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Journal of Chemical Physics / Volume 125 / Issue 6 / ARTICLES / Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation

J. Chem. Phys. 125, 064503 (2006); http://dx.doi.org/10.1063/1.2238858 (14 pages)

On the role of frustration on the glass transition and polyamorphism of mesoscopically heterophase liquids

A. S. Bakai

National Scientific Center “Kharkiv Institute of Physics and Technology,” Akademichna Street 1, 61108 Kharkiv, Ukraine

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(Received 21 March 2006; accepted 30 June 2006; published online 8 August 2006)

The model of heterophase fluctuations is developed accounting frustration of the mesoscopic solidlike fluctuons. Within the framework of this model, the glass transition and polyamorphous transformations are considered. It is shown that the frustration increases the temperature range in which the heterophase liquid state exists. the upper and lower boundaries of this temperature range are determined. These boundaries separate different phase states—amorphous solid, heterophase liquid, and fluid phases. Polyamorphous liquid-liquid transitions in the liquid are investigated. Frustration can call forth continuous fluid-solid phase transformation avoiding the first- or second-order phase transition. Conditions under which the first-order phase transition fraction takes place are formulated. Two scenarios of the first-order liquid-liquid polyamorphous transformation are described. As an example the glacial phase formation and the first-order liquid-liquid phase transition in triphenyl phosphate are considered and discussed. Impact of frustration on the liquid crystallization and crystallinity of the glassy state is studied.

© 2006 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. HETEROPHASE FLUCTUATIONS AND FLUCTUONS
  3. THE THEORETICAL MODEL
  4. IMPACT OF FRUSTRATION ON THE PHASE TRANSFORMATIONS AND GLASS TRANSITION
    1. The solid-fluid equilibrium and phase transformations with m = 1
    2. Equations of equilibrium of liquid with two types of the solidlike fluctuons, m = 2
    3. Polyamorphism of the mesoscopically heterophase liquid with two types of the solidlike fluctuons, m = 2
    4. An example: The liquid-liquid phase transition and glacial phase of triphenyl phosphite (TPP)
    5. Crystallization of the liquid and crystallinity of glass
  5. DISCUSSION
  6. CONCLUSIONS

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KEYWORDS and PACS

Keywords

glass transition, liquid-liquid transformations, crystallisation, fluctuations, amorphous state, polymorphism, polymorphic transformations

PACS

  • 64.70.P-

    Glass transitions of specific systems

  • 64.70.Q-

    Theory and modeling of the glass transition

  • 64.70.Ja

    Liquid-liquid transitions

  • 61.50.Ks

    Crystallographic aspects of phase transformations; pressure effects

  • 81.10.Aj

    Theory and models of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.2238858

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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