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Register a new userPredicting plasticity in disordered solids from structural indicators
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Amorphous solids lack long-range order. Therefore identifying structural defects -- akin to dislocations in crystalline solids -- that carry plastic flow in these systems remains a daunting challenge. By comparing many different structural indicators in computational models of glasses, under a variety of conditions we carefully assess which of these indicators are able to robustly identify the structural defects responsible for plastic flow in amorphous solids. We further demonstrate that the density of defects changes as a function of material preparation and strain in a manner that is highly correlated with the macroscopic material response. Our work represents an important step towards predicting how and when an amorphous solid will fail from its microscopic structure.
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While perfect crystals may exhibit a purely elastic response to shear all the way to yielding, the response of amorphous solids is punctuated by plastic events. The prevalence of this plasticity depends on the number of particles $N$ of the system, with the average strain interval before the first plastic event, $overline{Deltagamma}$, scaling like $N^alpha$ with $alpha$ negative: larger samples are more susceptible to plasticity due to more numerous disorder-induced soft spots. In this paper we examine this scaling relation in ultra-stable glasses prepared with the Swap Monte Carlo algorithm, with regard to the possibility of protocol-dependent scaling exponent, which would also imply a protocol dependence in the distribution of local yield stresses in the glass. We show that, while a superficial analysis seems to corroborate this hypothesis, this is only a pre-asymptotic effect and in fact our data can be well explained by a simple model wherein such protocol dependence is absent.
In soft amorphous materials, shear cessation after large shear deformation leads to structures having residual shear stress. The origin of these states and the distribution of the local shear stresses within the material is not well understood, despite its importance for the change in material properties and consequent applications. In this work, we use molecular dynamics simulations of a model dense non-Brownian soft amorphous material to probe the non-trivial relaxation process towards a residual stress state. We find that, similar to thermal glasses, an increase in shear rate prior to the shear cessation leads to lower residual stress states. We rationalise our findings using a mesoscopic elasto-plastic description that explicitly includes a long range elastic response to local shear transformations. We find that after flow cessation the initial stress relaxation indeed depends on the pre-sheared stress state, but the final residual stress is majorly determined by newly activated plastic events occurring during the relaxation process. Our simplified coarse grained description not only allows to capture the phenomenology of residual stress states but also to rationalise the altered material properties that are probed using small and large deformation protocols applied to the relaxed material.
Disordered solids respond to quasistatic shear with intermittent avalanches of plastic activity, an example of the crackling noise observed in many nonequilibrium critical systems. The temporal power spectrum of activity within disordered solids consists of three distinct domains: a novel power-law rise with frequency at low frequencies indicating anticorrelation, white-noise at intermediate frequencies, and a power-law decay at high frequencies. As the strain rate increases, the white-noise regime shrinks and ultimately disappears as the finite strain rate restricts the maximum size of an avalanche. A new strain-rate- and system-size-dependent scaling theory is derived for power spectra in both the quasistatic and finite-strain-rate regimes. This theory is validated using data from overdamped two- and three-dimensional molecular dynamics simulations. We identify important exponents in the yielding transition including the dynamic exponent $z$ which relates the size of an avalanche to its duration, the fractal dimension of avalanches, and the exponent characterizing the divergence in correlations with strain rate. Results are related to temporal correlations within a single avalanche and between multiple avalanches.
Paradigmatic model systems, which are used to study the mechanical response of matter, are random networks of point-atoms, random sphere packings, or simple crystal lattices, all of these models assume central-force interactions between particles/atoms. Each of these models differs in the spatial arrangement and the correlations among particles. In turn, this is reflected in the widely different behaviours of the shear (G) and compression (K) elastic moduli. The relation between the macroscopic elasticity as encoded in G, K and their ratio, and the microscopic lattice structure/order, is not understood. We provide a quantitative analytical connection between the local orientational order and the elasticity in model amorphous solids with different internal microstructure, focusing on the two opposite limits of packings (strong excluded-volume) and networks (no excluded-volume). The theory predicts that, in packings, the local orientational order due to excluded-volume causes less nonaffinity (less softness or larger stiffness) under compression than under shear. This leads to lower values of G/K, a well-documented phenomenon which was lacking a microscopic explanation. The theory also provides an excellent one-parameter description of the elasticity of compressed emulsions in comparison with experimental data over a broad range of packing fractions.
Rate-effects in sheared disordered solids are studied using molecular dynamics simulations of binary Lennard-Jones glasses in two and three dimensions. In the quasistatic (QS) regime, systems exhibit critical behavior: the magnitudes of avalanches are power-law distributed with a maximum cutoff that diverges with increasing system size $L$. With increasing rate, systems move away from the critical yielding point and the average flow stress rises as a power of the strain rate with exponent $1/beta$, the Herschel-Bulkley exponent. Finite-size scaling collapses of the stress are used to measure $beta$ as well as the exponent $ u$ which characterizes the divergence of the correlation length. The stress and kinetic energy per particle experience fluctuations with strain that scale as $L^{-d/2}$. As the largest avalanche in a system scales as $L^alpha$, this implies $alpha < d/2$. The diffusion rate of particles diverges as a power of decreasing rate before saturating in the QS regime. A scaling theory for the diffusion is derived using the QS avalanche rate distribution and generalized to the finite strain rate regime. This theory is used to collapse curves for different system sizes and confirm $beta/ u$.
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