arXiv subjects

Misaki Ozawa

Publications and source records attributed to Misaki Ozawa.

At least 37 records · Page 2Linked to original sources

arXiv2023

Shear-Induced Phase Behavior and Topological Defects in Two-Dimensional Crystals

We investigate through numerical simulations how a two-dimensional crystal yields and flows under an applied shear. We focus over a range that allows us to both address the response in the limit of an infinitesimal shear rate and describe the phase behavior of the system at a finite shear rate. In doing so, we carefully discuss the role of the topological defects and of the finite-size effects. We map out the whole phase diagram of the flowing steady state in the plane formed by temperature and shear rate. Shear-induced melting of the two-dimensional crystal is found to proceed in two steps: first, the solid loses long-range bond-orientational order and flows, even for an infinitesimal shear rate (in the thermodynamic limit). The resulting flowing hexatic phase then melts to a flowing, rather isotropic, liquid at a finite shear rate that depends on temperature. Finally, at a high shear rate, a third regime corresponding to a strongly anisotropic string-like flowing phase appears.

cond-mat.soft↗

arXiv2023

Far-from-equilibrium criticality in the Random Field Ising Model with Eshelby Interactions

We study a quasi-statically driven random field Ising model (RFIM) at zero temperature with interactions mediated by the long-range anisotropic Eshelby kernel. Analogously to amorphous solids at their yielding transition, and differently from ferromagnetic and dipolar RFIMs, the model shows a discontinuous magnetization jump associated with the appearance of a band-like structure for weak disorder and a continuous magnetization growth, yet punctuated by avalanches, for strong disorder. Through a finite-size scaling analysis in 2 and 3 dimensions we find that the two regimes are separated by a finite-disorder critical point which we characterize. We discuss similarities and differences between the present model and models of sheared amorphous solids.

cond-mat.dis-nn↗

arXiv2023

Scaling Description of Dynamical Heterogeneity and Avalanches of Relaxation in Glass-Forming Liquids

We provide a theoretical description of dynamical heterogeneities in glass-forming liquids, based on the premise that relaxation occurs via local rearrangements coupled by elasticity. In our framework, the growth of the dynamical correlation length $ξ$ and of the correlation volume $χ_4$ are controlled by a zero-temperature fixed point. We connect this critical behavior to the properties of the distribution of local energy barriers at zero temperature. Our description makes a direct connection between dynamical heterogeneities and avalanche-type relaxation associated to dynamic facilitation, allowing us to relate the size distribution of heterogeneities to their time evolution. Within an avalanche, a local region relaxes multiple times, the more the larger is the avalanche. This property, related to the nature of the zero-temperature fixed point, directly leads to decoupling of particle diffusion and relaxation time (the so-called Stokes-Einstein violation). Our most salient predictions are tested and confirmed by numerical simulations of scalar and tensorial thermal elasto-plastic models.

cond-mat.soft↗

arXiv2022

Creating bulk ultrastable glasses by random particle bonding

A recent breakthrough in glass science has been the synthesis of ultrastable glasses via physical vapor deposition techniques. These samples display enhanced thermodynamic, kinetic and mechanical stability, with important implications for fundamental science and technological applications. However, the vapor deposition technique is limited to atomic, polymer and organic glass-formers and is only able to produce thin film samples. Here, we propose a novel approach to generate ultrastable glassy configurations in the bulk, via random particle bonding, and using computer simulations we show that this method does indeed allow for the production of ultrastable glasses. Our technique is in principle applicable to any molecular or soft matter system, such as colloidal particles with tunable bonding interactions, thus opening the way to the design of a large class of ultrastable glasses.

cond-mat.soft↗

arXiv2022

Finite-disorder critical point in the yielding transition of elasto-plastic models

Upon loading, amorphous solids can exhibit brittle yielding, with the abrupt formation of macroscopic shear bands leading to fracture, or ductile yielding, with a multitude of plastic events leading to homogeneous flow. It has been recently proposed, and subsequently questioned, that the two regimes are separated by a sharp critical point, as a function of some control parameter characterizing the intrinsic disorder strength and the degree of stability of the solid. In order to resolve this issue, we have performed extensive numerical simulations of athermally driven elasto-plastic models with long-range and anisotropic realistic interaction kernels in two and three dimensions. Our results provide clear evidence for a finite-disorder critical point separating brittle and ductile yielding, and we provide an estimate of the critical exponents in 2D and 3D.

cond-mat.soft↗

arXiv2022

The Kauzmann Transition to an Ideal Glass Phase

The idea that a thermodynamic glass transition of some sort underlies the observed glass formation has been highly debated since Kauzmann first stressed the hypothetical entropy crisis that could take place if one were able to equilibrate supercooled liquids below the experimental glass transition temperature $T_g$. This a priori unreachable transition at some $T_K<T_g$ has since received a firm theoretical basis as a key feature predicted by the mean-field theory of the glass transition. In this chapter, we assess whether, and in which form, such a transition can survive in finite dimensions, and we review some of the recent computer simulation work addressing the issue in $2$- and $3$-dimensional glass-forming liquid models. We also discuss theoretical reasons to focus on an apparently inaccessible singularity.

