The hard-sphere glass: metastability versus density of random close packing

Baus, Marc; Colot, Jean-Louis

doi:10.1088/0022-3719/19/7/001

Cited by 39 publications

(41 citation statements)

References 9 publications

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“…The key result of this study is the observation of a free energy minimum where the density function corresponds to the small a region. This minimum is seen apart from the usual high a minimum, as reported in the earlier works [13,15,16].…”

supporting

confidence: 75%

Heterogeneities in Supercooled Liquids: A Density-Functional Study

Kaur

Das

2001

Phys. Rev. Lett.

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A metastable state, characterized by a low degree of mass localization, is identified using density-functional theory (DFT). This free energy minimum, located through the proper evaluation of competing terms in the free energy functional, is independent of the specific form of the DFT used. Computer simulation results on particle motion indicate that this heterogeneous state corresponds to the deeply supercooled state.

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supporting

confidence: 75%

Heterogeneities in Supercooled Liquids: A Density-Functional Study

Kaur

Das

2001

Phys. Rev. Lett.

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“…In earlier calculations the random closed packed structure generated through Bennett's algorithm [33] was used. The g(R) giving the distribution of particles at a given value of η was found using an ad hoc scaling relation [34].…”

Section: Amorphous Structurementioning

confidence: 99%

Free-energy functional for freezing transitions: Hard-sphere systems freezing into crystalline and amorphous structures

2011

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A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous structures. The freezing parameters for fluid-crystal transition have been found to be in very good agreement with the results found from simulations.We considered amorphous structures found from the molecular dynamics simulations at packing fractions η lower than the glass close packing fraction η J and investigated their stability compared to that of a homogeneous fluid. The existence of free-energy minimum corresponding to a density distribution of overlapping Gaussians centered around an amorphous lattice depicts the deeply supercooled state with a heterogeneous density profile.

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“…Wolynes and coworkers [11][12][13] developed a successful model of hardsphere glass formation based on the idea that the glass may be viewed as a system that is "frozen" onto a (random close-packed) nonperiodic lattice. This approach is based on the DFT theory for crystallization [1] and was followed up by a number of other investigations [14][15][16][17][18][19][20][21] extending and applying the method. All of these studies show that the free-energy landscape may exhibit minima corresponding to the particles becoming localized (trapped) on a nonperiodic lattice.…”

Section: Introductionmentioning

confidence: 99%

Solidification in soft-core fluids: Disordered solids from fast solidification fronts

et al. 2014

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Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid of soft-core particles. We find that solidification fronts can advance via two different mechanisms, depending on the depth of the quench. For shallow quenches, the front propagation is via a nonlinear mechanism. For deep quenches, front propagation is governed by a linear mechanism and in this regime we are able to determine the front speed via a marginal stability analysis. We find that the density modulations generated behind the advancing front have a characteristic scale that differs from the wavelength of the density modulation in thermodynamic equilibrium, i.e., the spacing between the crystal planes in an equilibrium crystal. This leads to the subsequent development of disorder in the solids that are formed. For the onecomponent fluid, the particles are able to rearrange to form a well-ordered crystal, with few defects. However, solidification fronts in a binary mixture exhibiting crystalline phases with square and hexagonal ordering generate solids that are unable to rearrange after the passage of the solidification front and a significant amount of disorder remains in the system.

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The hard-sphere glass: metastability versus density of random close packing

Cited by 39 publications

References 9 publications

Heterogeneities in Supercooled Liquids: A Density-Functional Study

Heterogeneities in Supercooled Liquids: A Density-Functional Study

Free-energy functional for freezing transitions: Hard-sphere systems freezing into crystalline and amorphous structures

Solidification in soft-core fluids: Disordered solids from fast solidification fronts

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