Despite the extreme simplicity in their definition, spin glasses disclose a wide variety of non-trivial behaviors that are not yet fully understood. In this thesis we try to shed light on some of them, focusing on one hand on the search of phase transitions under perturbations of the Hamiltonian, and on the other hand on the zero-temperature properties and responses to external stimuli. After introducing spin glasses through a historiographical review, and useful concepts on phase transitions and numerics, the results of two massive Monte Carlo campaigns on three-dimensional systems are shown. In the first one the de Almeida-Thouless transition is studied, and a new finite-size scaling ansatz is proposed, that accelerates the convergence to the thermodynamic limit. In the second one the phase diagram of the Heisenberg spin glass with random exchange anisotropy is reconstructed. In the following part of the manuscript, surprising features of zero-temperature statics and dynamics of several spin glass models are found. Among them, correlations between soft spins that arise spontaneously during avalanches, and the discovery of localized states that involve the presence of two-level systems.
Extensive simulations are made of link and spin overlaps in four and five dimensional Ising Spin Glasses (ISGs). Moments and moment ratios of the mean link overlap distributions (the variance, the kurtosis and the skewness) show clear critical behavior around the ISG ordering temperature. The link overlap measurements can be used to identify the ISG transition accurately; the link overlap is often a more efficient tool in this context than the spin overlap because the link overlap inter-sample variability is much weaker. Once the transition temperature is accurately established, critical expon…
We propose damage spreading (DS) as a tool to investigate the topological features related to the ruggedness of the free energy landscape. We argue that DS measures the positiveness of the largest Lyapunov exponent associated to the basins of attraction visited by the system during its dynamical evolution. We discuss recent results obtained in the framework of mode-coupling theory and comment how to extend them to the study of realistic glasses. Preliminary results are presented for purely repulsive soft-sphere glasses.
We analyse the relationship between dynamics and configuration space structure of Ising spin glass systems. The exact knowledge of the structure of the low--energy landscape is used to study the relaxation of the system by random walk in the configuration space. The influence of the size of the valleys, clusters and energy barriers and the connectivity between them on the spin correlation function is shown.
Large numbers of ground states of two-dimensional Ising spin glasses with periodic boundary conditions in both directions are calculated for sizes up to 40^2. A combination of a genetic algorithm and Cluster-Exact Approximation is used. For each quenched realization of the bonds up to 40 independent ground states are obtained. For the infinite system a ground-state energy of e=-1.4015(3) is extrapolated. The ground-state landscape is investigated using a finite-size scaling analysis of the distribution of overlaps. The mean-field picture assuming a complex landscape describes the situation bet…
connected spin-glass models with a discontinuous transition. In the thermodynamic limit the equilibrium properties in the high temperature phase are described by the schematic Mode Coupling Theory of super-cooled liquids. We show that {\it finite-size} fully connected spin-glass models do exhibit properties typical of Lennard-Jones systems when both are near the critical glass transition, where thermodynamics is ruled by energy minima distribution. Our study opens the way to consider activated processes in real glasses through finite-size corrections (i.e. calculations beyond the saddle point …
Although glass phases are found in various soft matter systems ubiquitously, we are still far from a complete understanding of them. The concept of marginal stability predicted by infinite-dimensional mean-field theories is drawing attention as a candidate for universal and distinguishing unique features of glasses. While among theoretical predictions, the non-Debye scaling has indeed been observed universally over various classes of glasses, and the Gardner phase is found only in hard sphere systems if we restrict ourselves to the physical dimensions. In this work, we numerically demonstrate …
