2014
DOI: 10.1063/1.4892804
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Effects of surface interactions on heterogeneous ice nucleation for a monatomic water model

Abstract: Despite its importance in atmospheric science, much remains unknown about the microscopic mechanism of heterogeneous ice nucleation. In this work, we perform hybrid Monte Carlo simulations of the heterogeneous nucleation of ice on a range of generic surfaces, both flat and structured, in order to probe the underlying factors affecting the nucleation process. The structured surfaces we study comprise one basal plane bilayer of ice with varying lattice parameters and interaction strengths. We show that what dete… Show more

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Cited by 57 publications
(63 citation statements)
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“…For this interaction strength the molecules essentially face a hard wall which in turn could even hinder nucleation compared to the homogeneous case 33,[76][77][78] . To understand this we must first mention, what happens for the homogeneous bulk case (which we term Homo) and the case of a free standing water slab (called Homo VAC ) with two water-vacuum interfaces.…”
Section: Critical Nucleus Size On the (111) Surfacementioning
confidence: 99%
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“…For this interaction strength the molecules essentially face a hard wall which in turn could even hinder nucleation compared to the homogeneous case 33,[76][77][78] . To understand this we must first mention, what happens for the homogeneous bulk case (which we term Homo) and the case of a free standing water slab (called Homo VAC ) with two water-vacuum interfaces.…”
Section: Critical Nucleus Size On the (111) Surfacementioning
confidence: 99%
“…The idea of a small lattice mismatch δ being at the heart of the INA efficacy dates back to the forties, when the ice nucleating capabilities of AgI, featuring only δ ≈ 2 % for the basal face, came to light 19,48 . Even though both experiments 7,49 and recent simulations 33,34 have seriously challenged the validity of this concept and most importantly its generality with respect to other materials 39,41 , a small lattice mismatch is still considered as the primary attribute of an efficient INA. In the case of bacterial ice nucleating proteins ice-matching patterns have even been used as an a priori assumption to infer the three dimensional structure of the residues from the DNA sequence describing the protein 50,51 .…”
Section: Introductionmentioning
confidence: 99%
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“…Hu and Michaelides, 2007;Cox et al, 2012;Reinhardt and Doye, 2014;Zielke et al, 2015;Cox et al, 2015a, b;Fitzner et al, 2015;Pedevilla et al, 2016). To date there has been little overlap between work of this nature and laboratory experiments.…”
Section: Introductionmentioning
confidence: 99%