Using molecular dynamics simulation, we study acoustic resonance in low-temperature glass by applying a small periodic shear at a boundary wall. Shear wave resonance occurs as the frequency $ω$ approaches $ω_\ell= πc_\perp\ell/L$ ($\ell=1, 2, 3,...)$. Here, $c_\perp$ is the transverse sound speed and $L$ is the cell length. At resonance, large-amplitude sound waves appear after many cycles even for very small applied strains. They then induce plastic events, which are heterogeneous in space and intermittent on time scales longer than the oscillation period $2π/ω$. From these irreversible particle motions, there arises strong dissipation suppressing the growth of sounds. After many resonant cycles, we observe a phenomenon of forced aging, where the shear modulus (measured after switching off the oscillation) is increased significantly.Sometimes, exceptionally large plastic events and system-size sliding motions induce a transition from resonant to off-resonant states. At resonance, translational diffusion becomes appreciable as well as aging due to enhanced configurational changes.
We investigate avalanches associated with plastic rearrangements and the nature of structural change in the prototypical strong glass, silica, computationally. Although qualitative aspects of yielding in silica are similar to other glasses, we find that the statistics of avalanches exhibits non-trivial behaviour. Investigating the statistics of avalanches and clusters in detail, we propose and verify a new relation between exponents characterizing the size distribution of avalanches and clusters. Across the yielding transition, anomalous structural change and densification, associated with a s…
The microscopic deformation mechanism of charged colloidal glasses with extended-range interactions under shear is investigated by in-situ small-angle neutron scattering, and a dynamically correlated region (DCR) is identified. This short-lived region provides the resistance to the configurational rearrangement imposed by the external deformation, as evidenced by the evolution of the size of DCR in the shear thinning regime and the quantitative agreement between the local stress sustained by DCR and the macroscopic stress from rheological measurements at low and mediate shear rates. This findi…
We numerically study dynamics and correlation length scales of a colloidal liquid in both quiescent and sheared conditions to further understand the origin of slow dynamics and dynamic heterogeneity in glass-forming systems. The simulation is performed in a weakly frustrated two-dimensional liquid, where locally preferred order is allowed to develop with increasing density. The four-point density correlations and bond-orientation correlations, which have been frequently used to capture dynamic and static length scales $ξ$ in a quiescent condition, can be readily extended to a system under stea…
Molecular dynamics simulations are carried out to investigate mechanical properties and porous structure of binary glasses subjected to steady shear. The model vitreous systems were prepared via thermal quench at constant volume to a temperature well below the glass transition. The quiescent samples are characterized by a relatively narrow pore size distribution whose mean size is larger at lower glass densities. We find that in the linear regime of deformation, the shear modulus is a strong function of porosity, and the individual pores become slightly stretched while their structural topolog…
Numerical simulations of soft-core frictionless disks in two dimensions are carried out to study behavior of a simple liquid as a function of thermal temperature $T$, packing fraction $ϕ$, and uniform applied shear strain rate $\dotγ$. Inferring the hard-core limit from our soft-core results, we find that it depends on the two parameters $ϕ$ and $T/\dotγ$. $T/\dotγ\to 0$ defines the athermal limit in which a shear driven jamming transition occurs at a well defined $ϕ_J$. $T/\dotγ\to\infty$ defines the thermalized limit where an equilibrium glass transition may take place at a $ϕ_G$. This concl…
The rheology of non-colloidal suspensions under cyclic shear is studied numerically. The main findings are a strain amplitude ($γ_0$) dependent response in the shear stress and second normal stress difference ($N_2$). Specifically, we find a reduced viscosity, an enhanced intracycle shear thinning, the onset of a finite $N_2$ and its frequency doubling, all near a critical strain amplitude $γ_c$ that scales with the volume fraction $ϕ$ as $γ_c \sim ϕ^{-2}$. These rheological changes also signify a reversible-irreversible transition (RIT), dividing stroboscopic particle dynamics into a reversib…
We present simulations of an equilibrium statistical-mechanics model that uniformly samples the space of quiescent states of a periodically sheared suspension. In our simulations, we compute the structural properties of this model as a function of density. We compare the results of our simulations with the structural data obtained in the corresponding non-equilibrium model of Corté et al. [Nat. Phys. 4, 420 (2008)]. We find that the structural properties of the non-equilibrium model are very different from those of the equilibrium model, even though the two models have exactly the same set of …
