Predictions of dynamic behavior under pressure for two scenarios to explain water anomalies

被引:83
作者
Kumar, Pradeep [1 ]
Franzese, Giancarlo [1 ]
Stanley, H. Eugene
机构
[1] Univ Barcelona, Dept Fis Fonamental, E-08028 Barcelona, Spain
关键词
D O I
10.1103/PhysRevLett.100.105701
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Using Monte Carlo simulations and mean field calculations for a cell model of water we find a dynamic crossover in the orientational correlation time tau from non-Arrhenius behavior at high temperatures to Arrhenius behavior at low temperatures. This dynamic crossover is independent of whether water at very low temperature is characterized by a "liquid-liquid critical point" or by the "singularity-free" scenario. We relate tau to fluctuations of hydrogen bond network and show that the crossover found for tau for both scenarios is a consequence of the sharp change in the average number of hydrogen bonds at the temperature of the specific heat maximum. We find that the effect of pressure on the dynamics is strikingly different in the two scenarios, offering means to distinguish between them.
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页数:4
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共 23 条
[1]   Amorphous water [J].
Angell, CA .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2004, 55 :559-583
[2]   NEAR-INFRARED SPECTRA AND THE DISRUPTED NETWORK MODEL OF NORMAL AND SUPERCOOLED WATER [J].
ANGELL, CA ;
RODGERS, V .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (12) :6245-6252
[3]   RAMAN-SCATTERING AND STRUCTURE OF NORMAL AND SUPERCOOLED WATER [J].
DARRIGO, G ;
MAISANO, G ;
MALLAMACE, F ;
MIGLIARDO, P ;
WANDERLINGH, F .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (09) :4264-4270
[4]   Supercooled and glassy water [J].
Debenedetti, PG .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (45) :R1669-R1726
[5]   Supercooled and glassy water [J].
Debenedetti, PG ;
Stanley, HE .
PHYSICS TODAY, 2003, 56 (06) :40-46
[6]   Intramolecular coupling as a mechanism for a liquid-liquid phase transition -: art. no. 011103 [J].
Franzese, G ;
Marqués, MI ;
Stanley, HE .
PHYSICAL REVIEW E, 2003, 67 (01) :7
[7]   A theory for discriminating the mechanism responsible for the water density anomaly [J].
Franzese, G ;
Stanley, HE .
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2002, 314 (1-4) :508-513
[8]   Liquid-liquid critical point in a Hamiltonian model for water: analytic solution [J].
Franzese, G ;
Stanley, HE .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (09) :2201-2209
[9]   The Widom line of supercooled water [J].
Franzese, Giancarlo ;
Stanley, H. Eugene .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (20)
[10]   Pressure evolution of the high-frequency sound velocity in liquid water [J].
Krisch, M ;
Loubeyre, P ;
Ruocco, G ;
Sette, F ;
Cunsolo, A ;
D'Astuto, M ;
LeToullec, R ;
Lorenzen, M ;
Mermet, A ;
Monaco, G ;
Verbeni, R .
PHYSICAL REVIEW LETTERS, 2002, 89 (12) :125502-125502