arXiv subjects

Murari Singh

Publications and source records attributed to Murari Singh.

15 recordsLinked to original sources

arXiv2023

Disorder Induced Nonlinear Mode Coupling and Symmetry Breaking in Amorphous Solids

Applying very small purely radial strains on amorphous solids in radial geometry one observes elastic responses that break the radial symmetry. Without any plasticity involved, the responses indicate nonlinear mode coupling contributions even for minute strains. We show that these symmetry-breaking responses are due to disorder, typical to amorphous configurations. The symmetry breaking responses are quantitatively explained using the classical Michell solutions which are excited by mode coupling.

cond-mat.soft↗

arXiv2022

Anomalous Elasticity in Classical Glass-formers

Amorphous solids under mechanical strains are prone to plastic responses. Recent work showed that in amorphous granular system these plastic events, that are typically quadrupolar in nature, can screen the elastic response. When the density of the quadrupoles is high, the gradients of the quadrupole field act as emergent dipole sources, leading to qualitative changes in the mechanical response, as seen for example in the displacement field. In this paper we examine the effect of screening in classical glass formers. These are made of point particles that interact via binary forces. Both inverse power law forces and Lennard-Jones interactions are examined, and it is shown that in both cases the elastic response can be strongly screened, in agreement with the novel theory. The degree of deviation from classical elasticity theory is parameterized by a proposed new measure that is shown to have a functional dependence of on the amount of energy lost to plastic responses.

cond-mat.mtrl-sci↗

arXiv2021

Density of Quasi-localized Modes in Glasses: where are the Two-Level Systems?

The existence of a constant density of two-level systems (TLS) was proposed as the basis of some intriguing universal aspects of glasses at ultra-low temperatures. Here we ask whether their existence is necessary for explaining the universal density of states quasi-localized modes (QLM) in glasses at ultra-low temperatures. A careful examination of the QLM that exist in a generic atomistic model of a glass former reveals at least two types of them, each exhibiting a different density of states, one depending on the frequency as $ω^3$ and the other as $ω^4$. The properties of the glassy energy landscape that is responsible for the two types of modes is examined here, explaining the analytic feature responsible for the creations of (at least) two families of QLM's. Although adjacent wells certainly exist in the complex energy landscape of glasses, doubt is cast on the relevance of TLS for the universal density of QLM's.

cond-mat.stat-mech↗

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↗

arXiv2018

Efficient swap algorithms for molecular dynamics simulations of equilibrium supercooled liquids

It was recently demonstrated that a simple Monte Carlo (MC) algorithm involving the swap of particle pairs dramatically accelerates the equilibrium sampling of simulated supercooled liquids. We propose two numerical schemes integrating the efficiency of particle swaps into equilibrium molecular dynamics (MD) simulations. We first develop a hybrid MD/MC scheme combining molecular dynamics with the original swap Monte Carlo. We implement this hybrid method in LAMMPS, a software package employed by a large community of users. Secondly, we define a continuous time version of the swap algorithm where both the positions and diameters of the particles evolve via Hamilton's equations of motion. For both algorithms, we discuss in detail various technical issues as well as the optimisation of simulation parameters. We compare the numerical efficiency of all available swap algorithms and discuss their relative merits.

cond-mat.stat-mech↗

arXiv2018

On the protocol dependence of plasticity in ultra-stable amorphous solids

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, $\overline{Δγ}$, scaling like $N^α$ with $α$ 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.

cond-mat.soft↗

arXiv2017

How Generic are the Robust Theoretical Aspects of Jamming in Hard Sphere Models?

In very recent work the mean field theory of the jamming transition in infinite dimensional hard spheres models was presented. Surprisingly, this theory predicts quantitatively numerically determined characteristics of jamming in two and three dimensions. This is a rare and unusual finding. Here we argue that this agreement in non-generic: only for hard sphere models it happens that sufficiently close to jamming the effective interactions are in agreement with mean-field theory, justifying the truncation of many body interactions (which is the exact protocol in infinite dimensions). Any softening of the bare hard sphere interactions results in effective interactions that are not mean-field all the way to jamming, making the discussed phenomenon non generic.

cond-mat.soft↗

arXiv2017

Mechanical Failure in Amorphous Solids: Scale Free Spinodal Criticality

The mechanical failure of amorphous media is a ubiquitous phenomenon from material engineering to geology. It has been noticed for a long time that the phenomenon is "scale-free", indicating some type of criticality. In spite of attempts to invoke "Self-Organized Criticality", the physical origin of this criticality, and also its universal nature, being quite insensitive to the nature of microscopic interactions, remained elusive. Recently we proposed that the precise nature of this critical behavior is manifested by a spinodal point of a thermodynamic phase transition. Moreover, at the spinodal point there exists a divergent correlation length which is associated with the system-spanning instabilities (known also as shear bands) which are typical to the mechanical yield. Demonstrating this requires the introduction of an "order parameter" that is suitable for distinguishing between disordered amorphous systems, and an associated correlation function, suitable for picking up the growing correlation length. The theory, the order parameter, and the correlation functions used are universal in nature and can be applied to any amorphous solid that undergoes mechanical yield. Critical exponents for the correlation length divergence and the system size dependence are estimated. The phenomenon is seen at its sharpest in athermal systems, as is explained below; in this paper we extend the discussion also to thermal systems, showing that at sufficiently high temperatures the spinodal phenomenon is destroyed by thermal fluctuations.

