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Title: A two-level, discrete-particle approach for simulating ordered colloidal structures

Abstract

The authors devise a new, two-level discrete-particle model to simulate ordered colloidal structures with vastly different scales. The authors use the molecular dynamics paradigm with a Lennard-Jones-type potential to define colloidal particle system and dissipative particle dynamics (DPD) to model the solvent. The initially mixed, disordered particle ensemble undergoes a phase transition. The authors observe the spontaneous creation of spherical or rod-like micelles and their crystallization in stable hexagonal or worm-like structures, respectively. The ordered arrays obtained by using the particle model are similar to the two-dimensional colloidal crystals observed in laboratory experiments. The micelle shape depends on the ratio between the scaling factors of the colloid-colloid to colloid-solvent particle interactions. The properties of the DPD solvent, such as the strongly variable viscosity and partial pressure, determine the speed of crystallization. The intriguing features of colloidal arrays and their exotic symmetries, which persist also over two-dimensional domains, can be simulated numerically by using the two-level discrete-particle approach and are illustrated here.

Authors:
;
Publication Date:
Research Org.:
AGH Inst. of Computer Science, Krakow (PL)
OSTI Identifier:
20075585
Resource Type:
Journal Article
Journal Name:
Journal of Colloid and Interface Science
Additional Journal Information:
Journal Volume: 225; Journal Issue: 1; Other Information: PBD: 1 May 2000; Journal ID: ISSN 0021-9797
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; COLLOIDS; MOLECULAR DYNAMICS METHOD; MICELLAR SYSTEMS; CRYSTALLIZATION

Citation Formats

Dzwinel, W., and Yuen, D.A. A two-level, discrete-particle approach for simulating ordered colloidal structures. United States: N. p., 2000. Web. doi:10.1006/jcis.2000.6751.
Dzwinel, W., & Yuen, D.A. A two-level, discrete-particle approach for simulating ordered colloidal structures. United States. doi:10.1006/jcis.2000.6751.
Dzwinel, W., and Yuen, D.A. Mon . "A two-level, discrete-particle approach for simulating ordered colloidal structures". United States. doi:10.1006/jcis.2000.6751.
@article{osti_20075585,
title = {A two-level, discrete-particle approach for simulating ordered colloidal structures},
author = {Dzwinel, W. and Yuen, D.A.},
abstractNote = {The authors devise a new, two-level discrete-particle model to simulate ordered colloidal structures with vastly different scales. The authors use the molecular dynamics paradigm with a Lennard-Jones-type potential to define colloidal particle system and dissipative particle dynamics (DPD) to model the solvent. The initially mixed, disordered particle ensemble undergoes a phase transition. The authors observe the spontaneous creation of spherical or rod-like micelles and their crystallization in stable hexagonal or worm-like structures, respectively. The ordered arrays obtained by using the particle model are similar to the two-dimensional colloidal crystals observed in laboratory experiments. The micelle shape depends on the ratio between the scaling factors of the colloid-colloid to colloid-solvent particle interactions. The properties of the DPD solvent, such as the strongly variable viscosity and partial pressure, determine the speed of crystallization. The intriguing features of colloidal arrays and their exotic symmetries, which persist also over two-dimensional domains, can be simulated numerically by using the two-level discrete-particle approach and are illustrated here.},
doi = {10.1006/jcis.2000.6751},
journal = {Journal of Colloid and Interface Science},
issn = {0021-9797},
number = 1,
volume = 225,
place = {United States},
year = {2000},
month = {5}
}