Non-equilibrium molecular dynamics simulations are performed to investigate the dynamic behavior of three-dimensional binary glasses prepared via an instantaneous quench across the glass transition. We found that with increasing strain amplitude up to a critical value, the potential energy approaches lower minima in steady state, whereas the amplitude of shear stress oscillations becomes larger. Below the yielding transition, the storage modulus dominates the mechanical response, and the gradual decay of the potential energy over consecutive cycles is accompanied by reduction in size of transi…
String Model Predicts Relaxation in Sheared Glass-Forming Liquids
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences（中国科学院长春应用化学研究所）；University of Science and Technology of China（中国科学技术大学）；Institute of Mechanics, Chinese Academy of Sciences（中国科学院力学研究所）；University of Chinese Academy of Sciences（中国科学院大学）；National Institute of Standards and Technology（美国国家标准与技术研究院）；Shanghai Jiao Tong University（上海交通大学）；Shanghai Research Center for Quantum Sciences（上海量子科学研究中心）
In periodically sheared suspensions there is a dynamical phase transition characterized by a critical strain amplitude $γ_c$ between an absorbing state where particle trajectories are reversible and an active state where trajectories are chaotic and diffusive. Repulsive non-hydrodynamic interactions between "colliding" particles' surfaces have been proposed as a source of this broken time reversal symmetry. A simple toy model called Random Organization qualitatively reproduces the dynamical features of this transition. Random Organization and other absorbing state models exhibit hyperuniformit…
Reversibility, Chaos, and Attractors in Periodically Sheared Elastic Filaments
University of Perugia（佩鲁贾大学）；International Centre for Theoretical Sciences, Tata Institute of Fundamental Research（塔塔基础研究所国际理论科学中心）；PMMH-ESPCI, Université PSL, CNRS, Sorbonne Université, Université Paris Cité（巴黎高等物理化工学院国立科学研究中央机构索邦大学巴黎西岱大学）；University of California San Diego（加州大学圣地亚哥分校）
The rheology of dense Brownian suspensions of hard spheres is investigated numerically beyond the low shear rate Newtonian regime. We analyze an athermal analogue of these suspensions, with an effective logarithmic repulsive potential representing the vibrational entropic forces. We show that both systems present the same rheology without adjustable parameters. Moreover, all rheological responses display similar Herschel-Bulkley relations once the shear stress and the shear rate are respectively rescaled by a characteristic stress scale and by a microscopic reorganization time-scale, both rela…
By means of classical density functional theory and its dynamical extension, we consider a colloidal fluid with spherically-symmetric competing interactions, which are well known to exhibit a rich bulk phase behavior. This includes complex three-dimensional periodically ordered cluster phases such as lamellae, two-dimensional hexagonally packed cylinders, gyroid structures or spherical micelles. While the bulk phase behavior has been studied extensively in earlier work, in this paper we focus on such structures confined between planar repulsive walls under shear flow. For sufficiently high she…
One of the most ubiquitous and technologically important phenomena in nature is the nucleation of homogeneous flowing systems. The microscopic effects of shear on a nucleating system are still imperfectly understood, although in recent years a consistent picture has emerged. The opposing effects of shear can be split into two major contributions for simple liquids: increase of the energetic cost of nucleation, and enhancement of the kinetics. In this perspective, we describe the latest computational and theoretical techniques which have been developed over the past two decades. We collate and …
We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of particles organized into icosahedra under simple steady state shear. We recast this glassformer as an effective system of icosahedra [Pinney et al. J. Chem. Phys. 143 244507 (2015)]. From the observed population of icosahedra in each steady state, we obtain an effective temperature which is linearly dependent on the shear rate in the range considered. Upon shear banding, the system separates into a region of high shear rate and a region of low shear rate. The effective temperature…
The dynamics of structural relaxation in a model polymer glass subject to spatially-homogeneous, time-periodic shear deformation is investigated using molecular dynamics simulations. We study a coarse-grained bead-spring model of short polymer chains below the glass transition temperature. It is found that at small strain amplitudes, the segmental dynamics is nearly reversible over about $10^4$ cycles, while at strain amplitudes above a few percent, polymer chains become fully relaxed after a hundred cycles. At the critical strain amplitude, the transition from slow to fast relaxation dynamics…
