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The formation of ice affects many aspects of our everyday life as well as technologies such as cryotherapy and cryopreservation. Foreign substances almost always aid water freezing through heterogeneous ice nucleation, but the molecular…

Estimating the homogeneous ice nucleation rate from undercooled liquid water is at the same time crucial for understanding many important physical phenomena and technological applications, and challenging for both experiments and theory.…

Statistical Mechanics · Physics 2025-10-06 Bingqing Cheng , Christoph Dellago , Michele Ceriotti

In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice with substrates of different hydrophilicity. Our study shows…

Soft Condensed Matter · Physics 2024-10-30 Łukasz Baran , Pablo Llombart , Luis G. MacDowell

It is proposed that the rapid observed homogeneous nucleation of ice dust in a cold, weakly-ionized plasma depends on the formation of hydroxide (OH$^-$) by fast electrons impacting water molecules. These OH$^{-}$ ions attract neutral water…

Plasma Physics · Physics 2022-08-31 Paul M. Bellan

Silver iodide is one of the most potent inorganic ice nucleating particles known, a feature generally attributed to the excellent lattice match between its basal Ag-(0001) and I-(000-1) surfaces, and ice. This crystal termination, however,…

Materials Science · Physics 2020-07-01 Thomas Sayer , Stephen J. Cox

It is surprisingly difficult to freeze water. Almost all ice that forms under "mild" conditions (temperatures > -40 degrees Celsius) requires the presence of a nucleating agent - a solid particle that facilitates the freezing process - such…

Statistical Mechanics · Physics 2014-04-25 Stephen J. Cox , Zamaan Raza , Shawn M. Kathmann , Ben Slater , Angelos Michaelides

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

Water is the main component of interstellar ice mantles, is abundant in the solar system and is a crucial ingredient for life. The formation of this molecule in the interstellar medium cannot be explained by gas-phase chemistry only and its…

Solar and Stellar Astrophysics · Physics 2017-08-23 S. Ioppolo , H. M. Cuppen , C. Romanzin , E. F. van Dishoeck , H. Linnartz

Ice nucleation is greatly important in areas as diverse as climate change, cryobiology, geology or food industry. Predicting the ability of a substrate to induce the nucleation of ice from supercooled water is a difficult problem. Here, we…

Materials Science · Physics 2026-01-12 Miguel Camarillo , Javier Oller-Iscar , María M. Conde , Jorge Ramírez , Eduardo Sanz

In principle, the answer to the posed titular question is undoubtedly 'yes.' But in practice, requisite reference data for homogeneous systems have been obtained with a treatment of intermolecular interactions that is different from that…

Statistical Mechanics · Physics 2022-05-02 Dominic Atherton , Angelos Michaelides , Stephen J. Cox

Based on neutron wide-angle diffraction and small-angle neutron scattering experiments, we show that there is a correlation between the preparational conditions of amorphous ice structures, their microscopic structural properties, the…

Disordered Systems and Neural Networks · Physics 2007-05-23 Michael Marek Koza , Thomas Hansen , Roland P. May , Helmut Schober

Ice nucleation is a phenomenon that, despite the relevant implications for life, atmospheric sciences, and technological applications, is far from being completely understood, especially under extreme thermodynamic conditions. In this work…

Chemical Physics · Physics 2024-01-24 Valentino Bianco , Pablo Montero de Hijes , Cintia P. Lamas , Eduardo Sanz , Carlos Vega

Interfacial polar molecules feature a strongly anisotropic response to applied electric field, favoring dipole orientations parallel to the interface. In water, in particular, this effect combines with generic orientational preferences…

Soft Condensed Matter · Physics 2017-02-08 Dusan Bratko , Christopher D. Daub , Alenka Luzar

Hydrogen hydrates (HH) are a unique class of materials composed of hydrogen molecules confined within crystalline water frameworks. Among their multiple phases, the filled ice structures, particularly the cubic C2 phase, exhibit…

The results of experiments on the formation of molecular hydrogen on low density and high density amorphous ice surfaces are analyzed using a rate equation model. The activation energy barriers for the relevant diffusion and desorption…

Hydrogen-bond networks govern molecular structure and function across chemistry, biology and materials science, yet their deterministic control at the atomic scale remains a central challenge (1-9).Here, we directly visualize how an…

Materials Science · Physics 2026-04-29 Nassar Doudin , Jian Jiang , Chun Tang , Xiao Cheng Zeng , Mohammed Th. Hassan

Small molecules that interact strongly with water were the subject of this molecular dynamics (MD) study. These solutes include a cryoprotectant (DMSO), a polyalcohol [CH$_2$(OH)$_2$], carboxylic acid conjugates (HCOOH and HCOONa), an…

Chemical Physics · Physics 2025-08-06 Benjamin M. Harless , Jasmine K. Sindelar , J. Daniel Gezelter

Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure and atmospheric clouds. However, its intrinsic kinetics and…

Chemical Physics · Physics 2015-08-05 Amir Haji-Akbari , Pablo G. Debenedetti

Among all the freezing transitions, that of water into ice is probably the most relevant to biology, physics, geology or atmospheric science. In this work we investigate homogeneous ice nucleation by means of computer simulations. We…

Soft Condensed Matter · Physics 2013-12-04 E. Sanz , C. Vega , J. R. Espinosa , R. Caballero-Bernal , J. L. F. Abascal , C. Valeriani

In this study, using direct digital and infrared imaging techniques, the freezing of up to three simultaneous THF hydrate droplets was investigated for the first time. Nucleation was initiated at the aqueous solution-air interface. Two…

Applied Physics · Physics 2023-02-24 Adam McElligott , André Guerra , Alexia Denoncourt , Alejandro D. Rey , Phillip Servio