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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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Related in: MedlinePlus

Demonstration of density minimum is affected by the glass transition along path β below Pc. For low pressures the temperature of minimum density is located in ergodic region, approaching to the temperature of maximum density (see inset). For relative high pressures below Pc, the density minima are preempted by glass transition, indicated by the same location of the density minimum along different β paths. Adapted from Reference [43].
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f8-ijms-11-05184: Demonstration of density minimum is affected by the glass transition along path β below Pc. For low pressures the temperature of minimum density is located in ergodic region, approaching to the temperature of maximum density (see inset). For relative high pressures below Pc, the density minima are preempted by glass transition, indicated by the same location of the density minimum along different β paths. Adapted from Reference [43].

Mentions: Another important question—especially relevant for liquids with density anomalies such as water, BeF2, Si, and SiO2—is how the anomalous thermal expansion behavior upon cooling below the temperature of maximum density Tmax in the supercooled liquid changes to “normal” behavior in the glass state. The display of a temperature of maximum density is a striking feature of the Jagla model, as described earlier [30,34,35]. What is more remarkable is the existence of the even rarer density minimum [43], which makes studies of the Jagla model useful for the understanding of the general relations between the density anomaly and LLPT. This feature, has been seen not only in experiment of confined water [26,27] and in simulation of bulk water [93,94] but also in supercooled Te, stable As2Te3 [95] and some Ge-Te alloys [96], and at the upper limit of experiments for BeF2 [89] and in silica [97]. In Reference[43], Xu et. al. showed how these features are unique to the low density polymorph and vary in a complex way with pressure. As shown in Figure 8, the density maximum is an equilibrium property, but the density minimum in the equilibrated liquid is only seen at the lowest pressures, in the temperature range between the Tg and the Tmax. At relatively higher pressures below the critical pressure Pc, the density minimum is preempted by the GT for the cooling rates applied. For slower cooling rates [43] the minimum would presumably continue to be seen as an equilibrium phenomenon.


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)

Demonstration of density minimum is affected by the glass transition along path β below Pc. For low pressures the temperature of minimum density is located in ergodic region, approaching to the temperature of maximum density (see inset). For relative high pressures below Pc, the density minima are preempted by glass transition, indicated by the same location of the density minimum along different β paths. Adapted from Reference [43].
© Copyright Policy - open-access
Related In: Results  -  Collection

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

f8-ijms-11-05184: Demonstration of density minimum is affected by the glass transition along path β below Pc. For low pressures the temperature of minimum density is located in ergodic region, approaching to the temperature of maximum density (see inset). For relative high pressures below Pc, the density minima are preempted by glass transition, indicated by the same location of the density minimum along different β paths. Adapted from Reference [43].
Mentions: Another important question—especially relevant for liquids with density anomalies such as water, BeF2, Si, and SiO2—is how the anomalous thermal expansion behavior upon cooling below the temperature of maximum density Tmax in the supercooled liquid changes to “normal” behavior in the glass state. The display of a temperature of maximum density is a striking feature of the Jagla model, as described earlier [30,34,35]. What is more remarkable is the existence of the even rarer density minimum [43], which makes studies of the Jagla model useful for the understanding of the general relations between the density anomaly and LLPT. This feature, has been seen not only in experiment of confined water [26,27] and in simulation of bulk water [93,94] but also in supercooled Te, stable As2Te3 [95] and some Ge-Te alloys [96], and at the upper limit of experiments for BeF2 [89] and in silica [97]. In Reference[43], Xu et. al. showed how these features are unique to the low density polymorph and vary in a complex way with pressure. As shown in Figure 8, the density maximum is an equilibrium property, but the density minimum in the equilibrated liquid is only seen at the lowest pressures, in the temperature range between the Tg and the Tmax. At relatively higher pressures below the critical pressure Pc, the density minimum is preempted by the GT for the cooling rates applied. For slower cooling rates [43] the minimum would presumably continue to be seen as an equilibrium phenomenon.

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