scholarly journals Thermodynamical Liquid-Glass Transition in a Lennard-Jones Binary Mixture

2000 ◽  
Vol 84 (2) ◽  
pp. 306-309 ◽  
Author(s):  
Barbara Coluzzi ◽  
Giorgio Parisi ◽  
Paolo Verrocchio
Keyword(s):  
Glass Transition ◽  
Binary Mixture ◽  
Liquid Glass ◽  
Lennard Jones

scholarly journals Lennard-Jones binary mixture: A thermodynamical approach to glass transition

2000 ◽  
Vol 112 (6) ◽  
pp. 2933-2944 ◽  
Author(s):  
Barbara Coluzzi ◽  
Giorgio Parisi ◽  
Paolo Verrocchio
Keyword(s):  
Glass Transition ◽  
Binary Mixture ◽  
Lennard Jones

Theoretical scheme for the study of thermodynamic and transport properties of simple fluids at the liquid-glass transition line.

2002 ◽  
Vol 754 ◽  
Author(s):  
M. Robles ◽  
L. I. Uruchurtu ◽  
M. López de Haro
Keyword(s):  
Perturbation Theory ◽  
Glass Transition ◽  
Transport Properties ◽  
Hard Sphere ◽  
Liquid Glass ◽  
Transition Line ◽  
Simple Fluids ◽  
Lennard Jones ◽  
Theoretical Scheme ◽  
Thermodynamic And Transport Properties

ABSTRACTIn this work we present a theoretical scheme to study the thermodynamic and transport properties of simple fluids at the liquid-glass transition line. This scheme makes use of a recent reformulation of the classical perturbation theory of liquids [M. Robles and M. López de Haro, Phys. Chem. Chem. Phys. 3, 5528 (2001)]. Using the hard-sphere fluid as a reference system our approach requires the choice of an equation of state for the hard-sphere system and a criterion to determine an effective (density and temperature dependent) diameter. Selecting the diameter in the same way as in the Mansoori-Canfield /Rasaiah-Stell variational perturbation theory and two different equations of state for the hard-sphere system, the liquid-glass transition line in the density vs. temperature plane for a Lennard-Jones fluid derived with our approach is shown to be in very good agreement with recent numerical simulations. The transition line in the pressure vs density plane and the value of the transport coefficients in the vicinity of the liquid-glass transition for the Lennard-Jones fluid are also examined.

Glass transition in confinement: a Lennard–Jones binary mixture study

2005 ◽  
Vol 169 (1-3) ◽  
pp. 214-217 ◽  
Author(s):  
Paola Gallo ◽  
Andrea Attili ◽  
Mauro Rovere
Keyword(s):  
Glass Transition ◽  
Binary Mixture ◽  
Lennard Jones

Slow Dynamics Due to the Metal-Nonmetal Transition in Liquids

2003 ◽  
Vol 217 (7) ◽  
pp. 803-816 ◽  
Author(s):  
Makoto Yao ◽  
Hirotaka Kohno ◽  
Hiroaki Kajikawa
Keyword(s):  
Relaxation Time ◽  
Glass Transition ◽  
Liquid Glass ◽  
Sound Attenuation ◽  
Slow Dynamics ◽  
Anomalous Increase ◽  
Relaxation Strength ◽  
Transition Range ◽  
Liquid Dynamics ◽  
Nonmetal Transition

AbstractIt is well known that the liquid dynamics slows down on approaching the liquid-gas critical point or the liquid-glass transition. Recently we have found by the sound attenuation measurements that the metal-nonmetal (M-NM) transition also induces slow dynamics. In the M-NM transition range of expanded liquid Hg, we have observed anomalous increase in the sound attenuation due to the structural relaxation process. Assuming a simple Debye-type relaxation, we have estimated that the relaxation time should be of the order of nanoseconds and revealed that the relaxation strength has a broad maximum in the M-NM transition range. Moreover, two types of anomalies have been observed also in the semiconductor-metal (S-M) transition range of liquid Te-Se mixtures. We present the recent experimental results of the sound attenuation measurements and discuss briefly the mechanisms of the slow dynamics in the metal-nonmetal transition range of liquids.

Proposal for a material with negative thermal expansion

2016 ◽  
Vol 30 (32) ◽  
pp. 1650238
Author(s):  
Mikrajuddin Abdullah
Keyword(s):  
Thermal Expansion ◽  
Glass Transition ◽  
Transition Temperature ◽  
Metal Organic Framework ◽  
Negative Thermal Expansion ◽  
Lennard Jones ◽  
Model Predictions ◽  
Metal Organic ◽  
Organic Framework

I propose a model of a material that exhibits negative thermal expansion (NTE) properties and criteria for the occurrence of linear and volumetric NTE. I derived the criteria for an arbitrary force between rigid units in the material. These criteria are also discussed specifically for the Lennard–Jones (6–12) potential and in more detail for metal–organic framework (MOF) materials comprising rigid units connected by organic linkers. Qualitatively, the model predictions can explain some observed results. Surprisingly, the model can produce equations for the transition temperature from NTE to positive thermal expansion (PTE), [Formula: see text] K, which is exactly the same as the temperature at which the glass transition begins to occur in most polymers, i.e., [Formula: see text] K.

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