cond-mat.dis-nn↗

arXiv2022

Elasticity, Facilitation and Dynamic Heterogeneity in Glass-Forming liquids

We study the role of elasticity-induced facilitation on the dynamics of glass-forming liquids by a coarse-grained two-dimensional model in which local relaxation events, taking place by thermal activation, can trigger new relaxations by long-range elastically-mediated interactions. By simulations and an analytical theory, we show that the model reproduces the main salient facts associated with dynamic heterogeneity and offers a mechanism to explain the emergence of dynamical correlations at the glass transition. We also discuss how it can be generalized and combined with current theories.

cond-mat.dis-nn↗

arXiv2022

Rare events and disorder control the brittle yielding of well-annealed amorphous solids

We use atomistic computer simulations to provide a microscopic description of the brittle failure of amorphous materials, and we assess the role of rare events and quenched disorder. We argue that brittle yielding originates at rare soft regions, similarly to Griffiths effects in disordered systems. We numerically demonstrate how localized plastic events in such soft regions trigger macroscopic failure via the propagation of a shear band. This physical picture, which no longer holds in poorly annealed ductile materials, allows us to discuss the role of finite size effects in brittle yielding and reinforces the similarities between yielding and other disorder-controlled nonequilibrium phase transitions.

cond-mat.soft↗

arXiv2022

Wavelet Conditional Renormalization Group

We develop a multiscale approach to estimate high-dimensional probability distributions from a dataset of physical fields or configurations observed in experiments or simulations. In this way we can estimate energy functions (or Hamiltonians) and efficiently generate new samples of many-body systems in various domains, from statistical physics to cosmology. Our method -- the Wavelet Conditional Renormalization Group (WC-RG) -- proceeds scale by scale, estimating models for the conditional probabilities of "fast degrees of freedom" conditioned by coarse-grained fields. These probability distributions are modeled by energy functions associated with scale interactions, and are represented in an orthogonal wavelet basis. WC-RG decomposes the microscopic energy function as a sum of interaction energies at all scales and can efficiently generate new samples by going from coarse to fine scales. Near phase transitions, it avoids the "critical slowing down" of direct estimation and sampling algorithms. This is explained theoretically by combining results from RG and wavelet theories, and verified numerically for the Gaussian and $φ^4$ field theories. We show that multiscale WC-RG energy-based models are more general than local potential models and can capture the physics of complex many-body interacting systems at all length scales. This is demonstrated for weak-gravitational-lensing fields reflecting dark matter distributions in cosmology, which include long-range interactions with long-tail probability distributions. WC-RG has a large number of potential applications in non-equilibrium systems, where the underlying distribution is not known {\it a priori}. Finally, we discuss the connection between WC-RG and deep network architectures.

cond-mat.stat-mech↗

arXiv2022

Relaxation dynamics in the energy landscape of glass-forming liquids

We numerically study the zero-temperature relaxation dynamics of several glass-forming models to their inherent structures, following quenches from equilibrium configurations sampled across a wide range of initial temperatures. In a mean-field Mari-Kurchan model, we find that relaxation changes from a power-law to an exponential decay below a well-defined temperature, consistent with recent findings in mean-field $p$-spin models. By contrast, for finite-dimensional systems, the relaxation is always algebraic, with a non-trivial universal exponent at high temperatures crossing over to a harmonic value at low temperatures. We demonstrate that this apparent evolution is controlled by a temperature-dependent population of localised glassy excitations. Our work unifies several recent lines of studies aiming at a detailed characterisation of the complex potential energy landscape of glass-formers, and challenges both mean-field and real space descriptions of glasses.

cond-mat.stat-mech↗

arXiv2020

Ultrastable metallic glasses in silico

We develop a generic strategy and simple numerical models for multi-component metallic glasses for which the swap Monte Carlo algorithm can produce highly stable equilibrium configurations equivalent to experimental systems cooled more than $10^7$ times slower than in conventional simulations. This paves the way for a deeper understanding of thermodynamic, dynamic, and mechanical properties of metallic glasses. As first applications, we considerably extend configurational entropy measurements down to the experimental glass temperature, and demonstrate a qualitative change of the mechanical response of metallic glasses of increasing stability towards brittleness.

cond-mat.stat-mech↗

arXiv2020

Glass stability changes the nature of yielding under oscillatory shear

We perform molecular dynamics simulations to investigate the effect of a glass preparation on its yielding transition under oscillatory shear. We use swap Monte Carlo to investigate a broad range of glass stabilities from poorly annealed to highly stable systems. We observe a qualitative change in the nature of yielding, which evolves from ductile to brittle as glass stability increases. Our results disentangle the relative role of mechanical and thermal annealing on the mechanical properties of amorphous solids, which is relevant for various experimental situations from the rheology of soft materials to fatigue failure in metallic glasses.

