Theory of amorphous ices

Proceedings of the National Academy of Sciences of the United States of America

Volumn 111, Issue 26, 2014, Pages 9413-9418

  Limmer, David T ^a,b   Chandler, David ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

Glass transition; Putative liquid liquid transition

Indexed keywords

AMORPHOUS ICE; GLASS; ICE; UNCLASSIFIED DRUG; WATER;

AGING; ARTICLE; COMPUTER SIMULATION; CRYSTALLIZATION; DENSITY; DYNAMICS; GLASS TRANSITION TEMPERATURE; LIQUID; LOW TEMPERATURE; MELTING POINT; PHENOMENOLOGY; PRESSURE; PRIORITY JOURNAL; SOLID; THEORY;

GLASS TRANSITION; PUTATIVE LIQUID-LIQUID TRANSITION;

CRYSTALLIZATION; ICE; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; PHASE TRANSITION; TEMPERATURE; TIME FACTORS;

EID: 84903748744     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1407277111     Document Type: Article

References (49)

1. Loerting T, Giovambattista N (2006) Amorphous ices: Experiments and numerical simulations. J Phys Condens Matter 18(50):R919.
2. Angell CA (2004) Amorphous water. Annu Rev Phys Chem 55:559-583.
3. Mishima O, Calvert LD, Whalley E (1985) An apparently first-order transition between two amorphous phases of ice induced by pressure. Nature 314: 76-78.
4. Debenedetti PG (2003) Supercooled and glassy water. J Phys Condens Matter 15: R1669-R1726.
5. Angell CA (1995) Formation of glasses from liquids and biopolymers. Science 267(5206): 1924-1935.
6. Elsaesser MS, Winkel K, Mayer E, Loerting T (2010) Reversibility and isotope effect of the calorimetric glass → liquid transition of low-density amorphous ice. Phys Chem Chem Phys 12(3):708-712.
7. Mishima O (2000) Liquid-liquid critical point in heavy water. Phys Rev Lett 85(2):334-336.
8. Chen JY, Yoo CS (2011) High density amorphous ice at room temperature. Proc Natl Acad Sci USA 108(19):7685-7688.
9. Amann-Winkel K, et al. (2013) Water's second glass transition. Proc Natl Acad Sci USA 110(44):17720-17725.
10. Poole PH, Sciortino F, Grande T, Stanley HE, Angell CA (1994) Effect of hydrogen bonds on the thermodynamic behavior of liquid water. Phys Rev Lett 73(12): 1632-1635.
11. Li Y, Li J, Wang F (2013) Liquid-liquid transition in supercooled water suggested by microsecond simulations. Proc Natl Acad Sci USA 110(30):12209-12212.
12. Poole PH, Bowles RK, Saika-Voivod I, Sciortino F (2013) Free energy surface of ST2 water near the liquid-liquid phase transition. J Chem Phys 138(3):034505.
13. Liu Y, Palmer JC, Panagiotopoulos AZ, Debenedetti PG (2012) Liquid-liquid transition in ST2 water. J Chem Phys 137(21):214505.
14. Kesselring T, Franzese G, Buldyrev S, Herrmann H, Stanley HE (2012) Nanoscale dynamics of phase flipping in water near its hypothesized liquid-liquid critical point. Sci Rep 2:474.
15. Holten V, Limmer DT, Molinero V, Anisimov MA (2013) Nature of the anomalies in the supercooled liquid state of the mW model of water. J Chem Phys 138(17):174501.
16. Limmer DT, Chandler D (2011) The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. J Chem Phys 135(13):134503.
17. Limmer DT, Chandler D (2013) The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II. J Chem Phys 138(21):214504.
18. Limmer DT, Chandler D (2012) Phase diagram of supercooled water confined to hydrophilic nanopores. J Chem Phys 137(4):044509.
19. Limmer DT, Chandler D (2013) Corresponding states for mesostructure and dynamics of supercooled water. Faraday Discuss 167:485-498.
20. Vega C, Abascal JL (2005) Relation between the melting temperature and the temperature of maximum density for the most common models of water. J Chem Phys 123(14):144504.
21. Moore EB, Molinero V (2010) Ice crystallization in water's "no-man's land." J Chem Phys 132(24):244504.