Spin glasses are notoriously difficult to study both analytically and numerically due to the presence of frustration and metastability. Their highly non-convex landscapes require collective updates to explore efficiently. Currently, most state-of-the-art algorithms rely on stochastic spin clusters to perform non-local updates, but such "cluster algorithms" lack general efficiency. Here, we introduce a non-equilibrium approach for simulating spin glasses based on classical dynamics with memory. By simulating various classes of 3d spin glasses (Edwards-Anderson, partially-frustrated, and fully-f…
Dynamic arrest is a general phenomenon across a wide range of dynamic systems, but the universality of dynamic arrest phenomena remains unclear. We relate the emergence of traffic jams in a simple traffic flow model to the dynamic slow down in kinetically constrained models for glasses. In kinetically constrained models, the formation of glass becomes a true (singular) phase transition in the limit $T\to 0$. Similarly, using the Nagel-Schreckenberg model to simulate traffic flow, we show that the emergence of jammed traffic acquires the signature of a sharp transition in the deterministic limi…
We present a novel mechanism for the anomalous behaviour of the specific heat in low-temperature amorphous solids. The analytic solution of a mean-field model belonging to the same universality class as high-dimensional glasses, the spherical perceptron, suggests that there exists a crossover temperature above which the specific heat scales linearly with temperature while below it a cubic scaling is displayed. This relies on two crucial features of the phase diagram: (i) The marginal stability of the free-energy landscape, which induces a gapless phase responsible for the emergence of a power-…
A major challenge in the modeling of ionically conducting glasses is to understand how the large variety of possible chemical compositions and specific structural properties influence ionic transport quantities. Here we revisit and extend a theoretical approach for alkali borophosphate glasses, where changes of conductivity activation energies with the borate to phosphate mixing ratio are related to modifications of the ionic site energy landscape. The landscape modifications are caused by varying amounts of different units forming the glassy network, which lead to spatial redistributions of t…
Glassy behavior is one of the main open problems in condensed matter physics. In this thesis, we approach the problem by studying spin-glasses and colloids, using several complementary strategies. From the point of view of model building, we propose a new model, the hypercube model, which is mean-field but defined in a metric space. We show that, also in Mean Field, the spin-glass non-equilibrium dynamics is a domain-growth process very similar to its three-dimensional counterpart. We also consider spin-glasses in three spatial dimensions, focusing on temperature chaos. Thanks to the low-tempe…
We numerically analyse the landscape governing the evolution of the vibrational dynamics of hard disk glasses as the density increases towards jamming. We find that the dynamics becomes slow, spatially correlated, and starts to display aging dynamics across an avoided Gardner transition, with a phenomenology that resembles three dimensional observations. We carefully analyse the behaviour of single glass samples, and find that the emergence of aging dynamics is controlled by the apparition of a complex organisation of the landscape that splits into a remarkable hierarchy of minima as jamming i…
There is a growing belief that the mode coupling theory is the proper microscopic theory for the dynamics of the undercooled liquid above a critical temperature T_c. In addition, there is some evidence that the system leaves the saddlepoints of the energy landscape to settle in the valleys at this critical temperature. Finally, there is a microscopic theory for the entropy at the calorimetric glass transition T_g by Mezard and Parisi, which allows to calculate the Kauzmann temperature from the atomic pair potentials. The dynamics of the frozen glass phase is at present limited to phenomenologi…
The equation of state for a liquid in equilibrium, written in the potential energy landscape formalism, is generalized to describe out-of-equilibrium conditions. The hypothesis that during aging the system explores basins associated to equilibrium configurations is the key ingredient in the derivation. Theoretical predictions are successfully compared with data from molecular dynamics simulations of different aging processes, such as temperature and pressure jumps.
