Special Issue "Ice Crystals"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystalline Materials".

Deadline for manuscript submissions: closed (31 March 2019)

Special Issue Editor

Guest Editor
Prof. Dr. Yoshinori Furukawa

Hokkaido University, Institute of Low Temperature Science, Sapporo, Japan
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Special Issue Information

Dear Colleagues,

Ice crystals are the most ubiquitous material in the cryosphere environment of the Earth, in the planetary system, and also in our daily lives. In recent years, ice crystals have increased in importance as one of the key materials for finding solutions to settle various environmental concerns at a global scale. Furthermore, ice crystals are also expected as one of the unique materials which are extremely useful to various applications, for example, the food sciences, medical sciences, and other various fields.   Dealing with these interesting subjects, research on ice crystals has been more actively pursued in recent years.  

The current Special issue of Crystals provides a unique forum for the discussion and presentation of recent advances in study of ice crystals. Since research on ice crystals is included in many different fields, communications and discussions among researchers are not sufficient, nor are they smooth. Publications related to ice crystals are also distributed in various journals, such as those dealing with physics, chemistry, biology, geoscience, planetary science, crystal growth, and others. Consequently, this Special issue will provide a platform for discussions among the researchers working in different fields.

The topics summarized under the keywords should be considered only as examples. The volume is open for any advanced topics related to ice crystals. We expect to be combined many papers which discuss the ice crystals in the various research fields.

Prof. Dr. Yoshinori Furukawa
Guest Editor

Manuscript Submission Information

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Keywords

  • Crystal structures
  • Phase transitions
  • Surfaces and interfaces
  • Defects
  • Crystal growth
  • Clathrate hydrates
  • Chemical aspects
  • Biological aspects
  • Glaciological aspects
  • Planetary aspects
  • Others

Published Papers (6 papers)

