Crystal imperfections in ice I<i>h</i>

Koning, Maurice de

doi:10.1063/5.0019067

Cited by 16 publications

(9 citation statements)

References 102 publications

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“…For ice adhesion on a rough surface, , there are four types of interfacial forces (as shown in Figure ) on the ice-solid interface: van der Waals force, chemical bonding, electrostatic force, and mechanical locking . van der Waals force and chemical bonding are generally not considered the major forces in the case of ice adhesion mechanism. ,− Taking into account the charged carriers generated by the crystal defects , in the freezing process of the droplet and the Cassie–Wenzel state − (see the Supporting Information (SI) Section 1) of the droplet before ice formation on the surface, electrostatic force and mechanical locking force are considered the two major forces in the case of ice adhesion mechanisms.…”

Section: Theoretical Analysismentioning

confidence: 99%

Reduction of Ice Adhesion Using Surface Acoustic Waves: Nanoscale Vibration and Interface Heating Effects

Zeng

Yan

et al. 2021

Langmuir

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Ice accumulation causes great risks to aircraft, electric power lines, and wind-turbine blades. For the ice accumulation on structural surfaces, ice adhesion force is a crucial factor, which generally has two main sources, for exampple, electrostatic force and mechanical interlocking. Herein, we present that surface acoustic waves (SAWs) can be applied to minimize ice adhesion by simultaneously reducing electrostatic force and mechanical interlocking, and generating interface heating effect. A theoretical model of ice adhesion considering the effect of SAWs is first established. Experimental studies proved that the combination of nanoscale vibration and interface heating effects lead to the reduction of ice adhesion on the substrate. With the increase of SAW power, the electrostatic force decreases due to the increase of dipole spacings, which is mainly attributed to the SAW induced nanoscale surface vibration. The interface heating effect leads to the transition of the locally interfacial contact phase from solid–solid to solid–liquid, hence reducing the mechanical interlocking of ice. This study presents a strategy of using SAWs device for ice adhesion reduction, and results show a considerable potential for application in deicing.

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Section: Theoretical Analysismentioning

confidence: 99%

Reduction of Ice Adhesion Using Surface Acoustic Waves: Nanoscale Vibration and Interface Heating Effects

Zeng

Yan

et al. 2021

Langmuir

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“…Both prismatic faces are perpendicular to the basal face, which is the one that develops stacking faults. Hexagonal ice has also been found to nucleate on the (001) face of kaolinite and some simple non-hydrogen-bonding model surfaces. , The commonality between these ice nucleating surfaces and the (001) and (010) faces of PD is that they all bind ice through one of its prismatic planes, which are perpendicular to those of the stacking faults and, therefore, would have to pay a free energy penalty , for their formation. We conclude that the cost of these defects is higher than the gain from stacking disorder, which is 7.5 RT for an ice nucleus with ∼500 water molecules .…”

Section: Resultsmentioning

confidence: 99%

Is Ice Nucleation by Organic Crystals Nonclassical? An Assessment of the Monolayer Hypothesis of Ice Nucleation

Metya

Molinero

2021

J. Am. Chem. Soc.

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Potent ice nucleating organic crystals display an increase in nucleation efficiency with pressure and memory effect after pressurization that set them apart from inorganic nucleants. These characteristics were proposed to arise from an ordered water monolayer at the organic−water interface. It was interpreted that ordering of the monolayer is the limiting step for ice nucleation on organic crystals, rendering their mechanism of nucleation nonclassical. Despite the importance of organics in atmospheric ice nucleation, that explanation has never been investigated. Here we elucidate the structure of interfacial water and its role in ice nucleation at ambient pressure on phloroglucinol dihydrate, the paradigmatic example of outstanding ice nucleating organic crystal, using molecular simulations. The simulations confirm the existence of an interfacial monolayer that orders on cooling and becomes fully ordered upon ice formation. The monolayer does not resemble any ice face but seamlessly connects the distinct hydrogen-bonding orders of ice and the organic surface. Although large ordered patches develop in the monolayer before ice nucleates, we find that the critical step is the formation of the ice crystallite, indicating that the mechanism is classical. We predict that the fully ordered, crystalline monolayer nucleates ice above −2 °C and could be responsible for the exceptional ice nucleation by the organic crystal at high pressures. The lifetime of the fully ordered monolayer around 0 °C, however, is too short to account for the memory effect reported in the experiments. The latter could arise from an increase in the melting temperature of ice confined by strongly icebinding surfaces.

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“…The analysis of microscopic structures is impervious to CNT-based approaches which, in fact, usually neglect structural effects completely in rate calculations. However, stacking faults and fivefold defect structures [148], detected during the quiescent nucleation of supercooled water [149][150][151], have been found to emerge as precursors to nucleation, even before critical nuclei appear [87]. Furthermore, there is long-standing evidence that morphological and structural characteristics of emergent crystalline structures have a non-trivial impact on the sheared nucleation process [152].…”

Section: Shear-induced Changes In Microscopic Structurementioning

confidence: 99%

Homogeneous Nucleation of Sheared Liquids: Advances and Insights from Simulations and Theory

Goswami,

Singh

2021

Preprint

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One of the most ubiquitous and technologically important phenomena in nature is the nucleation of homogeneous flowing systems. The microscopic effects of shear on a nucleating system are still imperfectly understood, although in recent years a consistent picture has emerged. The opposing effects of shear can be split into two major contributions for simple liquids: increase of the energetic cost of nucleation, and enhancement of the kinetics. In this review, we describe the latest computational and theoretical techniques which have been developed over the past two decades. We collate and unify the overarching influences of shear, temperature, and supersaturation on the process of homogeneous nucleation. Experimental techniques and capabilities are discussed, against the backdrop of results from simulations and theory. Although we primarily focus on simple liquids, we also touch upon the sheared nucleation of more complex systems, including glasses and polymer melts. We speculate on the promising directions and possible advances that could come to fruition in the future.

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Crystal imperfections in ice Ih

Cited by 16 publications

References 102 publications

Reduction of Ice Adhesion Using Surface Acoustic Waves: Nanoscale Vibration and Interface Heating Effects

Reduction of Ice Adhesion Using Surface Acoustic Waves: Nanoscale Vibration and Interface Heating Effects

Is Ice Nucleation by Organic Crystals Nonclassical? An Assessment of the Monolayer Hypothesis of Ice Nucleation

Homogeneous Nucleation of Sheared Liquids: Advances and Insights from Simulations and Theory

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