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Nucleation rate in the two dimensional Ising model in the presence of random impurities

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Mandal, Dipanjan and Quigley, David (2021) Nucleation rate in the two dimensional Ising model in the presence of random impurities. Soft Matter, 17 (38). pp. 8642-8650. doi:10.1039/d1sm01172c ISSN 1744-6848.

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Official URL: https://doi.org/10.1039/d1sm01172c

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Abstract

Nucleation phenomena are ubiquitous in nature and the presence of impurities in every real and experimental system is unavoidable. Yet numerical studies of nucleation are nearly always conducted for entirely pure systems. We have studied the behaviour of the droplet free energy in two dimensional Ising model in the presence of randomly positioned static and dynamic impurities. We have shown that both the free energy barrier height and critical nucleus size monotonically decreases with increasing the impurity density for the static case. We have compared the nucleation rates obtained from the Classical Nucleation Theory and the Forward Flux Sampling method for different densities of the static impurities. The results show good agreement. In the case of dynamic impurities, we observe preferential occupancy of the impurities at the boundary positions of the nucleus when the temperature is low. This further boosts enhancement of the nucleation rate due to lowering of the effective interfacial free energy.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science, Engineering and Medicine > Science > Physics
SWORD Depositor: Library Publications Router
Library of Congress Subject Headings (LCSH): Nucleation, Chemistry, Physical and theoretical
Journal or Publication Title: Soft Matter
Publisher: Royal Society of Chemistry (RSC)
ISSN: 1744-6848
Official Date: 13 September 2021
Dates:
DateEvent
13 September 2021Published
10 September 2021Accepted
Volume: 17
Number: 38
Page Range: pp. 8642-8650
DOI: 10.1039/d1sm01172c
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Open Access (Creative Commons)
Date of first compliant deposit: 27 October 2021
Date of first compliant Open Access: 28 October 2021
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
EP/R018820/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
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