How Cubic Can Ice Be?

Journal Article · Fri Jun 30 00:00:00 EDT 2017 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.7b01142· OSTI ID:1368595

Amaya, Andrew J. ^[1]; Pathak, Harshad ^[1]; Modak, Viraj P. ^[1]; Laksmono, Hartawan ^[2]; Loh, N. Duane ^[3]; Sellberg, Jonas A.  ^[4]; Sierra, Raymond G. ^[2]; McQueen, Trevor A. ^[5]; Hayes, Matt J. ^[6]; Williams, Garth J. ^[7]; Messerschmidt, Marc ^[8]; Boutet, Sébastien ^[6]; Bogan, Michael J. ^[2]; Nilsson, Anders ^[9]; Stan, Claudiu A.  ^[2]; Wyslouzil, Barbara E.  ^[10]

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1. William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, Ohio 43210, United States
2. Stanford PULSE Institute, SLAC National Acceleratory Laboratory, Menlo Park, California 94025, United States
3. Stanford PULSE Institute, SLAC National Acceleratory Laboratory, Menlo Park, California 94025, United States, Department of Physics, National University of Singapore, Singapore 117557
4. Stanford PULSE Institute, SLAC National Acceleratory Laboratory, Menlo Park, California 94025, United States, Department of Physics, AlbaNova University Center, Stockholm University, S-106 91 Stockholm, Sweden, Biomedical and X-ray Physics, Department of Applied Physics, AlbaNova University Center, KTH Royal Institute of Technology, S-106 91 Stockholm, Sweden, SUNCAT Center for Interface Science & Catalysis, SLAC National Laboratory, Menlo Park, California 94025, United States
5. SUNCAT Center for Interface Science & Catalysis, SLAC National Laboratory, Menlo Park, California 94025, United States, Department of Chemistry, Stanford University, Stanford, California 94305, United States
6. Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States
7. Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States, Brookhaven National Laboratory, Upton, New York 11973, United States
8. Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States, National Science Foundation BioXFEL Science and Technology Center, Buffalo, New York 14203, United States
9. Stanford PULSE Institute, SLAC National Acceleratory Laboratory, Menlo Park, California 94025, United States, Department of Physics, AlbaNova University Center, Stockholm University, S-106 91 Stockholm, Sweden, Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States
10. William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, Ohio 43210, United States, Department of Chemistry and Biochemistry, Ohio State University, Columbus, Ohio 43210, United States

Using an X-ray laser, we investigated the crystal structure of ice formed by homogeneous ice nucleation in deeply supercooled water nanodrops (r ≈ 10 nm) at ~225 K. The nanodrops were formed by condensation of vapor in a supersonic nozzle, and the ice was probed within 100 μs of freezing using femtosecond wide-angle X-ray scattering at the Linac Coherent Light Source free-electron X-ray laser. The X-ray diffraction spectra indicate that this ice has a metastable, predominantly cubic structure; the shape of the first ice diffraction peak suggests stacking-disordered ice with a cubicity value, χ, in the range of 0.78 ± 0.05. The cubicity value determined here is higher than those determined in experiments with micron-sized drops but comparable to those found in molecular dynamics simulations. The high cubicity is most likely caused by the extremely low freezing temperatures and by the rapid freezing, which occurs on a ~1 μs time scale in single nanodroplets.

• Research Organization: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
• Grant/Contract Number: CHE-1213959; CHE-1464924; AC02-76SF00515; AC02-06CH11357
• OSTI ID: 1368595
• Alternate ID(s): OSTI ID: 1368366; OSTI ID: 1372318
• Journal Information: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Vol. 8 Journal Issue: 14; ISSN 1948-7185
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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