Athermal disordered systems can exhibit a remarkable response to an applied oscillatory shear: after a relatively few shearing cycles, the system falls into a configuration that had already been visited in a previous cycle. After this point the system repeats its dynamics periodically despite undergoing many particle rearrangements during each cycle. We study the behavior of orbits as we approach the jamming point in simulations of jammed particles subject to oscillatory shear at fixed pressure and zero temperature. As the pressure is lowered, we find that it becomes more common for the system…
A variety of complex fluids under shear exhibit complex spatio-temporal behaviour, including what is now termed rheological chaos, at moderate values of the shear rate. Such chaos associated with rheological response occurs in regimes where the Reynolds number is very small. It must thus arise as a consequence of the coupling of the flow to internal structural variables describing the local state of the fluid. We propose a coupled map lattice (CML) model for such complex spatio-temporal behaviour in a passively sheared nematic liquid crystal, using local maps constructed so as to accurately de…
Much recent effort has focused on glassy and jamming properties of spherical particles. Very little is known about such phenomena for non-spherical particles, and we take a first step by studying ellipses. We find important differences between the dynamical and structural properties of disks and two-dimensional ellipses subject to continuous Couette shear. In particular, ellipses show slow dynamical evolution, without a counterpart in disks, in the mean velocity, local density, orientational order, and local stress. starting from an unjammed state, ellipses can first jam under shear, and then …
We combine the shear-transformation-zone (STZ) theory of amorphous plasticity with Edwards' statistical theory of granular materials to describe shear flow in a disordered system of thermalized hard spheres. The equations of motion for this system are developed within a statistical thermodynamic framework analogous to that which has been used in the analysis of molecular glasses. For hard spheres, the system volume $V$ replaces the internal energy $U$ as a function of entropy $S$ in conventional statistical mechanics. In place of the effective temperature, the compactivity $X = \partial V / \p…
Under applied shear strain, granular and amorphous materials deform via particle rearrangements, which can be small and localized or organized into system-spanning avalanches. While the statistical properties of avalanches under quasi-static shear are well-studied, the dynamics during avalanches is not. In numerical simulations of sheared soft spheres, we find that avalanches can be decomposed into bursts of localized deformations, which we identify using an extension of persistent homology methods. We also study the linear response of unstable systems during an avalanche, demonstrating that e…
We study the nonlinear rheology of a glass-forming binary mixture under the reversal of shear flow using molecular dynamics simulations and a schematic model of the mode-coupling theory of the glass transition (MCT). Memory effects lead to a history-dependent response, as exemplified by the vanishing of a stress-overshoot phenomenon in the stress--strain curves of the sheared liquid, and a change in the apparent elastic coefficients around states with zero stress. We investigate the various retarded contributions to the stress response at a given time schematically within MCT. The connection o…
Self-organization, and transitions from reversible to irreversible behaviour, of interacting particle assemblies driven by externally imposed stresses or deformation is of interest in comprehending diverse phenomena in soft matter. They have been investigated in a wide range of systems, such as colloidal suspensions, glasses, and granular matter. In different density and driving regimes, such behaviour is related to yielding of amorphous solids, jamming, and memory formation, \emph{etc.} How these phenomena are related to each other has not, however, been much studied. In order to obtain a uni…
Hard sphere colloidal particles are a basic model system for general research into phase behavior, ordering and out-equilibrium glass transitions. Experimentally it has been shown that oscillatory shearing of a monodisperse hard sphere glass, produces two different crystal orientations; a Face Centered Cubic (FCC) crystal with the close packed direction parallel to shear at high strains and an FCC crystal with the close packed direction perpendicular to shear at low strains. Here, using Brownian dynamics simulations of hard sphere particles, we have examined high volume fraction shear-induced …
