The puzzling behavior of water at very low temperature

Stanley, H. Eugene; Buldyrev, Sergey V.; Canpolat, Murat; Mishima, Osamu; Sadr-Lahijany, M. Reza; Scala, Antonio; Starr, Francis W.

doi:10.1039/b000058m

Cited by 78 publications

(64 citation statements)

References 60 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This work, supported by the NSF Chemistry Division, has been carried out with many collaborators and has been heavily influenced by a number of experimentalists including S.-H. Chen [44,50,77,82], L. Liu [39,40], F. Mallamace [85,86], O. Mishima [13,87,88], J. Teixeira [89][90][91], M.-C. Bellissent [92][93][94][95], and H. Reichert [96].…”

Section: Acknowledgmentsmentioning

confidence: 99%

The puzzling unsolved mysteries of liquid water: Some recent progress

Stanley

Kumar

et al. 2007

Physica A: Statistical Mechanics and its Applications

View full text Add to dashboard Cite

Water is perhaps the most ubiquitous, and the most essential, of any molecule on earth. Indeed, it defies the imagination of even the most creative science fiction writer to picture what life would be like without water. Despite decades of research, however, water's puzzling properties are not understood and 63 anomalies that distinguish water from other liquids remain unsolved. We introduce some of these unsolved mysteries, and demonstrate recent progress in solving them. We present evidence from experiments and computer simulations supporting the hypothesis that water displays a special transition point (which is not unlike the ''tipping point'' immortalized by Malcolm Gladwell). The general idea is that when the liquid is near this ''tipping point,'' it suddenly separates into two distinct liquid phases. This concept of a new critical point is finding application to other liquids as well as water, such as silicon and silica. We also discuss related puzzles, such as the mysterious behavior of water near a protein. r

show abstract

Section: Acknowledgmentsmentioning

confidence: 99%

The puzzling unsolved mysteries of liquid water: Some recent progress

Stanley

Kumar

et al. 2007

Physica A: Statistical Mechanics and its Applications

View full text Add to dashboard Cite

show abstract

“…Among liquid water's anomalous properties are the well-known increase of density upon isobaric cooling, 2 the increase of the response functions, such as specific heat and compressibility, upon isobaric cooling, 3,4 and the increase of diffusivity upon isothermal compression 5 (see, e.g., Refs. [6][7][8]. Perhaps less well known are water's anomalous properties in the glass state.…”

Section: Introductionmentioning

confidence: 99%

Pressure-induced transformations in computer simulations of glassy water

Chiu

Starr

Giovambattista

2013

The Journal of Chemical Physics

View full text Add to dashboard Cite

Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and highdensity amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a lowdensity and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water. © 2013 AIP Publishing LLC.

show abstract

“…the existence of more than one amorphous structure in a single substance (Mishima & Stanley, 1998;Stanley et al, 2000;Debenedetti, 2003). The most intriguing scenario is based on the existence of two distinct liquid states, which was established as a possibility in molecular dynamics simulations (Poole et al, 1993).…”

Section: Introductionmentioning

confidence: 99%

On the heterogeneous character of water's amorphous polymorphism

2007

View full text Add to dashboard Cite

In this paper we report in situ small-angle neutron scattering results on the highdensity amorphous (HDA) and low-density amorphous (LDA) ice structures and on intermediate structures as found during the temperature-induced transformation of HDA into LDA. We show that the small-angle signal is characterized by two Q regimes featuring different properties [Q is the modulus of the scattering vector defined as Q ¼ ð4 = i Þ sinð Þ with being half the scattering angle and i the incident neutron wavelength]. The very low Q regime (< $ 5 Â 10 À2 Å À1 ) is dominated by a Porod-limit scattering. Its intensity reduces during the course of the HDA-to-LDA transformation following kinetics reminiscent of those observed in wide-angle diffraction experiments. The small-angle neutron scattering form factor in the intermediate regime of 5 Â 10 À2 < Q < 0:5 Å À1 for HDA and LDA features a rather flat plateau. However, the HDA signal shows an ascending intensity towards smaller Q marking this amorphous structure as heterogeneous. When following the HDAto-LDA transition, the form factor shows a pronounced transient excess in intensity marking all intermediate structures as strongly heterogeneous on a length scale of some nanometres.

show abstract

The puzzling behavior of water at very low temperature

Cited by 78 publications

References 60 publications

The puzzling unsolved mysteries of liquid water: Some recent progress

The puzzling unsolved mysteries of liquid water: Some recent progress

Pressure-induced transformations in computer simulations of glassy water

On the heterogeneous character of water's amorphous polymorphism

Contact Info

Product

Resources

About