Phase behavior of a system of particles with core collapse

Jagla, E. A.

doi:10.1103/physreve.58.1478

Cited by 213 publications

(270 citation statements)

References 28 publications

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“…However, this is not a new observation, except for the connection to PCM phenomenology. The extraordinary parallel in physical behavior between water and the element tellurium in their supercooled liquid states was detailed in the T m -scaled plots of volume, heat capacity, and isothermal compressibility by Kanno et al [65] in 2001, and interpreted by one of us [66] as a consequence of each liquid being characterized by two different length scales -as in the Jagla model of anomalous liquids [67,68]. There are frequent references in the PCM literature to the two different Ge coordination states that might play an equivalent role.…”

Section: Discussionmentioning

confidence: 99%

Glass Transitions, Semiconductor-Metal Transitions, and Fragilities in Ge−V−Te ( V=As , Sb) Liquid Alloys: The Difference One Element Can Make

Wei¹,

Coleman²,

Lucas³

et al. 2017

Phys. Rev. Applied

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Glass transition temperatures (T g ) and liquid fragilities are measured along a line of constant Ge content in the system Ge-As-Te, and contrasted with the lack of glass-forming ability in the twin system Ge-Sb-Te at the same Ge content. The one composition established as free of crystal contamination in the latter system shows a behavior opposite to that of more covalent system.Comparison of T g vs bond density in the three systems Ge-As-chalcogen differing in chalcogen i.e. S, Se, or Te, shows that as the chalcogen becomes more metallic, i.e. in the order S = 2.3.When the more metallic Sb replaces As at greater than 2.3, incipient metallicity rather than directional bond covalency apparently gains control of the physics. This leads us to an examination of the electronic conductivity and, then, semiconductor-to-metal (SC-M) transitions, with their associated thermodynamic manifestations, in relevant liquid alloys. The thermodynamic components, as seen previously, control liquid fragility and cause fragile-tostrong transitions during cooling. We tentatively conclude that liquid state behavior in phase change materials (PCMs) is controlled by liquid-liquid (SC-M) transitions that have become submerged below the liquidus surface. In the case of the Ge-Te binary, a crude extrapolation to GeTe stoichiometry indicates that the SC-M transition lies about 20% below the melting point, suggesting a parallel with the intensely researched "hidden liquid-liquid (LL) transition", in supercooled water. In the water case, superfast crystallization initiates in the high fragility domain some 4% above the T LL which is located at ~15% below the (ambient pressure) melting point.

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Section: Discussionmentioning

confidence: 99%

Glass Transitions, Semiconductor-Metal Transitions, and Fragilities in Ge−V−Te ( V=As , Sb) Liquid Alloys: The Difference One Element Can Make

Wei¹,

Coleman²,

Lucas³

et al. 2017

Phys. Rev. Applied

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“…These potentials exhibit a repulsive core with a softening region with a shoulder or a ramp [1][2][3] which are analytically and computationally tractable while being capable of retaining the qualitative features of the real fluid systems. Furthermore, Debenedetti and collaborators 4 using thermodynamic arguments showed that the isobaric thermal expansion coefficient (α) of these potentials might have an anomalous negative value and consequently a region where density increases with temperature.…”

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confidence: 99%

Multiple liquid-liquid critical points and density anomaly in core-softened potentials

2013

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The relation between liquid-liquid phase transitions and waterlike density anomalies in coresoftened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with fermi-like potential, the latter by molecular dynamics. Both systems were shown to present three liquid phases, two liquid-liquid phase transitions closely connected to two distinct regions of anomalous density increase. We propose that an oscillatory behavior observed on the thermal expansion coefficient as a function of pressure can be used as a signature of the connection between liquid-liquid phase and density.PACS numbers: 61.20. Gy, The phase behavior of single component systems as particles interacting via the o-called core-softened (CS) potentials has received attention since the pioneering work of Stell and Hemmer proposing the possibility of a second critical point in addition to the usual liquidgas critical point 1 . These potentials exhibit a repulsive core with a softening region with a shoulder or a ramp 1-3 which are analytically and computationally tractable while being capable of retaining the qualitative features of the real fluid systems. Furthermore, Debenedetti and collaborators 4 using thermodynamic arguments showed that the isobaric thermal expansion coefficient (α) of these potentials might have an anomalous negative value and consequently a region where density increases with temperature. Since for high temperatures density decreases with temperature these potentials can exhibit a temperature of maximum density (TMD) connecting the two regions.The thermodynamic anomalies predicted by these models occur in liquids such as Te 5 , Ga, Bi 6 , S 7,8 , liquid water 9 , and Ge 15 Te 85 10 , and were found in simulations for silica 11,12 , silicon 13 , and BeF 2 11 . In addition experiments in phosphorous indicate the presence of a liquidliquid phase transition 14 and similar transitions were observed by simulations in models of silica 15 , silicon 13 and liquid water 16 .In the particular case of water the hypothesis of the existence of two liquid phases has been indirectly supported by experimental results in confined systems 17 . In spite of the limit of 235 K below which water cannot be found in the liquid phase without crystallization, two amorphous phases, a low density amorphous phase and a high density amorphous phase, were observed at much lower temperatures and their relation to a metastable liquidliquid phase transition was argued 18 . More recently a third amorphous phase, the very high density amorphous phase, has been observed 19 what suggests the possibility of the existence of the very high density liquid phase.Therefore the issue of a liquid-liquid phase transition and its connection with the existence of a region in the pressure-temperature phase diagram where the density decreases with the decrease of temperature is itself an interesting topic. It is accepted that the presence of two accessible length scales in the potential allow for the system to ...

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“…Moreover, the disk and the stripe phases occur in both the liquid and the solid intra-cluster order 5 [figure] [5][]5 reproduces many features of the phase diagram obtained using a more complete treatment of the thermodynamics of a hard-core/square-shoulder system 5 and it bears some similarity to the phase diagram of the hard-core/linear-ramp system. 19 Although the width of the ramp studied in Ref. 19 is too narrow for fully developed cluster phases, the non-close-packed lattices occurring in the phase diagram are very reminiscent of the cluster morphologies discussed here, and the phase diagram itself has roughly the same multidome shape as that in [figure] [5][]5.…”

Section: Discussionmentioning

confidence: 83%

From Lumps to Lattices: Crystallized Clusters Made Simple

Ziherl

Kamien

2011

J. Phys. Chem. B

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Using a minimal model based on the continuum theory of a 2D hard-core/square-shoulder ensemble, we reinterpret the main features of cluster mesophases formed by colloids with soft shoulder-like repulsive interactions. We rederive the lattice spacing, the binding energy and the phase diagram. We also extend the clustering criterion [Likos, C. N., et al. Phys. Rev. E, 2001, 63, 031206; Glaser, M. A., et al. EPL 2007, 78, 46004] to include the effect of the hard cores, which precludes the formation of clusters at small densities.

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Phase behavior of a system of particles with core collapse

Cited by 213 publications

References 28 publications

Glass Transitions, Semiconductor-Metal Transitions, and Fragilities in Ge−V−Te ( V=As , Sb) Liquid Alloys: The Difference One Element Can Make

Glass Transitions, Semiconductor-Metal Transitions, and Fragilities in Ge−V−Te ( V=As , Sb) Liquid Alloys: The Difference One Element Can Make

Multiple liquid-liquid critical points and density anomaly in core-softened potentials

From Lumps to Lattices: Crystallized Clusters Made Simple

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