We study the problem of glassy relaxations in the presence of an external field in the highly controlled context of a spin-glass simulation. We consider a small spin glass in three dimensions (specifically, a lattice of size L=8, small enough to be equilibrated through a Parallel Tempering simulations at low temperatures, deep in the spin glass phase). After equilibrating the sample, an external field is switched on, and the subsequent dynamics is studied. The field turns out to reduce the relaxation time, but huge statistical fluctuations are found when different samples are compared. After t…
Recent work suggests that Heisenberg spin glasses may belong to the same universality class than structural glasses. Indeed, finding a lattice equivalent for supercooled liquids would probably allow easier numerical and analytical studies, that may help to answer long-standing questions on the glass transition. Supercooled liquids have many peculiar behaviors that should be found in the paramagnetic phase of Heisenberg spin glasses if the analogy between the two systems holds. It is with this motivation that we undertake a study of the paramagnetic phase of Heisenberg spin glasses. We shall em…
An appropriate model for the random energy landscape in organic glasses is a spatially correlated Gaussian field. We calculated the distribution of the average value of a Gaussian random field in a finite domain. The results of the calculation demonstrate a strong dependence of the width of the distribution on the spatial correlations of the field. Comparison with the simulation results for the distribution of the size of the cluster indicates that the distribution of an average field could serve as a useful tool for the estimation of the asymptotic behavior of the distribution of the size of …
We consider damage spreading transitions in the framework of mode-coupling theory. This theory describes relaxation processes in glasses in the mean-field approximation which are known to be characterized by the presence of an exponentially large number of meta-stable states. For systems evolving under identical but arbitrarily correlated noises we demonstrate that there exists a critical temperature $T_0$ which separates two different dynamical regimes depending on whether damage spreads or not in the asymptotic long-time limit. This transition exists for generic noise correlations such that …
The critical behavior of the Binder cumulant for Ising spin glasses in dimension four are studied through simulation measurements. Data for the bimodal interaction model are compared with those for the Laplacian interaction model. Special attention is paid to scaling corrections. The limiting infinite size value at criticality for this dimensionless variable is a parameter characteristic of a universality class. This critical limit is estimated to be equal to $0.523(3)$ in the bimodal model and to $0.473(3)$ in the Laplacian model.
Disconnectivity graphs are used to visualize the minima and the lowest energy barriers between the minima of complex systems. They give an easy and intuitive understanding of the underlying energy landscape and, as such, are excellent tools for understanding the complexity involved in finding low-lying or global minima of such systems. We have developed a classification scheme that categorizes highly-degenerate minima of spin glasses based on similarity and accessibility of the individual states. This classification allows us to condense the information pertained in different dales of the ener…
We present the results of a large-scale numerical study of the equilibrium three-dimensional Edwards-Anderson Ising spin glass with Gaussian disorder. Using parallel tempering (replica exchange) Monte Carlo we measure various static, as well as dynamical quantities, such as the autocorrelation times and round-trip times for the parallel tempering Monte Carlo method. The correlation between static and dynamic observables for 5000 disorder realizations and up to 1000 spins down to temperatures at 20% of the critical temperature is examined. Our results show that autocorrelation times are directl…
Percolation Criticality of Amorphous-Amorphous Transitions in Compressed Glasses
Laboratoire Charles Coulomb (L2C), CNRS - Université Montpellier（夏尔·库隆实验室，法国国家科学研究中心-蒙彼利埃大学）；Departamento de Física y Matemáticas, Universidad Iberoamericana（物理与数学系，伊比利亚美洲大学）；Centro de Física, Instituto Venezolano de Investigaciones Científicas（物理中心，委内瑞拉科学研究研究所）；Departamento de Física, Universidad Simón Bolívar（物理系，西蒙·玻利瓦尔大学）
For a model glass-former we demonstrate via computer simulations how macroscopic dynamic quantities can be inferred from a PEL analysis. The essential step is to consider whole superstructures of many PEL minima, called metabasins, rather than single minima. We show that two types of metabasins exist: some allowing for quasi-free motion on the PEL (liquid-like), the others acting as traps (solid-like). The activated, multi-step escapes from the latter metabasins are found to dictate the slowing down of dynamics upon cooling over a much broader temperature range than is currently assumed.
