Elastic Softening of Amorphous H2O Network prior to the hda-lda Transition in Amorphous State.

Бражкин, В. В.; Gromnitskaya, E. L.; Stal’gorova, O. V.; Lyapin, A. G.

doi:10.4131/jshpreview.7.1129

Cited by 22 publications

(12 citation statements)

References 2 publications

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“…A firstorder transition between two liquids of different densities [2] is consistent with experimental data for a variety of materials [3,4], including singlecomponent systems such as water [5][6][7][8], silica [9] and carbon [10]. Molecular dynamics simulations of very specific models for supercooled water [2,11], liquid carbon [12] and supercooled silica [13], predict a LDL-HDL critical point, but a coherent and general interpretation of the LDL-HDL transition is lacking.…”

supporting

confidence: 63%

Generic mechanism for generating a liquid–liquid phase transition

Franzese

Malescio

Skibinsky

et al. 2001

Nature

381

326

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Recent experimental results [1] indicate that phosphorus, a single-component system, can have two liquid phases: a high-density liquid (HDL) and a low-density liquid (LDL) phase. A firstorder transition between two liquids of different densities [2] is consistent with experimental data for a variety of materials [3,4], including singlecomponent systems such as water [5][6][7][8], silica [9] and carbon [10]. Molecular dynamics simulations of very specific models for supercooled water [2,11], liquid carbon [12] and supercooled silica [13], predict a LDL-HDL critical point, but a coherent and general interpretation of the LDL-HDL transition is lacking. Here we show that the presence of a LDL and a HDL can be directly related to an interaction potential with an attractive part and two characteristic short-range repulsive distances. This kind of interaction is common to other single-component materials in the liquid state (in particular liquid metals [14-21,2]), and such potentials are often used to decribe systems that exhibit a density anomaly [2]. However, our results show that the LDL and HDL phases can occur in systems with no density anomaly. Our results therefore present an experimental challenge to uncover a liquid-liquid transition in systems like liquid metals, regardless of the presence of the density anomaly.Several explanations have been developed to understand the liquid-liquid phase transition. For example, the two-liquid models [4] assume that liquids at high pressure are a mixture of two liquid phases whose relative concentration depends on external parameters. Other explanations for the liquid-liquid phase transition assume an anisotropic potential [2,[11][12][13]. Here we shall see that liquid-liquid phase transition phenomena can arise solely from an isotropic pair interaction potential with two characteristic lengths.For molecular liquid phosphorus P 4 (as for water), a tetrahedral open structure is preferred at low pressures P and low temperatures T , while a denser structure is favored at high P and high T [1,6,8]. The existence of these two structures with different densities suggests a pair interaction with two characteristic distances. The first distance can be associated with the hard-core exclusion between two particles and the second distance with a weak repulsion (soft-core), which can be overcome at large pressure. Here we will use a generic three dimensional (3D) model composed of particles interacting via an isotropic soft-core pair potential. Such isotropic potentials can be regarded as resulting from an average over the angular part of more realistic potentials, and are often used as a first approximation to understand the qualitative behavior of real systems [14][15][16][17][18][19][20][21][22]2]. For Ce and Cs, Stell and Hemmer proposed a potential with nearest-neighbor repulsion and a weak long-range attraction [15]. By means of an exact analysis in 1D, they found two critical points, with the high-density critical point interpreted as a solid-solid transition. Then analytic calc...

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supporting

confidence: 63%

Generic mechanism for generating a liquid–liquid phase transition

Franzese

Malescio

Skibinsky

et al. 2001

Nature

381

326

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“…For example, the shear modulus of LDA decreases on compression, jumps discontinuously at the LDA ! HDA transition, and then increases with further compression 28 . Therefore, the transformation between LDA and HDA appears to be a ®rst-order transition between two different metastable amorphous`phases', rather than a relaxation phenomenon in which an unstable amorphous structure changes continuously from LDA to HDA.…”

mentioning

confidence: 93%

The relationship between liquid, supercooled and glassy water

Mishima

Stanley

1998

Nature

1,781

1,608

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“…Later on it was discovered that many other substances also demonstrate similar behavior. Some typical examples are silica, silicon, phosphorus and many others [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Inversion of sequence of diffusion and density anomalies in core-softened systems

Fomin

Tsiok

Ryzhov

2011

The Journal of Chemical Physics

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In this paper we present a simulation study of water-like anomalies in core-softened system introduced in our previous publications. We investigate the anomalous regions for a system with the same functional form of the potential but with different parameters and show that the order of the region of anomalous diffusion and the region of density anomaly is inverted with increasing the width of the repulsive shoulder.

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Elastic Softening of Amorphous H2O Network prior to the hda-lda Transition in Amorphous State.

Abstract: Elastic properties of different ice phases were studied in the low-temperature-high-pressure region (77 Show more

Cited by 22 publications

References 2 publications

Generic mechanism for generating a liquid–liquid phase transition

Generic mechanism for generating a liquid–liquid phase transition

The relationship between liquid, supercooled and glassy water

Inversion of sequence of diffusion and density anomalies in core-softened systems

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