cond-mat.dis-nn↗

arXiv2017

Shear bands as manifestation of a criticality in yielding amorphous solids

Amorphous solids increase their stress as a function of an applied strain until a mechanical yield point whereupon the stress cannot increase anymore, afterwards exhibiting a steady state with a constant mean stress. In stress controlled experiments the system simply breaks when pushed beyond this mean stress. The ubiquity of this phenomenon over a huge variety of amorphous solids calls for a generic theory that is free of microscopic details. Here we offer such a theory: the mechanical yield is a thermodynamic phase transition, where yield occurs as a spinodal phenomenon. At the spinodal point there exists a divergent correlation length which is associated with the system-spanning instabilities (known also as shear bands) which are typical to the mechanical yield. The theory, the order parameter used and the correlation functions which exhibit the divergent correlation length are universal in nature and can be applied to any amorphous solids that undergo mechanical yield.

cond-mat.dis-nn↗

arXiv2016

Statistics of Plastic Events in Post-Yield Strain-Controlled Amorphous Solids

Amorphous solids yield in strain-controlled protocols at a critical value of the strain. For larger strains the stress and energy display a generic complex serrated signal with elastic segments punctuated by sharp energy and stress plastic drops having a wide range of magnitudes. Here we provide a theory of the scaling properties of such serrated signals taking into account the system-size dependence. We show that the statistics are not homogeneous - they separate sharply to a regime of `small' and `large' drops, each endowed with its own scaling properties. A scaling theory is first derived solely by data analysis, showing a somewhat complex picture. But after considering the physical interpretation one discovers that the scaling behavior and the scaling exponents are in fact very simple and universal.

cond-mat.soft↗

arXiv2016

Breakdown of Nonlinear Elasticity in Amorphous Solids at Finite Temperatures

It is known by now that amorphous solids at zero temperature do not possess a nonlinear elasticity theory: besides the shear modulus which exists, all the higher order coefficients do not exist in the thermodynamic limit. Here we show that the same phenomenon persists up to temperatures comparable to the glass transition. The zero temperature mechanism due to the prevalence of dangerous plastic modes of the Hessian matrix is replaced by anomalous stress fluctuations that lead to the divergence of the variances of the higher order elastic coefficients. The conclusion is that in amorphous solids elasticity can never be decoupled from plasticity: the nonlinear response is very substantially plastic.

cond-mat.soft↗

arXiv2016

Elasticity in Amorphous Solids: Nonlinear or Piece-Wise Linear?

Quasi-static strain-controlled measurements of stress vs strain curves in macroscopic amorphous solids result in a nonlinear looking curve that ends up either in mechanical collapse or in a steady-state with fluctuations around a mean stress that remains constant with increasing strain. It is therefore very tempting to fit a nonlinear expansion of the stress in powers of the strain. We argue here that at low temperatures the meaning of such an expansion needs to be reconsidered. We point out the enormous difference between quenched and annealed averages of the stress vs. strain curves, and propose that a useful description of the mechanical response is given by a stress (or strain) dependent shear modulus for which a theoretical evaluation exists. The elastic response is piece-wise linear rather than nonlinear.

cond-mat.soft↗

arXiv2016

Mechanical Yield in Amorphous Solids: a First-Order Phase Transition

Amorphous solids yield at a critical value of the strain (in strain controlled experiments); for larger strains the average stress can no longer increase - the system displays an elasto-plastic steady state. A long standing riddle in the materials community is what is the difference between the microscopic states of the material before and after yield. Explanations in the literature are material specific, but the universality of the phenomenon begs a universal answer. We argue here that there is no fundamental difference in the states of matter before and after yield, but the yield is a bona-fide first order phase transition between a highly restricted set of possible configurations residing in a small region of phase space to a vastly rich set of configurations which include many marginally stable ones. To show this we employ an order parameter of universal applicability, independent of the microscopic interactions, that is successful in quantifying the transition in an unambiguous manner.

cond-mat.soft↗

arXiv2015

The yield of Amorphous Solids Under Stress Control at Low Temperatures

The yield of amorphous solids like metallic glasses under external stress was discussed asserting that it is related to the glass transition by increasing temperature, or that it can be understood using statistical theories of various sorts. Here we study the approach to stress-controlled yield and argue that neither assertions can be supported, at least at low temperatures. The yield of amorphous solids at low temperatures is a highly structured phenomenon, characterized by a specific series of mechanical instabilities, and having no similarity at all to fluidization by increased temperature, real or fictive. The series of instabilities followed by stress controlled yield at low but finite temperature protocols can be predicted by analyzing athermal quasi-static strain controlled protocols, making the latter highly relevant for the deep understanding of the mechanical properties of amorphous solids.

cond-mat.soft↗

arXiv2010

Relationship between Structure, Entropy and Diffusivity in Water and Water-like Liquids

Anomalous behaviour of the excess entropy ($S_e$) and the associated scaling relationship with diffusivity are compared in liquids with very different underlying interactions but similar water-like anomalies: water (SPC/E and TIP3P models), tetrahedral ionic melts (SiO$_2$ and BeF$_2$) and a fluid with core-softened, two-scale ramp (2SRP) interactions. We demonstrate the presence of an excess entropy anomaly in the two water models. Using length and energy scales appropriate for onset of anomalous behaviour, the density range of the excess entropy anomaly is shown to be much narrower in water than in ionic melts or the 2SRP fluid. While the reduced diffusivities ($D^*$) conform to the excess entropy scaling relation, $D^* =A\exp (αS_e)$ for all the systems (Y. Rosenfeld, Phys. Rev. A {\bf 1977}, {\it 15}, 2545), the exponential scaling parameter, $α$, shows a small isochore-dependence in the case of water. Replacing $S_e$ by pair correlation-based approximants accentuates the isochore-dependence of the diffusivity scaling. Isochores with similar diffusivity scaling parameters are shown to have the temperature dependence of the corresponding entropic contribution. The relationship between diffusivity, excess entropy and pair correlation approximants to the excess entropy are very similar in all the tetrahedral liquids.

cond-mat.soft↗