Relaxation effects in low density amorphous ice: Two distinct structural states observed by neutron diffraction

Journal of Chemical Physics

Volumn 130, Issue 20, 2009, Pages

  Winkel, K ^a   Bowron, D T ^b   Loerting, T ^a   Mayer, E ^a   Finney, J L ^c  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELING; COMPRESSION BEHAVIOR; ENERGY LANDSCAPE; HIGH-DENSITY AMORPHOUS ICES; INTERMEDIATE RANGE ORDER; ISOTHERMAL DECOMPRESSION; ISOTOPIC SUBSTITUTION; LENGTH SCALE; LOW-DENSITY AMORPHOUS ICES; MACROSCOPIC DENSITY; RELAXATION EFFECT; SCATTERING PATTERN; STRUCTURAL DIFFERENCES; STRUCTURAL PERTURBATION; STRUCTURAL STATE; VERY HIGH DENSITY AMORPHOUS ICES; WATER NETWORKS;

HYDROGEN; ICE; NEUTRON DIFFRACTION;

AMORPHOUS MATERIALS;

EID: 66749106811     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3139007     Document Type: Article

References (24)

1. P. G. Debenedetti, J. Phys.: Condens. Matter 0953-8984 15, R1669 (2003). 10.1088/0953-8984/15/45/R01
2. T. Loerting and N. Giovambattista, J. Phys.: Condens. Matter 0953-8984 18, R919 (2006). 10.1088/0953-8984/18/50/R01
3. B. Guillot and Y. Guissani, J. Chem. Phys. 0021-9606 119, 11740 (2003). 10.1063/1.1624055
4. E. F. Burton and W. F. Oliver, Nature (London) 0028-0836 135, 505 (1935). 10.1038/135505b0
5. A. Hallbrucker, E. Mayer, and G. P. Johari, J. Phys. Chem. 0022-3654 93, 7751 (1989). 10.1021/j100360a003
6. E. Mayer and P. Brüggeller, Nature (London) 0028-0836 288, 569 (1980). 10.1038/288569a0
7. O. Mishima, L. D. Calvert, and E. Whalley, Nature (London) 0028-0836 314, 76 (1985). 10.1038/314076a0
8. O. Mishima, L. D. Calvert, and E. Whalley, Nature (London) 0028-0836 310, 393 (1984). 10.1038/310393a0
9. T. Loerting, C. Salzmann, I. Kohl, E. Mayer, and A. Hallbrucker, Phys. Chem. Chem. Phys. 1463-9076 3, 5355 (2001). 10.1039/b108676f
10. D. T. Bowron, J. L. Finney, A. Hallbrucker, I. Kohl, T. Loerting, E. Mayer, and A. K. Soper, J. Chem. Phys. 0021-9606 125, 194502 (2006). 10.1063/1.2378921
11. O. Mishima and H. E. Stanley, Nature (London) 0028-0836 396, 329 (1998). 10.1038/24540
12. J. L. Finney, A. Hallbrucker, I. Kohl, A. K. Soper, and D. T. Bowron, Phys. Rev. Lett. 0031-9007 88, 225503 (2002). 10.1103/PhysRevLett.88.225503
13. J. L. Finney, D. T. Bowron, A. K. Soper, T. Loerting, E. Mayer, and A. Hallbrucker, Phys. Rev. Lett. 0031-9007 89, 205503 (2002). 10.1103/PhysRevLett. 89.205503
14. C. A. Tulk, C. J. Benmore, J. Urquidi, D. D. Klug, J. Neuefeind, B. Tomberli, and P. A. Egelstaff, Science 0036-8075 297, 1320 (2002). 10.1126/science.1074178
15. M. M. Koza, H. Schober, H. E. Fischer, T. Hansen, and F. Fujara, J. Phys.: Condens. Matter 0953-8984 15, 321 (2003). 10.1088/0953-8984/15/3/301
16. O. Mishima and Y. Suzuki, Nature (London) 0028-0836 419, 599 (2002). 10.1038/nature01106
17. R. J. Nelmes, J. S. Loveday, T. Strässle, C. L. Bull, M. Guthrie, G. Hamel, and S. Klotz, Nat. Phys. 1745-2473 2, 414 (2006). 10.1038/nphys313
18. K. Winkel, M. S. Elsaesser, E. Mayer, and T. Loerting, J. Chem. Phys. 0021-9606 128, 044510 (2008). 10.1063/1.2830029
19. The accuracy that can be obtained when comparing two separate experiments is about ±0.01 GPa and is much better when comparing two curves in a single experiment. The accuracy of the compression curve measurements has recently been improved beyond the original method reported in K. Winkel, W. Schustereder, I. Kohl, C. G. Salzmann, E. Mayer, and T. Loerting, Proceedings of the 11th International Conference on the Physics and Chemistry of Ice, 2007, pp. 641-648. This improvement was achieved by (i) reducing the height of the sample through the use of a 10 mm bore compression volume instead of the original 8 mm bore, (ii) by carefully controlling the history of the LDA sample (e.g., annealing time, temperature, rate of and heating) and (iii) by improving the temperature control of the sample from ±2 K to ±1 K at all stages of the transformation.
20. LDAI was produced by controlled heating of HDA to 122 K and recooling to 80 K directly in the TiZr cell during the neutron scattering experiment (Ref.). LDAII was produced in a piston-cylinder apparatus of 10 mm bore diameter by slow decompression of VHDA at 140 K to 0.02 GPa with a rate of 20 MPa/min, and then quench recovering the sample (Ref.). The original VHDA state was prepared via the formation of HDA by the compression of hexagonal ice at 100 K to a pressure of 1.4 GPa (Refs.), followed by annealing at 1.1 GPa to 160 K.
21. A. K. Soper, Phys. Rev. B 0163-1829 72, 104204 (2005). 10.1103/PhysRevB.72.104204
22. The density of both LDAI and LDAII is the same and had been measured by flotation as described in Ref.
23. C. G. Salzmann, I. Kohl, T. Loerting, E. Mayer, and A. Hallbrucker, Phys. Chem. Chem. Phys. 1463-9076 5, 3507 (2003). 10.1039/b305624d
24. Y. P. Handa, O. Mishima, and E. Whalley, J. Chem. Phys. 0021-9606 84, 2766 (1986). 10.1063/1.450301