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Non-equilibrium dynamics and structure of interfacial ice

Andreussi, Oliviero and Donadio, Davide and Parrinello, Michele and Zewail, Ahmed H. (2006) Non-equilibrium dynamics and structure of interfacial ice. Chemical Physics Letters, 426 (1-3). pp. 115-119. ISSN 0009-2614. doi:10.1016/j.cplett.2006.04.114.

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Stimulated by recent experiments [C.-Y. Ruan et al. Science 304, (2004) 81], we have performed molecular dynamics and ab initio structural studies of the laser-induced heating and restructuring processes of nanometer-scale ice on a substrate of chlorine terminated Si(1 1 1). Starting from proton disordered cubic ice configurations the thin film behavior has been characterized at several temperatures up to the melting point. The surface induces order with crystallization in the I_c lattice, but with void amorphous regions. The structure changes on the ultrashort time scale and restructures by heat dissipation depending on the relaxation time and final temperature. Our results show the general behavior observed experimentally, thus providing the nature of forces in the atomic-scale description of interfacial ice.

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Additional Information:© 2006 Elsevier B.V. Received 20 April 2006. Available online 13 May 2006.
Issue or Number:1-3
Record Number:CaltechAUTHORS:20160816-145534889
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Official Citation:Oliviero Andreussi, Davide Donadio, Michele Parrinello, Ahmed H. Zewail, Non-equilibrium dynamics and structure of interfacial ice, Chemical Physics Letters, Volume 426, Issues 1–3, 26 July 2006, Pages 115-119, ISSN 0009-2614, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:69675
Deposited On:23 Aug 2016 18:22
Last Modified:11 Nov 2021 04:18

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