Colloidal cluster crystallization dynamics

Daniel J. Beltran-Villegas; Ray M. Sehgal; Dimitrios Maroudas; David M. Ford; Michael A. Bevan

doi:10.1063/1.4754870

Colloidal cluster crystallization dynamics

Daniel J. Beltran-Villegas, Ray M. Sehgal, Dimitrios Maroudas, David M. Ford, Michael A. Bevan

COLLEGE OF SCIENCE & ENGINEERING

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

The crystallization dynamics of a colloidal cluster is modeled using a low-dimensional Smoluchowski equation. Diffusion mapping shows that two order parameters are required to describe the dynamics. Using order parameters as metrics for condensation and crystallinity, free energy, and diffusivity landscapes are extracted from Brownian dynamics simulations using Bayesian inference. Free energy landscapes are validated against Monte Carlo simulations, and mean first-passage times are validated against dynamic simulations. The resulting model enables a low-dimensional description of colloidal crystallization dynamics.

Original language	English
Article number	134901
Journal	Journal of Chemical Physics
Volume	137
Issue number	13
DOIs	https://doi.org/10.1063/1.4754870
State	Published - Oct 7 2012

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abstract = "The crystallization dynamics of a colloidal cluster is modeled using a low-dimensional Smoluchowski equation. Diffusion mapping shows that two order parameters are required to describe the dynamics. Using order parameters as metrics for condensation and crystallinity, free energy, and diffusivity landscapes are extracted from Brownian dynamics simulations using Bayesian inference. Free energy landscapes are validated against Monte Carlo simulations, and mean first-passage times are validated against dynamic simulations. The resulting model enables a low-dimensional description of colloidal crystallization dynamics.",

author = "Beltran-Villegas, {Daniel J.} and Sehgal, {Ray M.} and Dimitrios Maroudas and Ford, {David M.} and Bevan, {Michael A.}",

note = "Funding Information: M.A.B. and D.M.F. acknowledge financial support by the National Science Foundation through a Cyber Enabled Discovery and Innovation Grant No. CMMI-0835549. D.M. acknowledges support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (DE-FG02-07ER46407). ",

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AU - Maroudas, Dimitrios

AU - Ford, David M.

AU - Bevan, Michael A.

N1 - Funding Information: M.A.B. and D.M.F. acknowledge financial support by the National Science Foundation through a Cyber Enabled Discovery and Innovation Grant No. CMMI-0835549. D.M. acknowledges support by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (DE-FG02-07ER46407).

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AB - The crystallization dynamics of a colloidal cluster is modeled using a low-dimensional Smoluchowski equation. Diffusion mapping shows that two order parameters are required to describe the dynamics. Using order parameters as metrics for condensation and crystallinity, free energy, and diffusivity landscapes are extracted from Brownian dynamics simulations using Bayesian inference. Free energy landscapes are validated against Monte Carlo simulations, and mean first-passage times are validated against dynamic simulations. The resulting model enables a low-dimensional description of colloidal crystallization dynamics.

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Colloidal cluster crystallization dynamics

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