We combine the swap Monte Carlo algorithm to long multi-CPU molecular dynamics simulations analyse equilibrium relaxation of model supercooled liquids over a time window covering ten orders magnitude for temperatures down experimental glass transition temperature $T_g$. The analysis \rev{several} correlation functions coupled spatio-temporal resolution particle motion allow us elucidate nature in deeply liquids. find that structural starts at early times rare localised regions characterised...

The configurational entropy is one of the most important thermodynamic quantities characterizing supercooled liquids approaching glass transition. Despite decades experimental, theoretical, and computational investigation, a widely accepted definition missing, its quantitative characterization remains fraught with difficulties, misconceptions, paradoxes, physical relevance vividly debated. Motivated by recent progress, we offer pedagogical perspective on in glass-forming liquids. We first...

Marginally stable solids have peculiar physical properties that were first analyzed in the context of jamming transition. We theoretically investigate existence marginal stability a prototypical model for structural glass formers, combining analytical calculations infinite dimensions to computer simulations three dimensions. While mean-field theory predicts Gardner phase transition towards marginally at low temperatures, show no hint diverging time scales or length scales, but reveal instead...

We perform stringent tests of thermodynamic theories the glass transition over experimentally relevant temperature regime for several simulated glass-formers. The swap Monte Carlo algorithm is used to estimate configurational entropy and static point-to-set lengthscale, careful extrapolations are relaxation times. first quantify relation between lengthscale in two three dimensions. then show that Adam-Gibbs generally violated models time window. Collecting experimental data supercooled...

Amorphous solids exhibit quasi-universal low-temperature anomalies whose origin has been ascribed to localized tunneling defects. Using an advanced Monte Carlo procedure, we create {\it in silico} glasses spanning from hyperquenched ultrastable glasses. a multidimensional path-finding protocol, locate defects with energy splittings smaller than $k_{B}T_Q$, $T_Q$ the temperature below which quantum effects are relevant ($T_Q \approx 1 \,$K most experiments). We find that as stability of glass...

The discovery of ultrastable glasses raises novel challenges about glassy systems. Recent experiments studied the macroscopic devitrification into liquids upon heating but lacked microscopic resolution. We use molecular dynamics simulations to analyze kinetics this transformation. In most stable systems, occurs after a very large time, liquid emerges in two steps. At short times, we observe rare nucleation and slow growth isolated droplets containing maintained under pressure by rigidity...

Structural defects control the kinetic, thermodynamic and mechanical properties of glasses. For instance, rare quantum tunneling two-level systems (TLS) govern physics glasses at very low temperature. Due to their extremely density, it is hard directly identify them in computer simulations. We introduce a machine learning approach efficiently explore potential energy landscape glass models desired classes defects. focus particular on TLS we design an algorithm that able rapidly predict...

A vertically shaken granular medium hosts a blade rotating around fixed vertical axis, which acts as mesorheological probe. At high densities, independently of the shaking intensity, blade's dynamics shows strong caging effects, marked by transient subdiffusion and maximum in velocity power density spectrum, at resonant frequency ~10 Hz. Interpreting data through diffusing harmonic cage model allows us to retrieve elastic constant its collective diffusion coefficient. For frequencies f, tail...

Abstract The nature of defects in amorphous materials, analogous to vacancies and dislocations crystals, remains elusive. Here, we explore their a three-dimensional microscopic model glass-former that describes granular, colloidal, atomic molecular glasses by changing the temperature density. We find all evolve very rough energy landscape, with hierarchy barrier sizes corresponding both localized delocalized excitations. Collective excitations dominate jamming regime relevant for granular...

A structural glass experiences rejuvenation and memory effects when the temperature is cycled, analogous to what already known for spin glasses, emphasizing link between mean field models of these two types glasses.

A novel form of amorphous matter characterized by marginal stability was recently discovered in the mean-field theory structural glasses. Using this approach, we provide complete phase diagrams delimiting location marginally stable glass for a large variety pair interactions and physical conditions, extensively exploring regimes relevant to granular matter, foams, emulsions, hard soft colloids, molecular We find that all types glasses may become stable, but extent highly depends on...

Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are elementary building blocks to tailor material’s morphology. While some studies have explored link between defective structures and rippling dynamics in 2D materials, a comprehensive understanding of this relationship has yet be achieved. Here, we address using machine learning-driven molecular simulations. Specifically, find above critical...

It was recently demonstrated that a simple Monte Carlo (MC) algorithm involving the swap of particle pairs dramatically accelerates equilibrium sampling simulated supercooled liquids. We propose two numerical schemes integrating efficiency swaps into molecular dynamics (MD) simulations. first develop hybrid MD/MC scheme combining with original Carlo. implement this method in LAMMPS, software package employed by large community users. Secondly, we define continuous time version where both...

In a recent computer study, we have shown that the combination of spatially heterogeneous dynamics and kinetic facilitation provides microscopic explanation for emergence excess wings in deeply supercooled liquids. Motivated by these findings, construct minimal empirical model to describe this physics introduce dynamic trap model, which was initially developed capture thermally activated glassy systems. We fully characterize relaxation facilitated varying functional form energy distributions...

Both natural ecosystems and biochemical reaction networks involve populations of heterogeneous agents whose cooperative competitive interactions lead to a rich dynamics species' abundances, albeit at vastly different scales. The maintenance diversity in large is longstanding puzzle, towards which recent progress has been made by the derivation dynamical mean-field theories random models. In particular, it recently shown that these models have chaotic phase abundances display wild...

The low-temperature quasi-universal behavior of amorphous solids has been attributed to the existence spatially localized tunneling defects found in low-energy regions potential energy landscape. Computational models glasses can be studied elucidate microscopic nature these defects. Recent simulation work demonstrated means generating stable glassy configurations for that mimic metallic using swap Monte Carlo algorithm. Building on studies, we present an extensive exploration metabasins...

We performed measurements of the dielectric constants, splay elastic constant, and rotational viscosity nematic phase mixtures 4,4'-n-octyl-cyanobiphenyl (8CB) biphenyl (BP). In contrast with previous results DasGupta et al. [Phys. Rev. E 63, 041703 (2001); Phys. Lett. A 288, 323 (2001)], we do not find any anomaly these constants when smectic-A is approached at all concentrations BP. These are compatible recent calorimetric Denolf 97, 107801 (2006); 76, 051702 (2007)] absence a tricritical...

Dynamics that are microscopic in space and time, which particles commit to a position, so-called excitations, considered the elementary unit of relaxation Dynamic Facilitation (DF) theory glass transition. Meanwhile, geometric motifs known as locally favored structures (LFS) associated with vitrification many glassformers. Recent work indicates probability found both excitations decreases significantly upon supercooling suggesting there is an anti-correlation between them [Ortlieb et al,...

Many of graphene's remarkable properties are intrinsically linked to its inherent ripples. Defects, whether naturally present or artificially introduced, known have a strong impact on the rippling graphene. However, how defects alter ripple dynamics in two-dimensional (2D) materials general, and graphene particular, remains largely unexplored. Here, using machine learning-driven molecular simulations, we reveal fundamental connection between defect concentration freestanding sheets....

Structural defects control the kinetic, thermodynamic and mechanical properties of glasses. For instance, rare quantum tunneling two-level systems (TLS) govern physics glasses at very low temperature. Because their extremely density, it is hard to directly identify them in computer simulations. We introduce a machine learning approach efficiently explore potential energy landscape glass models desired classes defects. focus particular on TLS we design an algorithm that able rapidly predict...