Spin–echo diffusion coefficients of water to 2380 bar and −20°C

Angell, C. Austen; Finch, E. D.; Bach, Paul M.

doi:10.1063/1.433518

Cited by 162 publications

(145 citation statements)

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“…E. g., for T ≈ 0.35u 0 /k B and starting from low P, the diffusivity first decreases until P ≈ 15u 0 /d 3 , then it increases anomalously until around P ≈ 30u 0 /d 3 , and then it decreases again. Such behavior, known as diffusion anomaly, is experimentally observed in liquid water [24]. In conclusion, MCT calculations predict that the squareshoulder system is characterized by an unusual slow dynamics, based on the competition between two repulsive length scales.…”

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confidence: 87%

Disconnected Glass-Glass Transitions and Diffusion Anomalies in a Model with Two Repulsive Length Scales

Sperl

Zaccarelli²,

Sciortino³

et al. 2010

Phys. Rev. Lett.

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Building on mode-coupling-theory calculations, we report a novel scenario for multiple glass transitions in a purely repulsive spherical potential: the square-shoulder. The liquid-glass transition lines exhibit both melting by cooling and melting by compression as well as associated diffusion anomalies, similar to the ones observed in water. Differently from all previously investigated models, here for small shoulder widths a glass-glass line is found that is disconnected from the liquid phase. Upon increasing the shoulder width such a glass-glass line merges with the liquid-glass transition lines, featuring two distinct endpoint singularities that give rise to logarithmic decays in the dynamics. These findings can be explained analytically by the interplay of different repulsive length scales. 66.30.jj, 64.70.ph, 64.70.pe In the field of glassy slow dynamics, many experiments and simulations have been inspired in recent years by the modecoupling theory of the glass transition (MCT) [1]. The theory deals with density autocorrelation functions φ q (t) with wave vectors q, and predicts their long-time limits f q . While in the liquid state f q = 0, the glass state is defined by f q > 0. MCT was first applied to the hard-sphere system (HSS) where a liquid-glass transition was identified [2], and confirmed by experiments [3]. In addition to liquid-glass transitions, for certain interactions MCT also predicts glass-glass transitions: In this case an existing first glass state with f 1 q transforms into a second distinct glass state with f 2 q > f 1 q discontinuously. Such glass-glass transitions were predicted for the square-well system (SWS) where the hard-core repulsion is supplemented by a short-ranged attraction [4,5,6]. In the SWS, the first glass state is driven by repulsion like in the HSS and the second glass state is driven by attraction. The competition between these two mechanisms is responsible for the emergence of glass-glass transitions. Such a line of glass-glass transitions extends smoothly a line of liquid-glass transitions into the glass state and terminates in an endpoint singularity. Close to the endpoint singularity the dynamics is ruled by logarithmic relaxation [7]. The predicted logarithmic decays were identified in computer simulations and establish the relevance of endpoint singularities for the description of glassy dynamics [8,9]. A second dynamical anomaly predicted for the SWS concerns a reentrant liquid-glass line that causes melting by cooling [4,5,6]. This prediction of MCT was confirmed by computer simulation [10] and by experiments in colloidal suspensions [11,12].In this work we replace the attractive length scale in the SWS by a second repulsive length scale δ of the squareshoulder system (SSS) as shown in Fig. 1. The SSS can be considered the simplest potential with two competing interparticle distances; it is applied to describe properties of metallic glasses like cerium or cesium [13] In the following, the glass-transition diagrams are calculated from the singularities of ...

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confidence: 87%

Disconnected Glass-Glass Transitions and Diffusion Anomalies in a Model with Two Repulsive Length Scales

Sperl

Zaccarelli²,

Sciortino³

et al. 2010

Phys. Rev. Lett.

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“…Fig. 4 compares the pressure dependence of the self diffusion coefficient, characterizing translational motion, with the pressure dependence of 1/T 2 , the inverse rotational correlation times, as obtained from oxygen-17-spin lattice relaxation time measurements by Lang and Lüdemann [21].…”

Section: Discussion Pressure Dependence Of Dynamic Propertiesmentioning

confidence: 99%

The Pressure Dependence of Self Diffusion in Supercooled Light and Heavy Water

Prielmeier

Lang

Speedy

et al. 1988

Ber Bunsenges Phys Chem

178

153

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“…Besides the thermodynamic anomalies water also exhibits an unusual behavior in its mobility. The diffusion coefficient that for normal liquids increases with the decrease of pressure, for water it has a maximum at 4 o C for 1.5 atm 3,8 . The presence of the large increase in the response function induced the idea of the existence of two liquid phases and a critical point 9 .…”

Section: Introductionmentioning

confidence: 99%

Anomalies in a waterlike model confined between plates

Krott

Barbosa

2013

The Journal of Chemical Physics

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Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range of confining distances we had explored we observe that in the pressure-temperature phase diagram the temperature of maximum density In the case of three layers the central layer stays liquid while the contact layers crystallize. This result is in agreement with simulations for atomistic models.

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Spin–echo diffusion coefficients of water to 2380 bar and −20°C

Cited by 162 publications

References 18 publications

Disconnected Glass-Glass Transitions and Diffusion Anomalies in a Model with Two Repulsive Length Scales

Disconnected Glass-Glass Transitions and Diffusion Anomalies in a Model with Two Repulsive Length Scales

The Pressure Dependence of Self Diffusion in Supercooled Light and Heavy Water

Anomalies in a waterlike model confined between plates

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