Polyamorphism and Liquid–Liquid Phase Transitions in Amorphous Silicon and Supercooled Al
 2
 O
 3
 –Y
 2
 O
 3
 Liquids

McMillan, Paul F.; Greaves, G.N.; Wilson, Mark; Wilding, Martin C.; Daisenberger, Dominik

doi:10.1002/9781118540350.ch12

Cited by 13 publications

(8 citation statements)

References 156 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Hence, characterizing water glass polymorphism may help to understand polyamorphism in other substances as well. 3,[68][69][70] In this work, we study the transformations exhibited by LDA and HDA when they are heated isobarically in a wide range of pressures. This work complements previous computational studies where we explored the interplay between the LLPT and glass transition in glassy water 37 as well as the LDA-HDA transformations induced by pressure.…”

Section: Introductionmentioning

confidence: 99%

Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

Chiu

Starr

Giovambattista

2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

Water exists in at least two families of glassy states, broadly categorized as the low-density (LDA) and high-density amorphous ice (HDA). Remarkably, LDA and HDA can be reversibly interconverted via appropriate thermodynamic paths, such as isothermal compression and isobaric heating, exhibiting first-order-like phase transitions. We perform out-of-equilibrium molecular dynamics simulations of glassy water using the ST2 model to study the evolution of LDA and HDA upon isobaric heating. Depending on pressure, glass-to-glass, glass-to-crystal, glass-to-vapor, as well as glass-to-liquid transformations are found. Specifically, heating LDA results in the following transformations, with increasing heating pressures: (i) LDA-to-vapor (sublimation), (ii) LDA-to-liquid (glass transition), (iii) LDA-to-HDA-to-liquid, (iv) LDA-to-HDA-to-liquid-to-crystal, and (v) LDAto-HDA-to-crystal. Similarly, heating HDA results in the following transformations, with decreasing heating pressures: (a) HDA-to-crystal, (b) HDA-to-liquid-to-crystal, (c) HDA-to-liquid (glass transition), (d) HDA-to-LDA-to-liquid, and (e) HDA-to-LDA-to-vapor. A more complex sequence may be possible using lower heating rates. For each of these transformations, we determine the corresponding transformation temperature as function of pressure, and provide a P-T "phase diagram" for glassy water based on isobaric heating. Our results for isobaric heating dovetail with the LDA-HDA transformations reported for ST2 glassy water based on isothermal compression/decompression processes [Chiu et al., J. Chem. Phys. 139, 184504 (2013)]. The resulting phase diagram is consistent with the liquid-liquid phase transition hypothesis. At the same time, the glass phase diagram is sensitive to sample preparation, such as heating or compression rates. Interestingly, at least for the rates explored, our results suggest that the LDA-to-liquid (HDA-to-liquid) and LDA-to-HDA (HDA-to-LDA) transformation lines on heating are related, both being associated with the limit of kinetic stability of LDA (HDA).

show abstract

Section: Introductionmentioning

confidence: 99%

Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

Chiu

Starr

Giovambattista

2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…Clear links should be possible given that the interactions in the different states are likely to be similar (in the absence of, for example, traversing a metal-insulator transition). Extensions of the phase diagram into the thermodynamically metastable regimes (for example, on supercooling) may uncover a richness of phase behaviour, showing distinct amorphous regions which differ in density and show welldefined phase boundaries 10 . A prevalent characteristic is a balance between forming relatively low density ("open") structures at low pressures and significantly higher density ("close-packed") structures at higher pressures.…”

mentioning

confidence: 99%

Liquid state anomalies and the relationship to the crystalline phase diagram

Fijan

Wilson

2019

Phys. Rev. E

Self Cite

View full text Add to dashboard Cite

A relationship between the observation of a density anomaly and the underlying crystalline phase diagram is demonstrated. The crystal phase diagram and temperature of maximum density (TMD) lines are calculated over a range of parameter space using a Stillinger-Weber potential. Relationships between the loci of density maxima in the P T plane for the liquid state and the underlying crystalline phase diagram are investigated. Two key potential parameters are systematically varied in order to control the balance between the model two-and three-body interaction terms, and the relative effects of varying the potential parameters analysed. The respective TMD lines diverge at extreme values with one set of lines showing a re-entrant behaviour. For each parameter set the TMD lines are extrapolated to T = 0K. The corresponding pressures are related to the crystalline phase diagram and are found to lie on or near specific crystal/crystal coexistence lines for a wide range of potential parameters. The density anomaly is observed to vanish corresponding to regions in the crystal phase diagram which lack crystal/crystal coexistence lines potentially offering a new interpretation for the emergence of anomalous behaviour.

show abstract

“…Many authors have pointed out that supercooled liquids such as water [47], metallic-glass-forming systems [48,49] and yttrium oxidealuminium oxide [50,51] can undergo a fragile-to-strong crossover on cooling. The existence of such a crossover is not only of fundamental interest but, as recently shown for Ag 5.5 In 6.5 Sb 59 Te 29 [52,53] and for Te 85 Ge 15 [54], it may help to improve data retention in non-volatile chalcogenide-based phase-change memory (PCM).…”

Section: Fragile-to-strong Crossovermentioning

confidence: 99%

Fast crystal growth in glass-forming liquids

Orava

Greer

2016

Journal of Non-Crystalline Solids

View full text Add to dashboard Cite

a b s t r a c tIn liquids of high glass-forming ability, in which crystal growth rates are low, the rates can be measured over the full range of supercooling from the liquidus temperature down to the glass transition. For systems of low glassforming ability, growth rates are readily measured at small supercooling and at very large supercooling around the glass-transition temperature, but it is difficult to acquire data over the full range of intermediate supercooling, especially at the maximum in growth rate. Data at intermediate supercoolings are however of considerable interest for understanding glass formation in such systems as pure metals and chalcogenides for phase-change data storage. We will review the methods emerging for making such measurements, and will note that the fragility of the liquid (including possible crossover from 'fragile' to 'strong' liquid behaviour on cooling) is an important part of understanding fast crystal growth. We also note that there are deficiencies in existing theories of fast crystal growth.

show abstract

Polyamorphism and Liquid–Liquid Phase Transitions in Amorphous Silicon and Supercooled Al ₂ O ₃ –Y ₂ O ₃ Liquids

Cited by 13 publications

References 156 publications

Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

Liquid state anomalies and the relationship to the crystalline phase diagram

Fast crystal growth in glass-forming liquids

Contact Info

Product

Resources

About

Polyamorphism and Liquid–Liquid Phase Transitions in Amorphous Silicon and Supercooled Al 2 O 3 –Y 2 O 3 Liquids

Cited by 13 publications

References 156 publications

Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

Liquid state anomalies and the relationship to the crystalline phase diagram

Fast crystal growth in glass-forming liquids

Contact Info

Product

Resources

About

Polyamorphism and Liquid–Liquid Phase Transitions in Amorphous Silicon and Supercooled Al ₂ O ₃ –Y ₂ O ₃ Liquids