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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

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

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

Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous precursor forms, and the…

Materials Science · Physics 2014-07-15 László Gránásy , Frigyes Podmaniczky , Gyula I. Tóth , György Tegze , Tamás Pusztai

Despite the simplicity of the water molecule, the kinetics of ice nucleation under natural conditions can be complex. We investigated spontaneously grown ice nuclei using all-atom molecular dynamics simulations and found significant…

Soft Condensed Matter · Physics 2025-04-28 Maodong Li , Yupeng Huang , Yijie Xia , Dechin Chen , Cheng Fan , Lijiang Yang , Yi Qin Gao , Yi Isaac Yang

Heterogeneous ice nucleation is one of the most common and important process in the physical environment. AgI has been proved to be an effective ice nucleating agent in the process of ice nucleation. However, the microscopic mechanism of…

Materials Science · Physics 2020-08-25 Hao Lu , Quanming Xu , Chaohong Wang , Jianyang Wu , Rongdun Hong , Xiang-Yang Liu , Zhisen Zhang

Organic molecules such as steroids or amino acids form crystals that can facilitate the formation of ice -- arguably the most important phase transition on earth. However, the origin of the ice nucleating ability of organic crystals is…

In this letter, we performed molecular dynamics simulations of ice nucleation on a rigid surface model of cubic zinc blende structure with different surface dipole strength and orientation. It follows that, despite the excellent lattice…

Materials Science · Physics 2021-08-11 Hao Lu , Quanming Xu , Jianyang Wu , Rongdun Hong , Zhisen Zhang

Ice nucleation plays a significant role in a large number of natural and technological processes, but it is challenging to investigate experimentally because of the small time (ns) and short length scales (nm) involved. On the other hand,…

Materials Science · Physics 2018-08-01 Philipp Pedevilla , Martin Fitzner , Gabriele C. Sosso , Angelos Michaelides

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

Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using…

Soft Condensed Matter · Physics 2018-04-27 Santi Prestipino

Hard-sphere model systems are well-suited in both experiment and simulations to investigate fundamental aspects of the crystallization of fluids. In experiments on colloidal models of hard-sphere fluids, the uid is unavoidably at contact…

Soft Condensed Matter · Physics 2021-04-28 Jorge R. Espinosa , Carlos Vega , Chantal Valeriani , Daan Frenkel , Eduardo Sanz

Deposition of water on aerosol particles contributes to ice cloud formation in the atmosphere with implications for the water cycle and climate on Earth. The heterogeneous ice nucleation process is influenced by physico-chemical properties…

Chemical Physics · Physics 2013-09-13 Xiangrui Kong , Patrik U. Andersson , Erik S. Thomson , Jan B. C. Pettersson

The premelting of ice is well known, but little is known about how the premelted and solid surfaces convert to each other. In this work, the transition dynamics between two phases are revealed with large-scale molecular dynamics…

Chemical Physics · Physics 2023-07-27 Shifan Cui , Haoxiang Chen

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

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

The avoidance of water freezing is the holy grail in the cryopreservation of biological samples, food, and organs. Fast cooling rates are used to beat ice nucleation and avoid cell damage. This strategy can be enhanced by applying high…

It has been conjectured that roughness plays a role in surface nucleation, the tendency for freezing to begin preferentially at the liquid-gas interface. Using high speed imaging, we sought evidence for freezing at the contact line on…

Soft Condensed Matter · Physics 2015-06-23 C. W. Gurganus , J. C. Charnawskas , A. B. Kostinski , R. A. Shaw

Water freezing is ubiquitous on Earth, affecting many areas from biology to climate science and aviation technology. Probing the atomic structure in the homogeneous ice nucleation process from scratch is of great value but still…

Materials Science · Physics 2023-04-27 Mingyi Chen , Lin Tan , Han Wang , Linfeng Zhang , Haiyang Niu

Over recent years, molecular simulations have provided invaluable insights into the microscopic processes governing the initial stages of crystal nucleation and growth. A key aspect that has been observed in many different systems is the…

Soft Condensed Matter · Physics 2023-05-31 Jutta Rogal , Grisell Díaz Leines