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Bulk water presents a large number of crystalline and amorphous ices. Hydrophobic nanoconfinement is known to affect the tendency of water to form ice and to reduce the melting temperature. However, a systematic study of the ice phases in…

Soft Condensed Matter · Physics 2011-02-15 Oriol Vilanova , Giancarlo Franzese

In sharp contrast to the prevailing view that electric fields promote water freezing, here we show by molecular dynamics simulations that monolayer ice confined between two parallel plates can melt into liquid water under perpendicularly…

Fluid Dynamics · Physics 2013-05-08 Hu Qiu , Wanlin Guo

Understanding the structural tendencies of nanoconfined water is of great interest for nanoscience and biology, where nano/micro-sized objects may be separated by very few layers of water. Here we investigate the properties of ice confined…

Chemical Physics · Physics 2016-01-14 Fabiano Corsetti , Paul Matthews , Emilio Artacho

Current major approaches to access surface hydrophobicity include directly introducing hydrophobic nonpolar groups/molecules into surface or elaborately fabricating surface roughness. Here, for the first time, molecular dynamics simulations…

Applied Physics · Physics 2021-02-08 Dangxin Mao , Xian Wang , Yuanyan Wu , Zonglin Gu , Chunlei Wang , Yusong Tu

The structure and nature of water confined between hydrophobic molybdenum disulfide (MoS2) and graphene (Gr) are investigated at room temperature by means of atomic force microscopy. We find the formation of two-dimensional (2D) crystalline…

Water confined between two layers with separation of a few Angstrom forms layered two- dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer…

Mesoscale and Nanoscale Physics · Physics 2015-09-29 S. Fernandez Mario , M. Neek-Amal , F. M. Peeters

Molecules at the air-water interface often form inhomogeneous layers in which domains of different densities are separated by sharp interfaces. Complex interfacial pattern formation may occur through the competition of short- and long-range…

patt-sol · Physics 2009-10-30 David K. Lubensky , Raymond E. Goldstein

The properties of water can have a strong dependence on the confinement. Here, we consider a water monolayer nanoconfined between hydrophobic parallel walls under conditions that prevent its crystallization. We investigate, by simulations…

Soft Condensed Matter · Physics 2014-03-24 Valentino Bianco , Giancarlo Franzese

X-ray measurements reveal a crystalline monolayer at the surface of the eutectic liquid Au_{82}Si_{18}, at temperatures above the alloy's melting point. Surface-induced atomic layering, the hallmark of liquid metals, is also found below the…

Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate…

Soft Condensed Matter · Physics 2015-06-17 Leandro B. Krott , Marcia C. Barbosa

Water is one of the most abundant substances on Earth, and ice, i.e., solid water, has more than 18 known phases. Normally ice in nature exists only as Ice Ih, Ice Ic, or a stacking disordered mixture of both. Although many theoretical…

Statistical Mechanics · Physics 2022-09-19 Maodong Li , Jun Zhang , Niu Haiyang , Yao Kun Lei , Xu Han , Lijiang Yang , Zhiqiang Ye , Yi Isaac Yang , Yi Qin Gao

Using molecular dynamics simulations we study the dynamics of a water-like TIP5P model of water in hydrophilic and hydrophobic confinement. We find that in case of extreme nanocofinement such that there is only one molecular layer of water…

Soft Condensed Matter · Physics 2010-05-14 Pradeep Kumar

Water exhibits rich polymorphism, where more than 20 crystalline phases have been experimentally reported. Five of them are metastable and form at low temperatures by either heating amorphous ice or degassing clathrate hydrates. However,…

Heterogeneous ice growth exhibits a maximum in freezing rate arising from the competition between kinetics and the thermodynamic driving force between the solid and liquid states. Here, we use molecular dynamics simulations to elucidate the…

Soft Condensed Matter · Physics 2013-12-31 Razvan A. Nistor , Thomas E. Markland , B. J. Berne

We present a study of the solvation properties of model aqueous electrode interfaces. The exposed electrodes we study strongly bind water and have closed packed crystalline surfaces, which template an ordered water adlayer adjacent to the…

Statistical Mechanics · Physics 2015-06-11 David T. Limmer , Adam P. Willard , Paul A. Madden , David Chandler

Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form…

Materials Science · Physics 2015-06-01 Stephen J. Cox , Shawn M. Kathmann , Ben Slater , Angelos Michaelides

Many nematic liquid crystals are not able to form stable monolayers at the air/water interface because of the lack of a polar headgroup. A possible way to obtain a monomolecular film with these compounds is to incorporate them into host…

Soft Condensed Matter · Physics 2007-05-23 Valentina S. U. Fazio , L. Komitov , S. T. Lagerwall , D. Möbius

We report a combined microscopy and spectroscopy study of Au deposited on the Bi2Se3(0001) single crystal surface. At room temperature Au forms islands, according to the Volmer-Weber growth mode. Upon annealing to 100{\deg} C the Au…

What makes a material a good ice nucleating agent? Despite the importance of heterogeneous ice nucleation to a variety of fields, from cloud science to microbiology, major gaps in our understanding of this ubiquitous process still prevent…

Chemical Physics · Physics 2016-11-29 Martin Fitzner , Gabriele C Sosso , Stephen J Cox , Angelos Michaelides

Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be remarkably different from bulk, as shown e.g., by the anomalously low…

Materials Science · Physics 2025-01-08 Venkat Kapil , Christoph Schran , Andrea Zen , Ji Chen , Chris J. Pickard , Angelos Michaelides
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