Liquid stability in a model for ortho-terphenyl

Nave, E. La; Mossa, Stefano; Sciortino, Francesco; Tartaglia, P.

doi:10.1063/1.1650295

Cited by 11 publications

(14 citation statements)

References 54 publications

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“…Together with previous work [4,5,6,7], these results lend strong support to the scenario that the liquid-gas spinodal and the glass transition line should typically intersect at a finite low temperature. Unlike previous work, where the results were based either on simulations, or on assumed model energy landscapes, our calculations describe a realistic model glass former, whose properties are evaluated within a self-contained and accurate framework.…”

supporting

confidence: 83%

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The glass transition and liquid-gas spinodal boundaries of metastable liquids

Ashwin¹,

Menon²,

Sastry³

2006

Europhys. Lett.

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A liquid can exist under conditions of thermodynamic stability or metastability within boundaries defined by the liquid-gas spinodal and the glass transition line. The relationship between these boundaries has been investigated previously using computer simulations, the energy landscape formalism, and simplified model calculations. We calculate these stability boundaries semi-analytically for a model glass forming liquid, employing accurate liquid state theory and a first-principles approach to the glass transition. These boundaries intersect at a finite temperature, consistent with previous simulation-based studies.

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supporting

confidence: 83%

“…where S liq is the entropy of the liquid, and S glass (β) = 3N 2 (1+log(2π))− 1 2 < T r(log(βM )) >, (5) where M is the Hessian matrix of the form…”

mentioning

confidence: 99%

The glass transition and liquid-gas spinodal boundaries of metastable liquids

Ashwin¹,

Menon²,

Sastry³

2006

Europhys. Lett.

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“…The volume dependences of the landscape parameters have been studied numerically for the BMLJ [39], SPC/E [38] and LW-OTP [19,48] models. In the case of soft spheres (see equation (48)) the self-similar nature of the interaction potential fixes the volume dependence of the landscape parameters.…”

Section: Volume Dependence Of α E 0 σmentioning

confidence: 99%

Potential energy landscape description of supercooled liquids and glasses

Sciortino¹

2005

J. Stat. Mech.

241

312

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These notes review the potential energy landscape thermodynamic formalism and some of its recent applications to the study of supercooled glass forming liquids. They also review the techniques which have been recently developed to quantify the statistical properties of the landscape, i.e. the number and the distribution in energy of the local minima of the surface for bulk systems. A critical examination of the approximations involved in such a calculation and results for models of simple and molecular liquids are reported. Finally, these notes discuss how an equation of state, expressed only in terms of statistical properties of the landscape, can be derived and under which conditions such an equation of state can be generalized to describe out-of-equilibrium liquids.

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“…[28][29][30] However, the first report of the phenomenology discussed here is credited to LaViolette. 31 For systems with attractive interactions such as pure component 29,31 and binary 30,32 Lennard-Jones, orthoterphenyl, 33 alkanes, 34,35 molten zinc() bromide, 36 and SPC/E water, 15 the inherent structures generated along a liquid isotherm have an equation of state similar to curve (ii) in Figure 1. At low enough density the inherent structure equation of state extends to negative pressure, as the cohesive interactions among particles allow the system to support isotropic tension.…”

Section: Introductionmentioning

confidence: 96%

A cavitation transition in the energy landscape of simple cohesive liquids and glasses

Altabet

Stillinger

Debenedetti

2016

The Journal of Chemical Physics

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In particle systems with cohesive interactions, the pressure-density relationship of the mechanically stable inherent structures sampled along a liquid isotherm (i.e., the equation of state of an energy landscape) will display a minimum at the Sastry density ρ. The tensile limit at ρ is due to cavitation that occurs upon energy minimization, and previous characterizations of this behavior suggested that ρ is a spinodal-like limit that separates all homogeneous and fractured inherent structures. Here, we revisit the phenomenology of Sastry behavior and find that it is subject to considerable finite-size effects, and the development of the inherent structure equation of state with system size is consistent with the finite-size rounding of an athermal phase transition. What appears to be a continuous spinodal-like point at finite system sizes becomes discontinuous in the thermodynamic limit, indicating behavior akin to a phase transition. We also study cavitation in glassy packings subjected to athermal expansion. Many individual expansion trajectories averaged together produce a smooth equation of state, which we find also exhibits features of finite-size rounding, and the examples studied in this work give rise to a larger limiting tension than for the corresponding landscape equation of state.

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Liquid stability in a model for ortho-terphenyl

Cited by 11 publications

References 54 publications

The glass transition and liquid-gas spinodal boundaries of metastable liquids

The glass transition and liquid-gas spinodal boundaries of metastable liquids

Potential energy landscape description of supercooled liquids and glasses

A cavitation transition in the energy landscape of simple cohesive liquids and glasses

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