Posts by jkshenton

Prof Angelos Michaelides

Dr. J. Gerit Brandenburg

Dr. Jan Gerit Brandenburg

Structures of two dimensional ice predicted by computer simulations

Image of 2D Ice

The structure of two-dimensional ice built purely from water pentagons. This space filling structure is made possible by arranging water molecules in a so-called Cairo tiling pattern.

Scientists at UCL and Cambridge predict new two-dimensional ice structures on the basis of state-of-the-art computer simulations.

A systematic computer simulation study has led to predictions about how water molecules freeze into a single layer of ice. These simulations, published in Physical Review Letters, reveal several models for 2D ice, including a hexagonal, a Cairo tiling pentagonal, a square and a rhombic structure. The new 2D ice structures, obtained on the basis of first principles simulations and unbiased structure search methods, extend the knowledge of ice in nature and are potentially important in understanding phenomena such as cloud microphysics and tribology.

The authors also predict a sequence of phase transitions that happens as a function of pressure and confinement, leading to the determination of a phase diagram of 2D ice. Overall this work provides a fresh perspective on 2D confined ice, highlighting the sensitivity of the structures formed to the confining pressure and confinement width. The observation of the flat square structure supports recent experimental observations of square ice confined within graphene sheets. The authors also discuss how other structures such as the Cairo tiling pentagonal structure may be observed by slightly altering the conditions used so far in experiments.

This study has been published in Physical Review Letters
Journal link: Phys. Rev. Lett. 116, 025501 (2016)

Dr. Andrea Zen

Dr. Ji Chen

Wei Fang

Contact details:

Office: 301, KLB, University College London
Tel: +44 (0) 20 7679 7909 (Ext 379 09)
Mobile: +44 7463 209982
Email: wei.fang.13@ucl.ac.uk; weifang2321@gmail.com

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Dr. Gabriele Cesare Sosso

Philipp Pedevilla

Philipp Profile Image 

Contact details

Office: Room 348, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 379 09
Email: p.pedevilla.12@ucl.ac.uk

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Martin Fitzner

 

Photo of Martin

 Contact details:

Office: Room 348, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 379 09
Fax:  +44 (0) 20 7679 3356
Email: martin.fitzner.14@ucl.ac.uk
Web: Researchgate, Google Scholar

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Yasmine S. Al-Hamdani

 

Photo of Yasmine S. Al-HamdaniContact details:

Office: Room 348, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 379 09
Email: y.al-hamdani@ucl.ac.uk
Web: www.ucl.ac.uk/ice

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News

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The ICE group is moving!

Angelos has accepted a position in Cambridge, and so the ICE group is moving! It’s going to be a reasonably slow multi-year phase transition. You can find more information in the official announcement. Congratulations, Angelos, and all the best for this exciting new opportunity!

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Angelos appears on Clarivate’s ‘Highly Cited Researchers’ list!

Angelos has appeared on Clarivate’s ‘Highly Cited Researchers’ list for the second year in a row. Inclusion on the list is based on the number of recent publications that ranked in the top 1% by citations in a given field and year. For further details see: https://www.ucl.ac.uk/news/2019/nov/ucl-academics-named-global-list-influential-researchers Congratulations!

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Martin wins PhD prize!

Martin won the Marshall Stoneham prize for his PhD thesis on “Merging data-driven and computational methods to understand ice nucleation”. It is awarded by the Condensed Matter & Materials Physics Group (CMMP) for outstanding postgraduate research. Well done!

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Fabian wins Best Poster prize at the MMM Hub conference!

The second annual Materials & Molecular Modelling (MMM) Hub Conference and User Meeting took place on 3-4 September. Many excellent talks demonstrated how the computational resources provided by the MMM Hub are used to tackle challenges in many areas of biological, chemical, and physical research. This was also illustrated by more than 50 posters, spanning […]

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Science and sports in York

Last weekend, the ICE group gathered in York for the International Materials Simulation Workshop. Current and former members as well as collaborators talked about their recent projects and discussed how to tackle society’s big challenges, utilize advancements in methodology and make the most of fruitful collaborations. The meeting highlighted the diverse range of problems that […]

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Triple Triathlon at Castle Howard in support of WaterAid

The ICE group will be participating in the Castle Triathlon series for the third year in a row. This time, three relays teams are going to compete at Castle Howard, near York, on 21 July. They will be swimming, cycling and running a combined distance of roughly 280 km! As part of the tradition, the […]

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Open postdoc position (University of Manchester & ICE group)

A 2-year postdoc position is available in the Condensed Matter Physics group at the University of Manchester. The project will be carried out in collaboration with the ICE group and involves developing and applying theoretical models to understand the anomalous dielectric behaviour of water under confinement (Fumagalli et al. Science 360, 1339-1342, 2018). You can […]

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Angelos sets world record at the London Marathon!

Angelos set a new world record for the “fastest marathon dressed as a scientist (male)” at this year’s London Marathon, finishing in 3:22:51. Congratulations! He also managed to raise more than £3000 in support of WaterAid, an international charity working to provide clean water and decent toilets to people all over the world. Many thanks […]

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Welcome Julia!

The ICE group has a new member: Julia will be working on C-H activation at single-atom alloy catalysts. The project involves collaboration with Michail Stamatakis from UCL’s Department of Chemical Engineering. We hope you will have a pleasant and productive time in the ICE group!

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Nature Reviews Chemistry on surface premelting of water ice published!

In a recently published Nature Reviews Chemistry article, titled “Surface premelting of water ice”, Ben Slater and Angelos review the current understanding of the quasi-liquid layer (QLL) that forms on the surface of ice. The review describes how advances in experimental and computational techniques furthered our understanding in the years since Faraday first postulated the […]

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Group gatherings