Fossil amber offers the unique opportunity of investigating an amorphous material which has been exploring its energy landscape for more than 110 Myears of natural aging. By applying different x-ray scattering methods to amber before and after annealing the sample to erase its thermal history, we identify a link between the potential energy landscape and the structural and vibrational properties of glasses. We find that hyperaging induces a depletion of the vibrational density of states in the THz region, also ruling the sound dispersion and attenuation properties of the corresponding acoustic…
An appropriate model for the random energy landscape in organic glasses is a spatially correlated Gaussian field, generated by randomly located and oriented dipoles and quadrupoles. Correlation properties of energetic disorder directly dictates the mobility dependence on the applied electric field. Electrostatic disorder is significantly modified in the vicinity of the electrode that affects injection properties. Correlated Gaussian field forms clusters. We suggest a simple method to estimate an asymptotics of the cluster distribution on size for deep clusters where a value of the field on eac…
Ising spin glass models with bimodal, Gaussian, uniform and Laplacian interaction distributions in dimension five are studied through detailed numerical simulations. The data are analyzed in both the finite-size scaling regime and the thermodynamic limit regime. It is shown that the values of critical exponents and of dimensionless observables at criticality are model dependent. Models in a single universality class have identical values for each of these critical parameters, so Ising spin glass models in dimension five with different interaction distributions each lie in different universalit…
Glasses are amorphous solids whose constituent particles are caged by their neighbors and thus cannot flow. This sluggishness is often ascribed to the free energy landscape containing multiple minima (basins) separated by high barriers. Here we show, using theory and numerical simulation, that the landscape is much rougher than is classically assumed. Deep in the glass, it undergoes a "roughness transition" to fractal basins. This brings about isostaticity at jamming and marginality of glassy states near jamming. Critical exponents for the basin width, the weak force distribution, and the spat…
We have studied the topology of the energy landscape of a spin-glass model and the effect of frustration on it by looking at the connectivity and disconnectivity graphs of the inherent structure. The connectivity network shows the adjacency of energy minima whereas the disconnectivity network tells us about the heights of the energy barriers. Both graphs are constructed by the exact enumeration of a two-dimensional square lattice of a frustrated spin glass with nearest-neighbor interactions up to the size of 27 spins. The enumeration of the energy-landscape minima as well as the analytical mea…
A ``ballistic-search'' algorithm is presented which allows the identification of clusters (or funnels) of ground states in Ising spin glasses even for moderate system sizes. The clusters are defined to be sets of states, which are connected in state-space by chains of zero-energy flips of spins. The technique can also be used to estimate the sizes of such clusters. The performance of the method is tested with respect to different system sizes and choices of parameters. As an application the ground-state funnel structure of two-dimensional +or- J spin glasses of systems up to size L=20 is analy…
The correlations of the free-energy landscape of mean-field spin glasses at different temperatures are investigated, concentrating on models with a first order freezing transition. Using a ``potential function'' we follow the metastable states of the model in temperature, and discuss the possibility of level crossing (which we do not find) and multifurcation (which we find). The dynamics at a given temperature starting from an equilibrium configuration at a different temperature is also discussed. In presence of multifurcation, we find that the equilibrium is never achieved, leading to aging b…
We study the distribution of overlaps of glassy minima, taking proper care of residual symmetries of the system. Ensembles of locally stable, low lying glassy states are efficiently generated by rapid cooling from the liquid phase which has been equilibrated at a temperature $T_{run}$. Varying $T_{run}$, we observe a transition from a regime where a broad range of states are sampled to a regime where the system is almost always trapped in a metastable glassy state. We do not observe any structure in the distribution of overlaps of glassy minima, but find only very weak correlations, comparable…
Calorimetric experiments on network glasses provide information on the ergodicity (landscape) temperature of supercooled liquids and can be compared with a recent theory developed by Hall and Wolynes [PRL90, 085505 (2003)]
Spin glasses have competing interactions that lead to a rough energy landscape which is highly susceptible to small perturbations. These chaotic effects strongly affect numerical simulations and, as such, gaining a deeper understanding of chaos in spin glasses is of much importance. The use of thermal boundary conditions is an effective approach to study chaotic phenomena. Here, we generalize population annealing Monte Carlo, combined with thermal boundary conditions, to study bond chaos due to small perturbations in the spin-spin couplings of the three-dimensional Edwards-Anderson Ising spin …
