems, DMCS'03

Michel Morvan and Éric Rémila (eds.)

DMTCS Conference Volume AB (2003), pp. 31-42


author: Martin Nilsson and Steen Rasmussen
title: Cellular Automata for Simulating Molecular Self-Assembly
keywords: Cellular Automata, Lattice Gas, Molecular Self-Assembly, Statistical Mechanics, Thermodynamics
abstract: We present a lattice gas technique for simulating molecular self-assembly of amphiphilic polymers in aqueous environments. Water molecules, hydrocarbons tail-groups and amphiphilic head-groups are explicitly represented on a three dimensional discrete lattice. Molecules move on the lattice proportional to their continuous momentum. Collision rules preserve momentum and kinetic energy. Potential energy from molecular interactions are also included explicitly. Non-trivial thermodynamics of large scale and long time dynamics are studied. In this paper we specifically demonstrate how, from a random initial distribution, micelles are formed, and grow until they destabilize and divide. Eventually a steady state of growing and dividing micelles is formed.
  If your browser does not display the abstract correctly (because of the different mathematical symbols) you may look it up in the PostScript or PDF files.
reference: Martin Nilsson and Steen Rasmussen (2003), Cellular Automata for Simulating Molecular Self-Assembly, in Discrete Models for Complex Systems, DMCS'03, Michel Morvan and Éric Rémila (eds.), Discrete Mathematics and Theoretical Computer Science Proceedings AB, pp. 31-42
bibtex: For a corresponding BibTeX entry, please consider our BibTeX-file.
ps.gz-source: dmAB0103.ps.gz (276 K)
ps-source: dmAB0103.ps (1596 K)
pdf-source: dmAB0103.pdf (764 K)

The first source gives you the `gzipped' PostScript, the second the plain PostScript and the third the format for the Adobe accrobat reader. Depending on the installation of your web browser, at least one of these should (after some amount of time) pop up a window for you that shows the full article. If this is not the case, you should contact your system administrator to install your browser correctly.

Due to limitations of your local software, the two formats may show up differently on your screen. If eg you use xpdf to visualize pdf, some of the graphics in the file may not come across. On the other hand, pdf has a capacity of giving links to sections, bibliography and external references that will not appear with PostScript.


Automatically produced on Di Sep 27 10:09:08 CEST 2005 by gustedt