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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

The prevalence of heterogeneous nucleation in nature was explained qualitatively by the classical theory for heterogeneous nucleation established over more than 60 years ago, but the quantitative validity and the key conclusions of the…

Chemical Physics · Physics 2015-06-11 Raffaela Cabriolu , Tianshu Li

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…

Statistical Mechanics · Physics 2014-08-25 Aleks Reinhardt , Jonathan P. K. Doye

The microscopic mechanisms controlling heterogeneous ice nucleation are complex and remain poorly understood. Although good ice nucleators are generally believed to match ice lattice and to bind water, counter examples are often identified.…

Chemical Physics · Physics 2015-10-07 Yuanfei Bi , Raffaela Cabriolu , Tianshu Li

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

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

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

Ice nucleation is a process of great relevance in physics, chemistry, technology and environmental sciences, much theoretical and experimental efforts have been devoted to its understanding, but still it remains a topic of intense research.…

Soft Condensed Matter · Physics 2019-06-26 Haiyang Niu , Yi Isaac Yang , Michele Parrinello

Heterogeneous nucleation is the main path to ice formation on Earth. The ice nucleating ability of a certain substrate is mainly determined by both molecular interactions and the structural mismatch between the ice and the substrate…

Materials Science · Physics 2026-01-13 Miguel Camarillo , Javier Oller-Iscar , María M. Conde , Jorge Ramírez , Eduardo Sanz

Using all-atomic molecular dynamics(MD) simulations, we show that various substrates could induce interfacial water (IW) to form the same ice-like oxygen lattice but different hydrogen polarity order, and regulate the heterogeneous ice…

Computational Physics · Physics 2020-02-19 Mingzhe Shao , Chuanbiao Zhang , Conghai Qi , Chunlei Wang , Jianjun Wang , Fangfu Ye , Xin Zhou

Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice…

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

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

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

Contact freezing is a mode of atmospheric ice nucleation in which a collision between a dry ice nucleating particle (INP) and a water droplet results in considerably faster heterogeneous nucleation. The molecular mechanism of such…

Soft Condensed Matter · Physics 2021-01-29 Sarwar Hussain , Amir Haji-Akbari

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

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

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

Mineral dust aerosols strongly influence Earth's climate by acting as ice-nucleating particles (INPs). Feldspar minerals, particularly K-feldspar, are recognized as dominant INPs, and a previous study attributed this behavior to (100)…

Chemical Physics · Physics 2026-04-17 Wanqi Zhou , Pablo M. Piaggi

When an ice crystal is born from liquid water two key changes occur: (i) the molecules order; and (ii) the mobility of the molecules drops as they adopt their lattice positions. Most research on ice nucleation (and crystallization in…

Chemical Physics · Physics 2019-03-27 Martin Fitzner , Gabriele C. Sosso , Stephen J. Cox , Angelos Michaelides

Heterogeneous nucleation is a process wherein extrinsic impurities facilitate freezing by lowering nucleation barriers and constitutes the dominant mechanism for crystallization in most systems. Classical nucleation theory (\textsc{Cnt})…

Soft Condensed Matter · Physics 2026-05-12 Fernanda Sulantay Vargas , Sarwar Hussain , Amir Haji-Akbari
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