2013
DOI: 10.1021/jp404403k
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Size Effect on Nucleation Rate for Homogeneous Crystallization of Nanoscale Water Film

Abstract: The nucleation rate from classical nucleation theory is independent of sample size. In the past decades, several experimental and theoretical studies argued that the homogeneous nucleation rate of ice in supercooled droplets increases when the drop size is decreased. In this paper, we investigate the nucleation of ice in nanoscale water films using molecular dynamics simulations. We found that the nucleation rate of ice actually decreases when the film thickness decreases in the nanoscale regime. A theoretical… Show more

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Cited by 23 publications
(10 citation statements)
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“…7b). A similar conclusion was reached in a work by Lü et al, who used a mean-first passage time (MFPT) method [136] to compute nucleation rates in films of different thicknesses [137]. Freestanding nanofilms have net zero curvature and are therefore not under Laplace pressure.…”
Section: Study Of Homogeneous Ice Nucleationsupporting
confidence: 71%
“…7b). A similar conclusion was reached in a work by Lü et al, who used a mean-first passage time (MFPT) method [136] to compute nucleation rates in films of different thicknesses [137]. Freestanding nanofilms have net zero curvature and are therefore not under Laplace pressure.…”
Section: Study Of Homogeneous Ice Nucleationsupporting
confidence: 71%
“…12. Computer simulations can provide a route to understanding the microscopic mechanisms that govern heterogeneous ice nucleation without the difficulties of surface characterisation that can plague systematic experimental investigations. Several computer simulations of heterogeneous ice nucleation have been performed so far, including studying nucleation near a vapour interface, 13,14 on Lennard-Jones and kaolinite surfaces, 15,16 on metal surfaces, [17][18][19] in strong electric fields near surfaces, 20 in nanoscale pores, 21 and on graphitic surfaces, [22][23][24] and a considerable degree of insight has already been gained from such work. For example, it has been shown that surface roughness both at the molecular and nano-scale levels 22,24,25 appears to decrease the nucleation rate relative to a smooth surface; curvature likewise seems to lead to a reduction in the nucleation rate.…”
Section: Introductionmentioning
confidence: 99%
“…On one hand, the size distribution of the nanofibrous ices may result in two glass transitions due to size effects [32,33]. On the other hand, if the size effect is sufficiently enough to hinder the viscous state of water immediately after T g1 from crystallization [34], then the T g2 is related to the liquid-liquid transition of water [14]. …”
Section: Resultsmentioning
confidence: 99%