Given discrete degrees of freedom (spins) on a graph interacting via an energy function, what can be said about the energy local minima and associated inherent structures? Using the lid algorithm in the context of a spin glass energy function, we investigate the properties of the energy landscape for a variety of graph topologies. First, we find that the multiplicity Ns of the inherent structures generically has a lognormal distribution. In addition, the large volume limit of ln<Ns>/<lnNs> differs from unity, except for the Sherrington-Kirkpatrick model. Second, we find simple scaling laws for…
We obtain a general formula for the distribution of sizes of "static avalanches", or shocks, in generic mean-field glasses with replica-symmetry-breaking saddle points. For the Sherrington-Kirkpatrick (SK) spin-glass it yields the density rho(S) of the sizes of magnetization jumps S along the equilibrium magnetization curve at zero temperature. Continuous replica-symmetry breaking allows for a power-law behavior rho(S) ~ 1/(S)^tau with exponent tau=1 for SK, related to the criticality (marginal stability) of the spin-glass phase. All scales of the ultrametric phase space are implicated in jump…
Metastable states in Ising spin-glass models are studied by finding iterative solutions of mean-field equations for the local magnetizations. Two different equations are studied: the TAP equations which are exact for the SK model, and the simpler `naive-mean-field' (NMF) equations. The free-energy landscapes that emerge are very different. For the TAP equations, the numerical studies confirm the analytical results of Aspelmeier et al., which predict that TAP states consist of close pairs of minima and index-one (one unstable direction) saddle points, while for the NMF equations saddle points w…
The population annealing algorithm introduced by Hukushima and Iba is described. Population annealing combines simulated annealing and Boltzmann weighted differential reproduction within a population of replicas to sample equilibrium states. Population annealing gives direct access to the free energy. It is shown that unbiased measurements of observables can be obtained by weighted averages over many runs with weight factors related to the free energy estimate from the run. Population annealing is well suited to parallelization and may be a useful alternative to parallel tempering for systems …
In this paper, we review several important features of the out-of-equilibrium dynamics of spin glasses. Starting with the simplest experiments, we discuss the scaling laws used to describe the isothermal aging observed in spin glasses after a quench down to the low temperature phase. We report in particular new results on the sub-aging behaviour of spin glasses. We then discuss the rejuvenation and memory effects observed when a spin glass is submitted to temperature variations during aging, from the point of view of both energy landscape pictures and of real space pictures. We highlight the f…
The multidimensional topography of the collective potential energy function of a so-called strong glass former (silica) is analyzed by means of classical molecular dynamics calculations. Features qualitatively similar to those of fragile glasses are recovered at high temperatures : in particular an intrinsic characteristic temperature $T_c\simeq 3500$K is evidenced above which the system starts to investigate non-harmonic potential energy basins. It is shown that the anharmonicities are essentially characterized by a roughness appearing in the potential energy valleys explored by the system fo…
We use record dynamics (RD), a coarse-grained description of the ubiquitous relaxation phenomenology known as "aging", as a diagnostic tool to find universal features that distinguish between the energy landscapes of Ising spin models and the ferromagnet. According to RD, a non-equilibrium system after a quench relies on fluctuations that randomly generate a sequence of irreversible record-sized events (quakes or avalanches) that allow the system to escape ever-higher barriers of meta-stable states within a complex, hierarchical energy landscape. Once these record events allow the system to ov…
A method is presented, which allows to sample directly low-temperature configurations of glassy systems, like spin glasses. The basic idea is to generate ground states and low lying excited configurations using a heuristic algorithm. Then, with the help of microcanonical Monte Carlo simulations, more configurations are found, clusters of configurations are determined and entropies evaluated. Finally equilibrium configuration are randomly sampled with proper Gibbs-Boltzmann weights. The method is applied to three-dimensional Ising spin glasses with +- J interactions and temperatures T<=0.5. The…
Population annealing is a Monte Carlo algorithm that marries features from simulated annealing and parallel tempering Monte Carlo. As such, it is ideal to overcome large energy barriers in the free-energy landscape while minimizing a Hamiltonian. Thus, population annealing Monte Carlo can be used as a heuristic to solve combinatorial optimization problems. We illustrate the capabilities of population annealing Monte Carlo by computing ground states of the three-dimensional Ising spin glass with Gaussian disorder, whilst comparing to simulated annealing and parallel tempering Monte Carlo. Our r…