We describe the shear flow of a disordered granular material in the presence of grain fracture using the shear-transformation-zone (STZ) theory of amorphous plasticity adapted to systems with a hard-core inter-particle interaction. To this end, we develop the equations of motion for this system within a statistical-thermodynamic framework analogous to that used in the analysis of molecular glasses. For hard-core systems, the amount of internal, configurational disorder is characterized by the compactivity $X = \partial V / \partial S_C$, where $V$ and $S_C$ are respectively the volume and conf…
Dense assemblies of self propelled particles, also known as active or living glasses are abundantaround us, covering different length and time scales: from the cytoplasm to tissues, from bacterialbio-films to vehicular traffic jams, from Janus colloids to animal herds. Being structurally disorderedas well as strongly out of equilibrium, these systems show fascinating dynamical and mechanicalproperties. Using extensive molecular dynamics simulation and a number of different dynamicaland mechanical order parameters we differentiate three dynamical steady states in a sheared modelactive glassy sy…
The influence of strain amplitude, glass stability and thermal fluctuations on shear band formation and yielding transition is studied using molecular dynamics simulations. The model binary mixture is first gradually cooled below the glass transition temperature and then periodically deformed to access a broad range of potential energy states. We find that the critical strain amplitude becomes larger for highly annealed glasses within about one thousand shear cycles. Moreover, upon continued loading at a fixed strain amplitude, the yielding transition is delayed in glasses mechanically anneale…
Understanding the yielding of glass-forming systems upon shearing is notoriously difficult since it is a strong non-equilibrium effect. Here we show that the concept of the potential energy landscape (PEL), developed for the quiescent state, can be extended to shearing. When introducing an appropriate coarse graining of the extended PEL for sheared systems, one can distinguish two fundamentally different types of plastic events, namely inherent structures (IS) vs. minimized structure (MS) transitions. We apply these concepts to non-cyclic and cyclic shearing of small systems, which allow us to…
The influence of cyclic loading and glass stability on structural relaxation and yielding transition in amorphous alloys was investigated using molecular dynamics simulations. We considered a binary mixture cooled deep into the glass phase and subjected to cyclic shear deformation where strain varies periodically but remains positive. We found that rapidly cooled glasses under asymmetric cyclic shear gradually evolve towards states with lower potential energy and finite stress at zero strain. At the strain amplitude just below a critical value, the rescaled distributions of nonaffine displacem…
When a disordered solid is sheared, yielding is followed by the onset of intermittent response that is characterized by slip in local regions usually labeled shear-transformation zones (STZ). Such intermittent response resembles the behavior of earthquakes or contact depinning, where a well-defined landscape of pinning disorder prohibits the deformation of an elastic medium. Nevertheless, a disordered solid is evidently different in that pinning barriers of particles are due to neighbors that are also subject to motion. Microscopic yielding leads to destruction of the local microstructure and …
Granular materials can fail through spontaneous events like earthquakes or brittle fracture. However, measurements and analytic models which forecast failure in this class of materials, while of both fundamental and practical interest, remain elusive. Materials including numerical packings of spheres, colloidal glasses, and granular materials have been known to develop an excess of low-frequency vibrational modes as the confining pressure is reduced. Here, we report experiments on sheared granular materials in which we monitor the evolving density of excited modes via passive monitoring of aco…
The effect of alternating shear orientation during cyclic loading on the relaxation dynamics in disordered solids is examined using molecular dynamics simulations. The model glass was initially prepared by rapid cooling from the liquid state and then subjected to cyclic shear along a single plane or periodically alternated in two or three dimensions. We showed that with increasing strain amplitude in the elastic range, the system is relocated to deeper energy minima. Remarkably, it was found that each additional alternation of the shear orientation in the deformation protocol brings the glass …
The influence of alternating shear orientation and strain amplitude of cyclic loading on yielding in amorphous solids is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture that was rapidly cooled well below the glass transition temperature and then subjected to oscillatory shear deformation. It was shown that periodic loading at strain amplitudes above the critical value first induces structural relaxation via irreversible displacements of clusters of atoms during a number of transient cycles, followed by an increase in potential energy due t…
