arXiv subjects

Jean-Louis Barrat

Publications and source records attributed to Jean-Louis Barrat.

At least 73 records · Page 4Linked to original sources

arXiv2013

Measuring Spatial Distribution of Local Elastic Modulus in Glasses

Glasses exhibit spatially inhomogeneous elastic properties, which can be investigated by measuring their elastic moduli at a local scale. Various methods to evaluate the local elastic modulus have been proposed in the literature. A first possibility is to measure the local stress-local strain curve and to obtain the local elastic modulus from the slope of the curve, or equivalently to use a local fluctuation formula. Another possible route is to assume an affine strain and to use the applied global strain instead of the local strain for the calculation of the local modulus. Most recently a third technique has been introduced, which is easy to be implemented and has the advantage of low computational cost. In this contribution, we compare these three approaches by using the same model glass and reveal the differences among them caused by the non-affine deformations.

cond-mat.soft↗

arXiv2013

Spatial cooperativity in microchannel flows of soft jammed materials: A mesoscopic approach

The flow of amorphous solids results from a combination of elastic deformation and local structural rearrangements, which induce non-local elastic deformations. These elements are incorporated into a mechanically-consistent mesoscopic model of interacting elastoplastic blocks. We investigate the specific case of channel flow with numerical simulations, paying particular attention to situations of strong confinement. We find that the simple picture of plastic events embedded in an elastic matrix successfully accounts for manifestations of spatial cooperativity. Shear rate fluctuations are observed in seemingly quiescent regions, and the velocity profiles in confined flows at high applied pressure deviate from those expected in the absence of non-local effects, in agreement with experimental data. However, we suggest a different physical origin for the large deviations observed when walls have rough surfaces, associated with "bumps" of the particles against the asperities of the walls.

cond-mat.soft↗

arXiv2012

Shear flow of non-Brownian suspensions close to jamming

The dynamical mechanisms controlling the rheology of dense suspensions close to jamming are investigated numerically, using simplified models for the relevant dissipative forces. We show that the velocity fluctuations control the dissipation rate and therefore the effective viscosity of the suspension. These fluctuations are similar in quasi-static simulations and for finite strain rate calculations with various damping schemes. We conclude that the statistical properties of grain trajectories -- in particular the critical exponent of velocity fluctuations with respect to volume fraction ϕ-- only weakly depend on the dissipation mechanism. Rather they are determined by steric effects, which are the main driving forces in the quasistatic simulations. The critical exponent of the suspension viscosity with respect to ϕcan then be deduced, and is consistent with experimental data.

cond-mat.soft↗

arXiv2012

Spontaneous formation of permanent shear bands in a mesoscopic model of flowing disordered matter

This study proposes a coherent scenario of the formation of permanent shear bands in the flow of yield stress materials. It is a well accepted point of view that flow in disordered media is occurring via local plastic events, corresponding to small size rearrangements, that yield a long range stress redistribution over the system. Within a minimalistic mesoscopic model that incorporates these local dynamics, we study the spatial organisation of the local plastic events. The most important parameter in this study is the typical restructuring time needed to regain the original structure after a local rearrangement. In agreement with a recent mean field study [Coussot \textit{et al., Eur. Phys. J. E}, 2010, \textbf{33}, 183] we observe a spontaneous formation of permanent shear bands, when this restructuring time is large compared to the typical stress release time in a rearrangement. The bands consist of a large number of plastic events within a solid region that remains elastic. This heterogeneous flow behaviour is different in nature from the transient dynamical heterogeneities that one observes in the small shear rate limit in flow without shear-banding [Martens \textit{et al., Phys. Rev. Lett.}, 2011, \textbf{106}, 156001]. We analyse in detail the dependence of the shear bands on system size, shear rate and restructuring time. Further we rationalise the scenario within a mean field version of the spatial model, that produces a non monotonous flow curve for large restructuring times. This explains the instability of the homogeneous flow below a critical shear rate, that corresponds to the minimum of the curve. Our study therefore strongly supports the idea that the characteristic time scales involved in the local dynamics are at the physical origin of permanent shear bands.

cond-mat.soft↗

arXiv2012

Nanoscale buckling deformation in layered copolymer materials

In layered materials, a common mode of deformation involves buckling of the layers under tensile deformation in the direction perpendicular to the layers. The instability mechanism, which operates in elastic materials from geological to nanometer scales, involves the elastic contrast between different layers. In a regular stacking of "hard" and "soft" layers, the tensile stress is first accommodated by a large deformation of the soft layers. The inhibited Poisson contraction results in a compressive stress in the direction transverse to the tensile deformation axis. The hard layers sustain this transverse compression until buckling takes place and results in an undulated structure. Using molecular simulations, we demonstrate this scenario for a material made of triblock copolymers. The buckling deformation is observed to take place at the nanoscale, at a wavelength that depends on strain rate. In contrast to what is commonly assumed, the wavelength of the undulation is not determined by defects in the microstructure. Rather, it results from kinetic effects, with a competition between the rate of strain and the growth rate of the instability. http://www.pnas.org/content/early/2011/12/23/1111367109.abstract

cond-mat.mtrl-sci↗

arXiv2011

Predictors of cavitation in glassy polymers under tensile strain: a coarse grained molecular dynamics investigation

