Ultrastable glasses from in silico vapour deposition

Singh, Sadanand; Ediger, M. D.; Pablo, Juan J. de

doi:10.1038/nmat3521

Cited by 241 publications

(252 citation statements)

References 33 publications

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“…The studies that have most carefully examined this regime have thus relied on alternative preparation schemes. In simulations, non-local Monte Carlo sampling has been used to achieve equilibration at densities otherwise unreachable (82,73); in experiments, vapor deposition has been used to generate ultrastable glasses (83). Although the details vary, the key result is that both schemes give access to equilibrium glasses for which τα τexp τ β .…”

Section: Gardner Transition and Marginal Glass In Finite Dimensionsmentioning

confidence: 99%

Glass and Jamming Transitions: From Exact Results to Finite-Dimensional Descriptions

Charbonneau

Kurchan

Parisi

et al. 2017

Annu. Rev. Condens. Matter Phys.

299

421

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Despite decades of work, gaining a first-principle understanding of amorphous materials remains an extremely challenging problem. However, recent theoretical breakthroughs have led to the formulation of an exact solution of a microscopic model in the mean-field limit of infinite spatial dimension, and numerical simulations have remarkably confirmed the dimensional robustness of some of the predictions. This review describes these latest advances. More specifically, we consider the dynamical and thermodynamic descriptions of hard spheres around the dynamical, Gardner and jamming transitions. Comparing meanfield predictions with the finite-dimensional simulations, we identify robust aspects of the theory and uncover its more sensitive features. We conclude with a brief overview of ongoing research.

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Section: Gardner Transition and Marginal Glass In Finite Dimensionsmentioning

confidence: 99%

Glass and Jamming Transitions: From Exact Results to Finite-Dimensional Descriptions

Charbonneau

Kurchan

Parisi

et al. 2017

Annu. Rev. Condens. Matter Phys.

299

421

View full text Add to dashboard Cite

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“…This includes the Adam-Gibbs derivation of the structural relaxation [7,8] built on the thermodynamic notion of the configurational entropy [9] -, the mode-coupling theory [10] and extensions [11], the random first-order transition theory (RFOT) [12], the frustrationbased approach [13], as well as the so-called elastic models [14,15]. The search of a link between structural ordering and slow dynamics motivated several studies in liquids [16][17][18][19], colloids [20][21][22] and polymeric systems [20,[23][24][25][26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Cage rattling does not correlate with the local geometry in molecular liquids

Bernini

Puosi

Leporini

2015

Journal of Non-Crystalline Solids

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Molecular-dynamics simulations of a liquid of short linear molecules have been performed to investigate the correlation between the particle dynamics in the cage of the neighbors and the local geometry. The latter is characterized in terms of the size and the asphericity of the Voronoi polyhedra. The correlation is found to be poor. In particular, in spite of the different Voronoi volume around the end and the inner monomers of a molecule, all the monomers exhibit coinciding displacement distribution when they are caged (as well as at longer times during the structural relaxation). It is concluded that the fast dynamics during the cage trapping is a non-local collective process involving monomers beyond the nearest neighbours.PACS numbers:

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“…It has been shown that the boson peak frequency and low-frequency quasilocalization affects the stability of glasses subject to excitations [23][24][25]: the glass is more stable with higher boson peak frequency and weaker quasilocalization [larger p(ω)]. Figure 2 indicates that both pinning protocols stabilize the glass by increasing the boson peak frequency.…”

mentioning

confidence: 99%

Order parameter for structural heterogeneity in disordered solids

Tong

2014

Phys. Rev. E

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We construct a new order parameter from the normal modes of vibration, based on the consideration of energy equipartition, to quantify the structural heterogeneity in disordered solids. The order parameter exhibits strong spatial correlations with low-temperature single particle dynamics and local structural entropy. To characterize the role of particles with the most defective local structures identified by the order parameter, we pin them and study how properties of disordered solids respond to the pinning. It turns out that these particles are responsible to the quasilocalized low-frequency vibration, instability, softening, and nonaffinity of disordered solids.PACS numbers: 63.50. Lm,61.43.Bn, The nature of disordered solids, e.g. glasses and sandpiles, remains elusive and a major challenge to condensed matter physics [1][2][3]. Compared to crystalline solids, the absence of long-range structural order makes it difficult to interpret properties of disordered solids analytically. What makes it more difficult is the spatial heterogeneity of the structural disorder. It has been evidenced that the heterogeneous disorder greatly contributes to abnormal properties of disordered materials, e.g. the anomalous low-frequency excitations and consequent unusual thermal properties [4], heterogeneous mechanical response to perturbations [5][6][7], and dynamical heterogeneity of supercooled liquids [8][9][10][11]. Therefore, how to correctly describe the heterogeneous disorder is the key to develop the theory of disordered solids.For crystals, it has been well-known that dislocations are triggers of the instability, which have lower bond orientational order than perfect lattice sites and can thus be easily identified. The bond orientational order has been applied to identify defective spots in weakly disordered solids [10][11][12][13]. However, this approach fails to describe the structural heterogeneity of strongly disordered solids, e.g. systems with large particle size dispersity, in which the locally favored geometric structure is no longer a perfect crystal [11,13]. An alternate order parameter is thus needed to pick out "defective" structures in disordered solids, which must capture the heterogeneous dynamics correctly and be responsible to the special properties of disordered solids.Inspired by recent observations that low-frequency quasilocalized modes of vibration are correlated with particle rearrangements in disordered systems [9, 14-17], we construct an order parameter Ψ at single particle level from normal modes of vibration, based on the assumption of energy equipartition. This new order parameter is validated by showing excellent spatial correlations with low-temperature dynamics and structural entropy. In order to figure out the role of particles with the largest Ψ, i.e. particles with the most defective local structures, we measure the system response to the pinning of these particles. Interestingly, the pinning remarkably eliminates the low-frequency quasilocalized modes, strengthens the system stability ...

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Ultrastable glasses from in silico vapour deposition

Cited by 241 publications

References 33 publications

Glass and Jamming Transitions: From Exact Results to Finite-Dimensional Descriptions

Glass and Jamming Transitions: From Exact Results to Finite-Dimensional Descriptions

Cage rattling does not correlate with the local geometry in molecular liquids

Order parameter for structural heterogeneity in disordered solids

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