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IRTG Lecture

Freitag, 13. Mai 2016 10:00 Uhr;

JGU Mainz, Physics, Newton-Raum


Yuki Nagata: Modeling of interfacial water

When water is in contact with air phase, the water hydrogen-bonded network is interrupted, differentiating the properties of interfacial water different from that of bulk water. We review the recent simulation progress in computing the experimentally accessible observables such as surface-specific sum-frequency spectra [1,2] and surface tension [3,4]. Furthermore, by using the simulation technique, we demonstrate that the evaporation of water occurs not in a purely stochastic manner rather in a well timed manner.[5]

[1] F. Perakis, L. De Marco, A. Shalit, F. Tang, Z.R. Kann, T.D. Kuehne, R. Torre, M. Bonn, and Y. Nagata, Chem. Rev. 2016
[2] M. Bonn, Y. Nagata, and E.H.G. Backus, Angew. Chem. 2015
[3] Y. Nagata, T. Ohto, E.H.G. Backus, and M. Bonn, J. Phys. Chem. B 2016 (editor's choice)
[4] Y. Nagata, T. Ohto, M. Bonn, and T.D. Kuehne, J. Chem. Phys. submitted
[5] Y. Nagata, K, Usui, M. Bonn, Phys. Rev. Lett. 2015. (editor's suggestion)


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