We study mean field systems whose free energy landscape is dominated by marginally stable states. We review and develop various techniques to describe such states, elucidating their physical meaning and the interrelation between them. In particular, we give a physical interpretation of the two-group replica symmetry breaking scheme and confirm it by establishing the relation to the cavity method and to the counting of solutions of the Thouless-Anderson-Palmer equations. We show how these methods all incorporate the presence of a soft mode in the free energy landscape and interpret the occurrin…
In this paper, we review the general features of the out-of-equilibrium dynamics of spin glasses. We use this example as a guideline for a brief description of glassy dynamics in other disordered systems like structural and polymer glasses, colloids, gels etc. Starting with the simplest experiments, we discuss the scaling laws used to describe the isothermal aging observed in spin glasses after a quench down to the low temperature phase (these scaling laws are the same as established for polymer glasses). We then discuss the rejuvenation and memory effects observed when a spin glass is submitt…
In this paper we expose the results of our recent work on the dynamical TAP approach to mean field glassy systems. Our aim is to clarify the connection between free energy landscape and out of equilibrium dynamics in solvable models. Frequently qualitative explanations of glassy behaviour are based on the ``Free Energy Landscape Paradigm''. If its relevance for equilibrium properties is clear, the relationship between free energy landscape and out of equilibrium dynamics is not well understood yet. In this paper we clarify this relationship for the class of spin glass models which reproduce ph…
We numerically investigate the aging dynamics of a monatomic Lennard-Jones glass, focusing on the topology of the potential energy landscape which, to this aim, has been partitioned in basins of attraction of stationary points (saddles and minima). The analysis of the stationary points visited during the aging dynamics shows the existence of two distinct regimes: i) at short times, t<t_c, the system visits basins of saddles whose energies and orders decrease with t; ii) at long times, t>t_c, the system mainly lies in basins pertaining to minima of slowly decreasing energy. The dynamics for t>t…
The boson peak (BP) is a universal feature in the Raman and inelastic scattering spectra of both disordered and crystalline materials. The current paradigm presents the boson peak as the result of a Ioffe-Regel crossover between ballistic (phonon) and diffusive-type excitations, where the loss of coherence of phonons is described as a purely harmonic process due to structural disorder. This "harmonic disorder" paradigm for the BP has never been challenged or tested at the atomistic level. Here, through a set of atomistically-resolved characterizations of amorphous metallic alloys, we uncover a…
Rare Trajectories in a Prototypical Mean-field Disordered Model: Insights into Landscape and Instantons
Duke University（杜克大学）；Institute for Cross-disciplinary Physics and Complex Systems IFISC (CSIC-UIB)（交叉物理与复杂系统研究所（CSIC-UIB））；Bocconi University（博科尼大学）；Institute for Data Science and Analytics, Bocconi University（博科尼大学数据科学与分析研究所）；Institute of Complex Systems (ISC) - CNR, Rome unit（意大利国家研究委员会复杂系统研究所罗马分部）；Sapienza Università di Roma（罗马大学）
We introduce the strongly-interacting trap model, a version of Bouchaud's trap model for glasses [Bouchaud J-P 1992 {\em J. Phys. I France {\bf 2}} 1705]. At finite temperatures the model exhibits glassy relaxation over intermediate timeframes but reaches a steady state at finite times. In limit of zero temperature and with a suitably renormalised timescale the model maps onto the Bak-Sneppen model, widely studied in the context of self-organised criticality [Bak P and Sneppen K 1993 {\em Phys. Rev. Lett. {\bf 71}} 4083]. Hence zero temperature is a critical point in all dimensions. These clai…
Ising spin glasses with bimodal and Gaussian near-neighbor interaction distributions are studied through numerical simulations. The non-self-averaging (normalized inter-sample variance) parameter $U_{22}(T,L)$ for the spin glass susceptibility (and for higher moments $U_{nn}(T,L)$) is reported for dimensions 2, 3, 4, 5 and 7. In each dimension $d$ the non-self-averaging parameters in the paramagnetic regime vary with the sample size L and the correlation length $ξ(T,L)$ as $U_{nn}(β,L) = [K_{d}ξ(T,L)/L]^d$, and so follow a renormalization group law due to Aharony and Harris (1991). Empirically…
A microscopically motivated theory of glassy dynamics based on an underlying random first order transition is developed to explain the magnitude of free energy barriers for glassy relaxation. A variety of empirical correlations embodied in the concept of liquid "fragility" are shown to be quantitatively explained by such a model. The near universality of a Lindemann ratio characterizing the maximal amplitude of thermal vibrations within an amorphous minimum explains the variation of fragility with a liquid's configurational heat capacity density. Furthermore the numerical prefactor of this cor…
