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Liquid-liquid phase transition and glass transition in a monoatomic model system.

Xu L, Buldyrev SV, Giovambattista N, Stanley HE - Int J Mol Sci (2010)

Bottom Line: We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions.This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition.Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

View Article: PubMed Central - PubMed

Affiliation: WPI Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.

ABSTRACT
We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

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The spherically-symmetric “two-scale” Jagla ramp potential. The two length scales of the Jagla potential are the hard core diameter r = a and the soft core diameter r = b. Here we treat the case with UR = 3.56U0, b = 1.72a, and a long range cutoff c = 3a.
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f1-ijms-11-05184: The spherically-symmetric “two-scale” Jagla ramp potential. The two length scales of the Jagla potential are the hard core diameter r = a and the soft core diameter r = b. Here we treat the case with UR = 3.56U0, b = 1.72a, and a long range cutoff c = 3a.

Mentions: One such a model is the spherically-symmetric two-scale Jagla potential with both replusive and attractive interactions [30,37–42]. In this review, we will show that the two-scale Jagla potential (Figure 1), with a choice of parameters that crystallization can be avoided, exhibits polyamorphism not only in the equilibrium liquid phase at high temperature [30], but also in the glass states at low temperature [43]. It has been suggested that such spherically-symmetric potentials provide a generic mechanism for LLPT [44–48], and have interested experimentalists to seek examples among the liquid metals [19]. For example, Stell and coworkers had identified Cesium and Cerium as candidate systems [49–52], and indeed irreversible density changes under high pressure in glassy metals containing a large mole fraction of Ce have subsequently been reported [19]. Thus, the Jagla potential provides an excellent example of a very simply constituted system that is a good glassformer and it is suitable for pursuing the study of glassforming ability, which is obviously a key issue in the science of bulk metallic glasses. This resulted in a unique system that has allowed us to study the relation between the GT and the LLPT, which might be useful for the prediction of the relations between high density and low density metallic liquid phases that might be found in future studies of cerium-rich bulk metallic glassformers.


Liquid-liquid phase transition and glass transition in a monoatomic model system.

Xu L, Buldyrev SV, Giovambattista N, Stanley HE - Int J Mol Sci (2010)

The spherically-symmetric “two-scale” Jagla ramp potential. The two length scales of the Jagla potential are the hard core diameter r = a and the soft core diameter r = b. Here we treat the case with UR = 3.56U0, b = 1.72a, and a long range cutoff c = 3a.
© Copyright Policy - open-access
Related In: Results  -  Collection

License 1 - License 2
Show All Figures
getmorefigures.php?uid=PMC3100843&req=5

f1-ijms-11-05184: The spherically-symmetric “two-scale” Jagla ramp potential. The two length scales of the Jagla potential are the hard core diameter r = a and the soft core diameter r = b. Here we treat the case with UR = 3.56U0, b = 1.72a, and a long range cutoff c = 3a.
Mentions: One such a model is the spherically-symmetric two-scale Jagla potential with both replusive and attractive interactions [30,37–42]. In this review, we will show that the two-scale Jagla potential (Figure 1), with a choice of parameters that crystallization can be avoided, exhibits polyamorphism not only in the equilibrium liquid phase at high temperature [30], but also in the glass states at low temperature [43]. It has been suggested that such spherically-symmetric potentials provide a generic mechanism for LLPT [44–48], and have interested experimentalists to seek examples among the liquid metals [19]. For example, Stell and coworkers had identified Cesium and Cerium as candidate systems [49–52], and indeed irreversible density changes under high pressure in glassy metals containing a large mole fraction of Ce have subsequently been reported [19]. Thus, the Jagla potential provides an excellent example of a very simply constituted system that is a good glassformer and it is suitable for pursuing the study of glassforming ability, which is obviously a key issue in the science of bulk metallic glasses. This resulted in a unique system that has allowed us to study the relation between the GT and the LLPT, which might be useful for the prediction of the relations between high density and low density metallic liquid phases that might be found in future studies of cerium-rich bulk metallic glassformers.

Bottom Line: We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions.This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition.Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

View Article: PubMed Central - PubMed

Affiliation: WPI Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.

ABSTRACT
We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

Show MeSH
Related in: MedlinePlus