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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

Illustration of the structural difference of the low density amorphous (LDA) solid and the high density amorphous (HDA) solid by the radial distribution function g(r). For LDA, there are more particles sitting near the soft-core distance; while for HDA, particles shift from the soft core distance (r/a = 1.72) to the hard core distance (r/a = 1.0), so the peak at r/a = 1.72 decreases while the peak at r/a = 1.0 increases. Adapted from Reference [43].
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f6-ijms-11-05184: Illustration of the structural difference of the low density amorphous (LDA) solid and the high density amorphous (HDA) solid by the radial distribution function g(r). For LDA, there are more particles sitting near the soft-core distance; while for HDA, particles shift from the soft core distance (r/a = 1.72) to the hard core distance (r/a = 1.0), so the peak at r/a = 1.72 decreases while the peak at r/a = 1.0 increases. Adapted from Reference [43].

Mentions: Figure 6 compares the radial distribution functions (RDF) of LDA and HDA obtained along P < Pc and P > Pc, respectively. Both RDFs are clearly different indicating that LDA and HDA are indeed distinct glass phases. For LDA, the majority of the particles are located around the soft-core distance, in the vicinity of the minimum of the pair potential (corresponding to the peak of the RDF at the soft-core distance r/a = 1.72 in Figure 6). For HDA, neighbors are observed at both the hard-core distance (r/a = 1) and the soft-core distance. The present results suggest that the presence of two scales in a pair interaction potential can be sufficient for a system to be a good glass former.


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)

Illustration of the structural difference of the low density amorphous (LDA) solid and the high density amorphous (HDA) solid by the radial distribution function g(r). For LDA, there are more particles sitting near the soft-core distance; while for HDA, particles shift from the soft core distance (r/a = 1.72) to the hard core distance (r/a = 1.0), so the peak at r/a = 1.72 decreases while the peak at r/a = 1.0 increases. 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

f6-ijms-11-05184: Illustration of the structural difference of the low density amorphous (LDA) solid and the high density amorphous (HDA) solid by the radial distribution function g(r). For LDA, there are more particles sitting near the soft-core distance; while for HDA, particles shift from the soft core distance (r/a = 1.72) to the hard core distance (r/a = 1.0), so the peak at r/a = 1.72 decreases while the peak at r/a = 1.0 increases. Adapted from Reference [43].
Mentions: Figure 6 compares the radial distribution functions (RDF) of LDA and HDA obtained along P < Pc and P > Pc, respectively. Both RDFs are clearly different indicating that LDA and HDA are indeed distinct glass phases. For LDA, the majority of the particles are located around the soft-core distance, in the vicinity of the minimum of the pair potential (corresponding to the peak of the RDF at the soft-core distance r/a = 1.72 in Figure 6). For HDA, neighbors are observed at both the hard-core distance (r/a = 1) and the soft-core distance. The present results suggest that the presence of two scales in a pair interaction potential can be sufficient for a system to be a good glass former.

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