The nucleation of cavities in a homogenous polymer under tensile strain is investigated in a coarse-grained molecular dynamics simulation. In order to establish a causal relation between local microstructure and the onset of cavitation, a detailed analysis of some local properties is presented. In contrast to common assumptions, the nucleation of a cavity is neither correlated to a local loss of density nor, to the stress at the atomic scale and nor to the chain ends density in the undeformed state. Instead, a cavity in glassy polymers nucleates in regions that display a low bulk elastic modulus. This criterion allows one to predict the cavity position before the cavitation occurs. Even if the localization of a cavity is not directly predictable from the initial configuration, the elastically weak zones identified in the initial state emerge as favorite spots for cavity formation.

cond-mat.mtrl-sci↗

arXiv2011

Heat conduction across molecular junctions between nanoparticles

We investigate the problem of heat conduction across a molecular junction connecting two nanoparticles, both in vacuum and in a liquid environment, using classical molecular dynamics simulations. In vacuum, the well-known result of a length independent conductance is recovered; its precise value, however, is found to depend sensitively on the overlap between the vibrational spectrum of the junction and the density of states of the nanoparticles that act as thermal contacts. In a liquid environment, the conductance is constant up to a crossover length, above which a standard Fourier regime is recovered.

cond-mat.mtrl-sci↗

arXiv2011

Portable implementation of a quantum thermal bath for molecular dynamics simulations

Recently, Dammak and coworkers (H. Dammak, Y. Chalopin, M. Laroche, M. Hayoun, and J.J. Greffet. Quantumthermal bath for molecular dynamics simulation. Phys. Rev. Lett., 103:190601, 2009.) proposed that the quantum statistics of vibrations in condensed systems at low temperature could be simulated by running molecular dynamics simulations in the presence of a colored noise with an appropriate power spectral density. In the present contribution, we show how this method can be implemented in a flexible manner and at a low computational cost by synthesizing the corresponding noise 'on the fly'. The proposed algorithm is tested for a simple harmonic chain as well as for a more realistic model of aluminium crystal. The energy and Debye-Waller factor are shown to be in good agreement with those obtained from harmonic approximations based on the phonon spectrum of the systems. The limitations of the method associated with anharmonic effects are also briefly discussed. Some perspectives for disordered materials and heat transfer are considered.

cond-mat.mtrl-sci↗

arXiv2011

Connecting diffusion and dynamical heterogeneities in actively deformed amorphous systems

We present an extensive numerical study of dynamical heterogeneities and their influence on diffusion in an athermal mesoscopic model for actively deformed amorphous solids. At low strain rates the stress dynamics are governed by cooperative regions of plastic events. On the basis of scaling arguments as well as an extensive numerical study of an athermal elasto-plastic model, we show that there is a direct link between the self-diffusion coefficient and the size of cooperative regions at low strain rates. Both depend strongly on rate and on system size. A measure of the mean square displacement of passive tracers in deformed amorphous media thus gives information about the microscopic rheology, such as the geometry of the cooperative regions and their scaling with strain rate and system size.

cond-mat.mtrl-sci↗

arXiv2011

Effective temperatures of a heated Brownian particle

We investigate various possible definitions of an effective temperature for a particularly simple nonequilibrium stationary system, namely a heated Brownian particle suspended in a fluid. The effective temperature based on the fluctuation dissipation ratio depends on the time scale under consideration, so that a simple Langevin description of the heated particle is impossible. The short and long time limits of this effective temperature are shown to be consistent with the temperatures estimated from the kinetic energy and Einstein relation, respectively. The fluctuation theorem provides still another definition of the temperature, which is shown to coincide with the short time value of the fluctuation dissipation ratio.

cond-mat.stat-mech↗

arXiv2010

Fluctuations and correlations during the shear flow of elastic particles near the jamming transition

We present a numerical study of the flow of an assembly of frictionless soft discs at zero temperature, in the vicinity of and slightly above the jamming density. We find that some of the flow properties, such as the fluctuations in the number of contacts or the shear modulus, display a critical like behaviour that is governed by the proximity to the jamming point. Dynamical correlations during a quasistatic deformation, however, are non critical and dominated by system size. At finite strain rates, these dynamical correlations acquire a finite, strain-rate dependent amplitude, that decreases when approaching the jamming point from above.

cond-mat.mtrl-sci↗

arXiv2010

Superdiffusive, heterogeneous, and collective particle motion near the jamming transition in athermal disordered materials

We use computer simulations to study the microscopic dynamics of an athermal assembly of soft particles near the fluid-to-solid, jamming transition. Borrowing tools developed to study dynamic heterogeneity near glass transitions, we discover a number of original signatures of the jamming transition at the particle scale. We observe superdiffusive, spatially heterogeneous, and collective particle motion over a characteristic scale which displays a surprising non-monotonic behavior across the transition. In the solid phase, the dynamics is an intermittent succession of elastic deformations and plastic relaxations, which are both characterized by scale-free spatial correlations and system size dependent dynamic susceptibilities. Our results show that dynamic heterogeneities in dense athermal systems and glass-formers are very different, and shed light on recent experimental reports of `anomalous' dynamical behavior near the jamming transition of granular and colloidal assemblies.

