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1.
J Chem Phys ; 159(4)2023 Jul 28.
Artigo em Inglês | MEDLINE | ID: mdl-37503851

RESUMO

Amorphous solids, such as glasses and gels, arise as the asymptotic limit of non-equilibrium and irreversible relaxation aging processes. These amorphous solids form when the system is suddenly and deeply quenched in the dynamic arrest region. We use the non-equilibrium self-consistent generalized Langevin equation (NE-SCGLE) theory to investigate the formation of such structures via arrested spinodal decomposition in the screened symmetric restricted primitive model. We propose a direct correlation function that allows us to derive an expression for the functional derivative of the chemical potential, which serves as the necessary input in the NE-SCGLE theory. By analyzing the asymptotic localization length and the asymptotic characteristic length, we identify different classes of dynamic arrest states as a function of the density and the final quench temperature. The system features simultaneously attractive and repulsive interactions, resulting in different arrested regions in the non-equilibrium phase diagram for a given screened parameter: (i) ionic glasses, (ii) electrostatic gels, and (iii) attractive glasses. Finally, by collapsing the asymptotic effective structure factors at a typical fractal dimension of df = 3, we confirm the formation of gels slightly above the glass-gel transition in the arrested phase diagram.

2.
Artigo em Inglês | MEDLINE | ID: mdl-24229166

RESUMO

We perform systematic simulation experiments on model systems with soft-sphere repulsive interactions to test the predicted dynamic equivalence between soft-sphere liquids with similar static structure. For this we compare the simulated dynamics (mean squared displacement, intermediate scattering function, α-relaxation time, etc.) of different soft-sphere systems, between them and with the hard-sphere liquid. We then show that the referred dynamic equivalence does not depend on the (Newtonian or Brownian) nature of the microscopic laws of motion of the constituent particles, and hence, applies independently to colloidal and to atomic simple liquids. Finally, we verify another more recently proposed dynamic equivalence, this time between the long-time dynamics of an atomic liquid and its corresponding Brownian fluid (i.e., the Brownian system with the same interaction potential).

3.
J Chem Phys ; 135(1): 014504, 2011 Jul 07.
Artigo em Inglês | MEDLINE | ID: mdl-21744907

RESUMO

The generalized mean spherical approximation of the structural properties of the binary charge-symmetric fluid of screened charged hard-spheres of the same diameter, i.e., the screened restricted primitive model, is extended to include binary charge-asymmetric and multi-component fluids. Molecular dynamics simulation data are generated to assess the accuracy of the corresponding theoretical predictions.

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