Cage Effect, Local Anisotropies, and Dynamic Heterogeneities at the Glass Transition: A Computer Study of Hard Spheres

Doliwa, Burkhard; Heuer, Andreas

doi:10.1103/physrevlett.80.4915

Cited by 236 publications

(249 citation statements)

References 24 publications

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“…This interpre-tation is one form of the so-called "heterogenous" scenario for relaxation [6,[12][13][14][15][16][17]. A number of recent experiments [13][14][15] have shown that in liquids such as orthoterphenyl and polystyrene within 10 K of their glass transition temperature T g , subsets of molecules rotate slowly relative to the rest of the molecules on time scales long compared with collision times, but shorter than the relaxation time of density fluctuations.…”

Section: Introductionmentioning

confidence: 99%

“…As a consequence, computer simulations of supercooled liquids, in which this microscopic information is immediately available, are increasingly used to complement theoretical and experimental efforts. In particular, simulations in recent years have focused on the study of "dynamical heterogeneity" to understand the microscopic origin of slow dynamics and stretched exponential relaxation in glass-forming liquids [2][3][4][5][6].…”

Section: Introductionmentioning

confidence: 99%

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Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid

et al. 1999

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Using extensive molecular dynamics simulations of an equilibrium, glass-forming Lennard-Jones mixture, we characterize in detail the local atomic motions. We show that spatial correlations exist among particles undergoing extremely large ("mobile") or extremely small ("immobile") displacements over a suitably chosen time interval. The immobile particles form the cores of relatively compact clusters, while the mobile particles move cooperatively and form quasi-one-dimensional, string-like clusters. The strength and length scale of the correlations between mobile particles are found to grow strongly with decreasing temperature, and the mean cluster size appears to diverge at the mode-coupling critical temperature. We show that these correlations in the particle displacements are related to equilibrium fluctuations in the local potential energy and local composition.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid

et al. 1999

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“…We can reformulate this question and ask whether the relaxations are homogeneous or heterogeneous. According to some authors 11,12 the relaxations should be more homogeneous, in particular in the ␣ regime, whereas others [13][14][15][16][17][18][19][20][21] claim that the relaxations in amorphous or disordered materials are more heterogeneous.…”

Section: Introductionmentioning

confidence: 99%

Structure and relaxation in liquid and amorphous selenium

Caprion

Schober

2000

Phys. Rev. B

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We report a molecular dynamics simulation of selenium, described by a three-body interaction. The temperatures T g and T c and the structural properties are in agreement with experiment. The mean nearest neighbor coordination number is 2.1. A small prepeak at about 1 Å Ϫ1 can be explained in terms of void correlations. In the intermediate self-scattering function, i.e., the density fluctuation correlation, classical behavior, ␣ and ␤ regimes, is found. We also observe the plateau in the ␤ regime below T g . In a second step, we investigated the heterogeneous and/or homogeneous behavior of the relaxations. At both short and long times the relaxations are homogeneous ͑or weakly heterogeneous͒. In the intermediate time scale, lowering the temperature increases the heterogeneity. We connect these different domains to the vibrational ͑ballistic͒, ␤ and ␣ regimes. We have also shown that the increase in heterogeneity can be understood in terms of relaxations.

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“…We refer to a system as dynamically heterogeneous if it is possible to select a dynamically distinguishable subset of particles by experiment or computer simulation [20]. Simulations [21,22,23,24,25,26,27] and experiments [28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43] have demonstrated the cooperative and spatially heterogeneous nature of the liquid dynamics (for reviews of the experimental evidence for spatially heterogeneous dynamics, see, e. g., Refs. [44,45,46]).…”

Section: Introductionmentioning

confidence: 99%

Dynamical Heterogeneity and Jamming in Glass-Forming Liquids

Lacevic

Glotzer

2004

J. Phys. Chem. B

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The relationship between spatially heterogeneous dynamics (SHD) and jamming is studied in a glass-forming binary Lennard-Jones system via molecular dynamics simulations. It has been suggested by O'Hern et al. [1] that the probability distribution of interparticle forces P (F ) develops a peak at the glass transition temperature Tg, and that the large force inhomogeneities, responsible for structural arrest in granular materials, are related to dynamical heterogeneities in supercooled liquids that form glasses. It has been further suggested that "force chains" present in granular materials may exist in supercooled liquids, and may provide an order parameter for the glass transition. Our goal is to investigate the extent to which the forces experienced by particles in a glass-forming liquid are related to SHD, and compare these forces to those observed in granular materials and other glass-forming systems. Our results are summarized as follows. We find no peak in P (F ) at any temperature in our system, even below Tg. We also find that particles that have been localized for a long time are less likely to experience high relative force and that mobile particles experience higher relative forces at shorter time scales, indicating a correlation between pairwise forces and particle mobility. We construct force chains based on the magnitude of pairwise forces. We find that force chains constructed in this manner are composed of both localized and mobile particles, therefore there is no one-to-one correspondence between force chains as defined here and locally mobile or immobile regions of the liquid. We also find that force chains do not play the same role as force chains in granular materials, but may indicate a difference in the evolution of the local environment of particles with different mobility. We also discuss a possible relationship between force chains found here and the development of string-like motion found in other glass-forming liquids [2,3].

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Cage Effect, Local Anisotropies, and Dynamic Heterogeneities at the Glass Transition: A Computer Study of Hard Spheres

Cited by 236 publications

References 24 publications

Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid

Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid

Structure and relaxation in liquid and amorphous selenium

Dynamical Heterogeneity and Jamming in Glass-Forming Liquids

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