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Research

Open AccessArticle
Ice Crystal Coarsening in Ice Cream during Cooling: A Comparison of Theory and Experiment
Crystals 2019, 9(6), 321; https://doi.org/10.3390/cryst9060321
Received: 19 April 2019 / Revised: 20 June 2019 / Accepted: 21 June 2019 / Published: 25 June 2019
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Abstract
Ice cream is a complex multi-phase structure and its perceived quality is closely related to the small size of ice crystals in the product. Understanding the quantitative coarsening behaviour of ice crystals will help manufacturers optimise ice cream formulations and processing. Using synchrotron [...] Read more.
Ice cream is a complex multi-phase structure and its perceived quality is closely related to the small size of ice crystals in the product. Understanding the quantitative coarsening behaviour of ice crystals will help manufacturers optimise ice cream formulations and processing. Using synchrotron X-ray tomography, we measured the time-dependent coarsening (Ostwald ripening) of ice crystals in ice cream during cooling at 0.05 °C/min. The results show ice crystal coarsening is highly temperature dependent, being rapid from ca. −6 to −12 °C but significantly slower at lower temperatures. We developed a numerical model, based on established coarsening theory, to calculate the relationship between crystal diameter, cooling rate and the weight fraction of sucrose in solution. The ice crystal diameters predicted by the model are found to agree well with the measured values if matrix diffusion is assumed to be slowed by a factor of 1.2 due to the presence of stabilizers or high molecular weight sugars in the ice cream formulation. Full article
(This article belongs to the Special Issue Ice Crystals)
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Open AccessArticle
Quasi-Liquid Layer on Ice and Its Effect on the Confined Freezing of Porous Materials
Crystals 2019, 9(5), 250; https://doi.org/10.3390/cryst9050250 (registering DOI)
Received: 31 March 2019 / Revised: 2 May 2019 / Accepted: 6 May 2019 / Published: 14 May 2019
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Abstract
Freezing of the water confined in thin pores can be destructive to the porous frame, but the effect of the quasi-liquid layer (QLL) between the confined ice and the pore walls remains still far from being fully understood. In the present study, the [...] Read more.
Freezing of the water confined in thin pores can be destructive to the porous frame, but the effect of the quasi-liquid layer (QLL) between the confined ice and the pore walls remains still far from being fully understood. In the present study, the physical origins of the intermediate phase of QLL were discussed by thermodynamic analyses. Different interactions on QLL bring different models to estimate its thickness, which generally decays with temperature decreasing. Four representative models of QLL thickness were selected to unveil its effect on the growing rates and extents of ice in a concrete. The engineering consequences of the confined freezing were then discussed in the aspects of effective pore pressures built from the confined ice growth and deformations framed by a poro-elastic model. Overall, thickening QLL depresses ice growing rates and contents and, consequentially, decreases pore pressures and material deformations during freezing. The QLL corrections also narrow the gaps between the predicted and measured freezing deformations. The findings of this study contribute to profound understandings of confined freezing that may bridge over physical principles and engineering observations. Full article
(This article belongs to the Special Issue Ice Crystals)
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Open AccessArticle
Negative Thermal Expansivity of Ice: Comparison of the Monatomic mW Model with the All-Atom TIP4P/2005 Water Model
Crystals 2019, 9(5), 248; https://doi.org/10.3390/cryst9050248 (registering DOI)
Received: 28 March 2019 / Revised: 10 May 2019 / Accepted: 12 May 2019 / Published: 14 May 2019
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Abstract
We calculate the thermal expansivity of ice I for the monatomic mW model using the quasi-harmonic approximation. It is found that the original mW model is unable to reproduce the negative thermal expansivity experimentally observed at low temperatures. A simple prescription is proposed [...] Read more.
We calculate the thermal expansivity of ice I for the monatomic mW model using the quasi-harmonic approximation. It is found that the original mW model is unable to reproduce the negative thermal expansivity experimentally observed at low temperatures. A simple prescription is proposed to recover the negative thermal expansion by re-adjusting the so-called tetrahedrality parameter, λ. We investigate the relation between the λ value and the Grüneisen parameter to explain the origin of negative thermal expansion in the mW model and compare it with an all-atom water model that allows the examination of the effect of the rotational motions on the volume of ice. Full article
(This article belongs to the Special Issue Ice Crystals)
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Open AccessArticle
Decomposition Characterizations of Methane Hydrate Confined inside Nanoscale Pores of Silica Gel below 273.15 K
Crystals 2019, 9(4), 200; https://doi.org/10.3390/cryst9040200
Received: 7 March 2019 / Revised: 1 April 2019 / Accepted: 8 April 2019 / Published: 10 April 2019
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Abstract
The formation and decomposition of gas hydrates in nanoscale sediments can simulate the accumulation and mining process of hydrates. This paper investigates the Raman spectra of water confined inside the nanoscale pores of silica gel, the decomposition characterizations of methane hydrate that formed [...] Read more.
The formation and decomposition of gas hydrates in nanoscale sediments can simulate the accumulation and mining process of hydrates. This paper investigates the Raman spectra of water confined inside the nanoscale pores of silica gel, the decomposition characterizations of methane hydrate that formed from the pore water, and the intrinsic relationship between them. The results show that pore water has stronger hydrogen bonds between the pore water molecules at both 293 K and 223 K. The structure of pore water is conducive to the nucleation of gas hydrate. Below 273.15 K, the decomposition of methane hydrate formed from pore water was investigated at atmospheric pressure and at a constant volume vessel. We show that the decomposition of methane hydrate is accompanied by a reformation of the hydrate phase: The lower the decomposition temperature, the more times the reformation behavior occurs. The higher pre-decomposition pressure that the silica gel is under before decomposition is more favorable to reformation. Thus, reformation is the main factor in methane hydrate decomposition in nanoscale pores below 273.15 K and is attributed to the structure of pore water. Our results provide experimental data for exploring the control mechanism of hydrate accumulation and mining. Full article
(This article belongs to the Special Issue Ice Crystals)
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Open AccessArticle
Collective Transformation of Water between Hyperactive Antifreeze Proteins: RiAFPs
Crystals 2019, 9(4), 188; https://doi.org/10.3390/cryst9040188
Received: 7 March 2019 / Revised: 27 March 2019 / Accepted: 27 March 2019 / Published: 1 April 2019
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Abstract
We demonstrate, by molecular dynamics simulations, that water confined between a pair of insect hyperactive antifreeze proteins from the longhorn beetle Rhagium inquisitor is discontinuously expelled as the two proteins approach each other at a certain distance. The extensive striped hydrophobic–hydrophilic pattern on [...] Read more.
We demonstrate, by molecular dynamics simulations, that water confined between a pair of insect hyperactive antifreeze proteins from the longhorn beetle Rhagium inquisitor is discontinuously expelled as the two proteins approach each other at a certain distance. The extensive striped hydrophobic–hydrophilic pattern on the surface, comprising arrays of threonine residues, enables water to form three independent ice channels through the assistance of hydroxyl groups, even at 300 K. The transformation is reminiscent of a freezing–melting transition rather than a drying transition and governs the stable protein–protein separation in the evaluation of the potential of mean force. The collectivity of water penetration or expulsion and the hysteresis in the time scale of ten nanoseconds predict a potential first-order phase transition at the limit of infinite size and provide a new framework for the water-mediated interaction between solutes. Full article
(This article belongs to the Special Issue Ice Crystals)
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Open AccessArticle
Tetrahydrofuran (THF)-Mediated Structure of THF·(H2O)n=1–10: A Computational Study on the Formation of the THF Hydrate
Crystals 2019, 9(2), 73; https://doi.org/10.3390/cryst9020073
Received: 28 December 2018 / Revised: 21 January 2019 / Accepted: 29 January 2019 / Published: 31 January 2019
PDF Full-text (1509 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Tetrahydrofuran (THF) is well known as a former and a promoter of clathrate hydrates, but the molecular mechanism for the formation of these compounds is not yet well understood. We performed ab initio calculations and ab initio molecular dynamics simulations to investigate the [...] Read more.
Tetrahydrofuran (THF) is well known as a former and a promoter of clathrate hydrates, but the molecular mechanism for the formation of these compounds is not yet well understood. We performed ab initio calculations and ab initio molecular dynamics simulations to investigate the formation, structure, and stability of THF·(H2O)n=1–10 and its significance to the formation of the THF hydrate. Weak hydrogen bonds were found between THF and water molecules, and THF could promote water molecules from the planar pentagonal or hexagonal ring. As a promoter, THF could increase the binding ability of the CH4, CO2, or H2 molecule onto a water face, but could also enhance the adsorption of other THF molecules, causing an enrichment effect. Full article
(This article belongs to the Special Issue Ice Crystals)
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Graphical abstract

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