cond-mat.dis-nn↗

arXiv2020

Role of fluctuations in the yielding transition of two-dimensional glasses

We numerically study yielding in two-dimensional glasses which are generated with a very wide range of stabilities by swap Monte-Carlo simulations and then slowly deformed at zero temperature. We provide strong numerical evidence that stable glasses yield via a nonequilibrium discontinuous transition in the thermodynamic limit. A critical point separates this brittle yielding from the ductile one observed in less stable glasses. We find that two-dimensional glasses yield similarly to their three-dimensional counterparts but display larger sample-to-sample disorder-induced fluctuations, stronger finite-size effects, and rougher spatial wandering of the observed shear bands. These findings strongly constrain effective theories of yielding.

cond-mat.dis-nn↗

arXiv2019

Brittle yielding of amorphous solids at finite shear rates

Amorphous solids display a ductile to brittle transition as the kinetic stability of the quiescent glass is increased, which leads to a material failure controlled by the sudden emergence of a macroscopic shear band in quasi-static protocols. We numerically study how finite deformation rates influence ductile and brittle yielding behaviors using model glasses in two and three spatial dimensions. We find that a finite shear rate systematically enhances the stress overshoot of poorly-annealed systems, without necessarily producing shear bands. For well-annealed systems, the non-equilibrium discontinuous yielding transition is smeared out by finite shear rates and it is accompanied by the emergence of multiple shear bands that have been also reported in metallic glass experiments. We show that the typical size of the bands and the distance between them increases algebraically with the inverse shear rate. We provide a dynamic scaling argument for the corresponding lengthscale, based on the competition between the deformation rate and the propagation time of the shear bands.

cond-mat.stat-mech↗

arXiv2019

Does the Adam-Gibbs relation hold in simulated supercooled liquids?

We perform stringent tests of thermodynamic theories of the glass transition over the experimentally relevant temperature regime for several simulated glass-formers. The swap Monte Carlo algorithm is used to estimate the configurational entropy and static point-to-set lengthscale, and careful extrapolations are used for the relaxation times. We first quantify the relation between configurational entropy and the point-to-set lengthscale in two and three dimensions. We then show that the Adam-Gibbs relation is generally violated in simulated models for the experimentally relevant time window. Collecting experimental data for several supercooled molecular liquids, we show that the same trends are observed experimentally. Deviations from the Adam-Gibbs relation remain compatible with random first order transition theory, and may account for the reported discrepancies between Kauzmann and Vogel-Fulcher-Tammann temperatures. Alternatively, they may also indicate that even near $T_g$ thermodynamics is not the only driving force for slow dynamics.

cond-mat.stat-mech↗

arXiv2019

Perspective: Configurational entropy of glass-forming liquids

The configurational entropy is one of the most important thermodynamic quantities characterizing supercooled liquids approaching the glass transition. Despite decades of experimental, theoretical, and computational investigation, a widely accepted definition of the configurational entropy is missing, its quantitative characterization remains fraud with difficulties, misconceptions and paradoxes, and its physical relevance is vividly debated. Motivated by recent computational progress, we offer a pedagogical perspective on the configurational entropy in glass-forming liquids. We first explain why the configurational entropy has become a key quantity to describe glassy materials, from early empirical observations to modern theoretical treatments. We explain why practical measurements necessarily require approximations that make its physical interpretation delicate. We then demonstrate that computer simulations have become an invaluable tool to obtain precise, non-ambiguous, and experimentally-relevant measurements of the configurational entropy. We describe a panel of available computational tools, offering for each method a critical discussion. This perspective should be useful to both experimentalists and theoreticians interested in glassy materials and complex systems.

cond-mat.stat-mech↗

arXiv2018

Ideal glass states are not purely vibrational: Insight from randomly pinned glasses

We use computer simulations to probe the thermodynamic and dynamic properties of a glass-former that undergoes an ideal glass-transition because of the presence of randomly pinned particles. We find that even deep in the equilibrium glass state the system relaxes to some extent because of the presence of localized excitations that allow the system to access different inherent structures, giving thus rise to a non-trivial contribution to the entropy. By calculating with high accuracy the vibrational part of the entropy, we show that also in the equilibrium glass state thermodynamics and dynamics give a coherent picture and that glasses should not be seen as a disordered solid in which the particles undergo just vibrational motion but instead as a system with a highly nonlinear internal dynamics.

cond-mat.dis-nn↗

arXiv2018

Configurational entropy of polydisperse supercooled liquids

We propose a computational method to measure the configurational entropy in generic polydisperse glass-formers. In particular, our method resolves issues related to the diverging mixing entropy term due to a continuous polydispersity. The configurational entropy is measured as the difference between the well-defined fluid entropy and a more problematic glass entropy. We show that the glass entropy can be computed by a simple generalisation of the Frenkel-Ladd thermodynamic integration method, which includes permutations of the particle diameters. This approach automatically provides a physically meaningful mixing entropy, and includes contributions that are not purely vibrational. The proposed configurational entropy is thus devoid of conceptual and technical difficulties due to continuous polydispersity, while being conceptually closer and technically simpler than alternative free energy approaches.

cond-mat.stat-mech↗