Relation between the high density phase and the very-high density phase of amorphous solid water

Physical Review Letters

Volumn 94, Issue 10, 2005, Pages

  Giovambattista, Nicolas ^a   Stanley, H Eugene ^a   Sciortino, Francesco ^b  

^a Boston University   (United States)

^b UNIVERSITÀ DI ROMA LA SAPIENZA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

HIGH DENSITY LIQUID (HDL) WATER; HIGH-DENSITY AMORPHOUS (HDA) ICE; RADIAL DISTRIBUTION FUNCTIONS; VERY HIGH DENSITY AMORPHOUS (VHDA) ICE;

AMORPHOUS MATERIALS; ANNEALING; COMPUTER SIMULATION; COOLING; DENSITY (SPECIFIC GRAVITY); GLASS; MATHEMATICAL MODELS; QUENCHING; STRUCTURAL ANALYSIS; THERMODYNAMICS; VAPOR DEPOSITION; WATER;

ICE;

EID: 12944267669     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.107803     Document Type: Article

References (30)

1. P. Jenniskens et al., J. Chem. Phys. 107, 1232 (1997).
2. P. G. Debenedetti, J. Phys. Condens. Matter 15, R1669 (2003); C. A. Angell, Annu. Rev. Phys. Chem. 55, 559 (2004).
3. P. G. Debenedetti, J. Phys. Condens. Matter 15, R1669 (2003); C. A. Angell, Annu. Rev. Phys. Chem. 55, 559 (2004).
4. T. Loerting et al., Phys. Chem. Chem. Phys. 3, 5355 (2001).
5. J. L. Finney et al., Phys. Rev. Lett. 89, 205503 (2002).
6. S. Klotz et al., Phys. Rev. Lett. 89, 285502 (2002).
7. M. Guthrie et al., Phys. Rev. B 68, 184110 (2003).
8. C. A. Tulk et al., Science 297, 1320 (2002).
9. T. Loerting et al., J. Chem. Phys. 116, 3171 (2002).
10. J. L. Finney et al., Phys. Rev. Lett. 88, 225503 (2002).
11. O. Mishima and Y. Suzuki, Nature (London) 419, 599 (2002).
12. B. Guillot and Y. Guissani, J. Chem. Phys. 119, 11740 (2003).
13. V. V. Brazhkin and A. G. Lyapin, J. Phys. Condens. Matter 15, 6059 (2003).
14. N. Giovambattista et al., Phys. Rev. Lett. 91, 115504 (2003).
15. O. Mishima et al., Science 254, 406 (1991).
16. O. Mishima et al., Nature (London) 314, 76 (1985).
17. P. Brügeller and E. Mayer, Nature (London) 288, 569 (1980).
18. O. Mishima and Y. Suzuki, J. Chem. Phys. 115, 4199 (2001).
19. P. H. Poole et al., Nature (London) 360, 324 (1992).
20. P. H. Poole et al., Phys. Rev. E 48, 4605 (1993).
21. D. D. Klug, Nature (London) 420, 749 (2002).
22. I. Brovchenko et al., J. Chem. Phys. 118, 9473 (2003).
23. S. Harrington et al., J. Chem. Phys. 107, 7443 (1997).
24. HDA is usually prepared in experiments by compression of hexagonal ice at low temperatures. In this Letter, we associate the name HDA with the glass resulting from compression of configurations generated from low ρ quenches of the liquid. This is consistent with experiments [G. P. Johari, A. Hallbrucker, and E. Mayer, Science 273, 90 (1996)] showing that HDA can be obtained not only by compression of LDA but also by uniaxial compression at T = 77 K of HGW and amorphous solid water (ASW).
25. O. Mishima, Nature (London) 384, 546 (1996).
26. J. S. Tse and M. L. Klein, Phys. Rev. Lett. 58, 1672 (1987).
27. We note that a work identifying VHDA from molecular dynamics simulations using the TIP4P model was published while this work was under review [R. Martoňák, D. Donadio, and M. Parrinello, Phys. Rev. Lett. 92, 225702 (2004)].
28. Technically, glasses with different thermal and P histories are different in their structure and in their aging dynamics. In standard materials, differences in the structure of individual glasses are continuous. In the case of polyamorphous disordered materials, differences between glasses are significant and discontinuous. These differences suggest to group individual glasses in families. In the case of water, LDA labels the glasses of low ρ, HDA the ones of intermediate ρ (from compressing the crystal), and VHDA the high P - high T annealed HDA.
29. We calculate P according to the virial expression for rigid molecule systems.
30. L. Haar et al., NBS/NRC Steam Tables (Hemisphere, Washington, DC, 1985).