Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2010-11-14
Physics
Condensed Matter
Soft Condensed Matter
5 pages, 2 figures
Scientific paper
Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a newly devised method, molecular Monte-Carlo simulation of systems connected to 3 reservoirs: chemical potential $\mu$, pressure $P$, and temperature $T$. One of these reservoirs is adjusted for the thermodynamic equilibrium condition according to Gibbs-Duhem equation, so that this adjusted 3rd reservoir does not thermodynamically affect phases and states. Additional degrees of freedom, i.e. system volume $V$ and the number of particles $N$, reduce kinetic barriers of non-equilibrium states and facilitate quick equilibration. We show globally-anisotropic defect-free ordered structures, e.g. string-like colloidal assembly, are obtained via our method.
Kawakatsu Toshihiro
Norizoe Yuki
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