Abstract.: The hard cylinder model decorated with attractive patches proved to be very useful recently in studying physical properties of several colloidal systems. Phase diagram, elastic constants and cholesteric properties obtained from computer simulations based on a simple hard cylinder model have been all successfully and quantitatively compared to experimental results. Key to these simulations is an efficient algorithm to check the overlap between hard cylinders. Here, we propose two algorithms to check the hard cylinder overlap and we assess their efficiency through a comparison with an existing method available in the literature and with the well-established algorithm for simulating hard spherocylinders. In addition, we discuss a couple of optimizations for performing computer simulations of patchy anisotropic particles and we estimate the speed-up which they can provide in the case of patchy hard cylinders.

Speeding up Monte Carlo simulation of patchy hard cylinders / Orellana, Alberto Giacomo; Romani, Emanuele; De Michele, Cristiano. - In: THE EUROPEAN PHYSICAL JOURNAL. E, SOFT MATTER. - ISSN 1292-8941. - ELETTRONICO. - 41:4(2018), p. 51. [10.1140/epje/i2018-11657-0]

Speeding up Monte Carlo simulation of patchy hard cylinders

Orellana, Alberto Giacomo
Primo
;
De Michele, Cristiano
Ultimo
2018

Abstract

Abstract.: The hard cylinder model decorated with attractive patches proved to be very useful recently in studying physical properties of several colloidal systems. Phase diagram, elastic constants and cholesteric properties obtained from computer simulations based on a simple hard cylinder model have been all successfully and quantitatively compared to experimental results. Key to these simulations is an efficient algorithm to check the overlap between hard cylinders. Here, we propose two algorithms to check the hard cylinder overlap and we assess their efficiency through a comparison with an existing method available in the literature and with the well-established algorithm for simulating hard spherocylinders. In addition, we discuss a couple of optimizations for performing computer simulations of patchy anisotropic particles and we estimate the speed-up which they can provide in the case of patchy hard cylinders.
2018
Topical issue: advances in computational methods for soft matter systems; biotechnology; biophysics; chemistry (all); materials science (all); surfaces and Interfaces
01 Pubblicazione su rivista::01a Articolo in rivista
Speeding up Monte Carlo simulation of patchy hard cylinders / Orellana, Alberto Giacomo; Romani, Emanuele; De Michele, Cristiano. - In: THE EUROPEAN PHYSICAL JOURNAL. E, SOFT MATTER. - ISSN 1292-8941. - ELETTRONICO. - 41:4(2018), p. 51. [10.1140/epje/i2018-11657-0]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1150931
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