cond-mat.mtrl-sci↗

arXiv2010

Molecular dynamics simulations of glassy polymers

We review recent results from computer simulation studies of polymer glasses, from chain dynamics around the glass transition temperature Tg to the mechanical behaviour below Tg. These results clearly show that modern computer simulations are able to address and give clear answers to some important issues in the field, in spite of the obvious limitations in terms of length and time scales. In the present review we discuss the cooling rate effects, and dynamic slowing down of different relaxation processes when approaching Tg for both model and chemistry-specific polymer glasses. The impact of geometric confinement on the glass transition is discussed in detail. We also show that computer simulations are very useful tools to study structure and mechanical response of glassy polymers. The influence of large deformations on mechanical behaviour of polymer glasses in general, and strain hardening effect in particular are reviewed. Finally, we suggest some directions for future research, which we believe will be soon within the capabilities of state of the art computer simulations, and correspond to problems of fundamental interest.

cond-mat.mtrl-sci↗

arXiv2009

Local elasticity map and plasticity in a model Lennard-Jones glass

In this work we calculate the local elastic moduli in a weakly polydisperse 2DLennard-Jones glass undergoing a quasistatic shear deformation at zero temperature. The numerical method uses coarse grained microscopic expressions for the strain, displacement and stress fields. This method allows us to calculate the local elasticity tensor and to quantify the deviation from linear elasticity (local Hooke's law) at different coarse-graining scales. From the results a clear picture emerges of an amorphous material with strongly spatially heterogeneous elastic moduli that simultaneously satisfies Hooke's law at scales larger than a characteristic length scale of the order of five interatomic distances. At this scale the glass appears as a composite material composed of a rigid scaffoldingand of soft zones. Only recently calculated in non homogeneous materials, the local elastic structure plays a crucial role in the elasto-plastic response of the amorphous material. For a small macroscopic shear strain the structures associated with the non-affine displacement field appear directly related to the spatial structure of the elastic moduli. Moreover for a larger macroscopic shear strain we show that zones of low shear modulus concentrate most of the strain in form of plastic rearrangements. The spatio-temporal evolution of this local elasticity map and its connection with long term dynamical heterogeneity as well as with the plasticity in the material is quantified. The possibility to use this local parameter as a predictor of subsequent local plastic activity is also discussed.

cond-mat.soft↗

arXiv2009

The jamming transition as probed by quasistatic shear flow

We study the rheology of amorphous packings of soft, frictionless particles close to jamming. Implementing a quasistatic simulation method we generate a well defined ensemble of states that directly samples the system at its yield-stress. A continuous jamming transition from a freely-flowing state to a yield stress situation takes place at a well defined packing fraction, where the scaling laws characteristic of isostatic solids are observed. We propose that long-range correlations observed below the transition are dominated by this isostatic point, while those that are observed above the transition are characteristic of dense, disordered elastic media.

cond-mat.soft↗

arXiv2008

Shear Induced Structural Ordering of a Model Metallic Glass

We report results of non-equilibrium molecular dynamics simulations of a one-component glassy system under the influence of a shear flow, with the aim of investigating shear induced ordering of this system. In spite of the very low temperature, the system transforms into a strained crystalline state through well defined nucleation events. Various characteristics of the observed ordering at different strain rates and temperatures are discussed. We also define and discuss the transition rates.

cond-mat.mtrl-sci↗

arXiv2008

Time dependent correlations in a supercooled liquid from nonlinear fluctuating hydrodynamics

We solve numerically the equations of nonlinear fluctuating hydrodynamics (NFH) for the supercooled liquid. The time correlation of the density fluctuations in equilibrium obtained here shows quantitative agreement with molecular dynamics(MD) simulation data. We demonstrate numerically that the 1/rho nonlinearity in the NFH equations of motion is essential in restoring the ergodic behavior in the liquid. Under nonequilibrium conditions the time correlation functions relax in a manner similar to that observed in the molecular dynamics simulations in binary mixtures. The waiting time t_w dependence of the non-equilibrium response function follows a Modified Kohlrausch-Williams-Watts(MKWW) form similar to the behavior seen in dielectric relaxation data.

cond-mat.soft↗

arXiv2008

Critical heat flux around strongly-heated nanoparticles

We study heat transfer from a heated nanoparticle into surrounding fluid, using molecular dynamics simulations. We show that the fluid next to the nanoparticle can be heated well above its boiling point without a phase change. Under increasing nanoparticle temperature, the heat flux saturates which is in sharp contrast with the case of flat interfaces, where a critical heat flux is observed followed by development of a vapor layer and heat flux drop. These differences in heat transfer are explained by the curvature induced pressure close to the nanoparticle, which inhibits boiling. When the nanoparticle temperature is much larger than the critical fluid temperature, a very large temperature gradient develops resulting in close to ambient temperature just radius away from the particle surface

cond-mat.mtrl-sci↗