Recently, a simple scaling argument was introduced that allows us to map, with some precautions, Brownian and Monte Carlo dynamics for spherical particles. Here, we extend the scaling to study systems that have orientational degrees of freedom and carefully asses its validity over a wide region of temperature and density. Our work allows us to devise a Brownian Monte Carlo algorithm that produces, to a good approximation, physically meaningful trajectories with a minimum programming effort, although at the expense of some sampling efficiency. (C) 2011 American Institute of Physics. [doi:10.1063/1.3629452]
Monte Carlo and event-driven dynamics of Brownian particles with orientational degrees of freedom / Flavio, Romano; DE MICHELE, Cristiano; Davide, Marenduzzo; Eduardo, Sanz. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 135:12(2011), pp. 124106-124106-7. [10.1063/1.3629452]
Monte Carlo and event-driven dynamics of Brownian particles with orientational degrees of freedom
DE MICHELE, CRISTIANO;
2011
Abstract
Recently, a simple scaling argument was introduced that allows us to map, with some precautions, Brownian and Monte Carlo dynamics for spherical particles. Here, we extend the scaling to study systems that have orientational degrees of freedom and carefully asses its validity over a wide region of temperature and density. Our work allows us to devise a Brownian Monte Carlo algorithm that produces, to a good approximation, physically meaningful trajectories with a minimum programming effort, although at the expense of some sampling efficiency. (C) 2011 American Institute of Physics. [doi:10.1063/1.3629452]I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
