First principles simulations of water-solid interfaces and the initial stages of ice nucleation

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• Angelos Michaelides, London Centre for Nanotechnology
• Thursday 15 October 2009, 16:00-17:00
• Mott Seminar Room, Cavendish Laboratory, Department of Physics.

If you have a question about this talk, please contact Stephen Walley.

Water is not easy to freeze! The homogeneous freezing point of pure water is some 30-40 degrees below zero. Invariably then when water freezes it does so heterogeneously on the surface of some foreign particle. In this talk I will discuss our recent first principles simulations of such heterogeneous ice nucleation events on a variety of solid surfaces. I will show how the subtle interplay of bonding within the overlayers and to the substrate conspires to yield a rich variety of structures, including even ice structures built from pentagons. I will also show how surprisingly strong quantum nuclear effects can lead to hydrogen bond symmetrisation in certain ice overlayers on metal surfaces

This talk is part of the Physics and Chemistry of Solids Group series.

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