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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
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 | ||||||
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| 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: |
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| 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: |
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