22. Keys AS, Garrahan JP, Chandler D (2013) Calorimetric glass transition explained by hierarchical dynamic facilitation. Proc Natl Acad Sci USA 110:4482-4487.
23. Limmer DT (2013) The length and time scales of water's glass transitions. arXiv: 1312.2609.
24. Yue Y, Angell CA (2004) Clarifying the glass-transition behaviour of water by comparison with hyperquenched inorganic glasses. Nature 427(6976):717-720.
25. Elmatad YS, Jack RL, Chandler D, Garrahan JP (2010) Finite-temperature critical point of a glass transition. Proc Natl Acad Sci USA 107(29):12793-12798.
26. Nelmes RJ, et al. (2006) Annealed high-density amorphous ice under pressure. Nat Phys 2:414-418.
27. Chiu J, Starr FW, Giovambattista N (2013) Pressure-induced transformations in computer simulations of glassy water. J Chem Phys 139(18):184504.
28. Touchette H (2009) The large deviation approach to statistical mechanics. Phys Rep 478:1-69.
29. Hedges LO, Jack RL, Garrahan JP, Chandler D (2009) Dynamic order-disorder in atomistic models of structural glass formers. Science 323(5919):1309-1313.
30. Speck T, Chandler D (2012) Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers. J Chem Phys 136(18):184509.
31. Jack RL, Hedges LO, Garrahan JP, Chandler D (2011) Preparation and relaxation of very stable glassy states of a simulated liquid. Phys Rev Lett 107(27):275702.
32. Speck T, Malins A, Royall CP (2012) First-order phase transition in a model glass former: Coupling of local structure and dynamics. Phys Rev Lett 109(19):195703.
33. Elmatad YS, Keys AS (2012) Manifestations of dynamical facilitation in glassy materials. Phys Rev E 85(6 Pt 1):061502.
34. Keys AS, Hedges LO, Garrahan JP, Glotzer SC, Chandler D (2011) Excitations are localized and relaxation is hierarchical in glass-forming liquids. Phys Rev X 1:021013.
35. Steinhardt PJ, Nelson DR, Ronchetti M (1983) Bond-orientational order in liquids and glasses. Phys Rev B 28:784.
36. Molinero V, Moore EB (2009) Water modeled as an intermediate element between carbon and silicon. J Phys Chem B 113(13):4008-4016.
37. Moore EB, Molinero V (2011) Structural transformation in supercooled water controls the crystallization rate of ice. Nature 479(7374):506-508.
38. Martyna GJ, Klein ML, Tuckerman M (1992) Nosé-Hoover chains: The canonical ensemble via continuous dynamics. J Chem Phys 97:2635-2643.
39. Bolhuis PG, Chandler D, Dellago C, Geissler PL (2002) Transition path sampling: Throwing ropes over rough mountain passes, in the dark. Annu Rev Phys Chem 53: 291-318.
40. Garrahan JP, et al. (2009) First-order dynamical phase transition in models of glasses: An approach based on ensembles of histories. J Phys A: Math Theor 42:075007.
41. Keys AS, Chandler D, Garrahan JP (2014) Using the s-ensemble to probe glasses formed by cooling and aging. arXiv:1401.7206.
42. Bove LE, Klotz S, Philippe J, Saitta AM (2011) Pressure-induced polyamorphism in salty water. Phys Rev Lett 106(12):125701.
43. Eisenberg DS, KauzmannW(2005) The Structure and Properties of Water (Clarendon, London) .
44. Soper AK, Ricci MA (2000) Structures of high-density and low-density water. Phys Rev Lett 84(13):2881-2884.
45. Sollich P, Evans MR (1999) Glassy time-scale divergence and anomalous coarsening in a kinetically constrained spin chain. Phys Rev Lett 83:3238.
46. Amann-Winkel K, et al. (2012) Limits of metastability in amorphous ices: The neutron scattering Debye-Waller factor. Phys Chem Chem Phys 14(47):16386-16391.
47. Cardy J (1996) Scaling and Renormalization in Statistical Physics (Cambridge Univ Press, Cambridge, UK) , Vol 5.
48. Finney JL, Hallbrucker A, Kohl I, Soper AK, Bowron DT (2002) Structures of high and low density amorphous ice by neutron diffraction. Phys Rev Lett 88(22):225503.
49. Mishima O, Stanley HE (1998) The relationship between liquid, supercooled and glassy water. Nature 396:329-335.