arXiv subjects

Michel Perez

Publications and source records attributed to Michel Perez.

9 recordsLinked to original sources

arXiv2025

Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations

The activation entropy of dislocation glide, a key process controlling the strength of many metals, is often assumed to be constant or linked to enthalpy through the empirical Meyer-Neldel law-both of which are simplified approximations. In this study, we take a more direct approach by calculating the activation Gibbs energy for kink-pair nucleation on screw dislocations of two body-centered cubic metals, iron and tungsten. To ensure reliability, we develop machine learning interatomic potentials for both metals, carefully trained on dislocation data from density functional theory. Our findings reveal that dislocations undergo harmonic transitions between Peierls valleys, with an activation entropy that remains largely constant, regardless of temperature or applied stress. We use these results to parameterize a thermally-activated model of yield stress, which consistently matches experimental data in both iron and tungsten. Our work challenges recent studies using classical potentials, which report highly varying activation entropies, and suggests that simulations relying on classical potentials-widely used in materials modeling-could be significantly influenced by overestimated entropic effects.

cond-mat.mtrl-sci↗

arXiv2024

Dissecting physics of carbon ordering in bcc iron

Zener ordering is a phenomenon that octahedral interstitial atoms such as carbon occupy the same sublattice inside bcc matrix such as iron. The original formulation relies on a mean field theory, which is still most in use today. We employ multiple methods, such as Molecular Dynamics, Metropolis Monte Carlo, Mean Field Theory with chemical interactions and finite temperature effects to show that the Zener ordering for iron carbon systems is governed by local chemical interactions and finite temperature effects and less of mean field nature as described originally by Zener.

cond-mat.mtrl-sci↗

arXiv2022

Distributed Feedback Optimisation for Robotic Coordination

Feedback optimisation is an emerging technique aiming at steering a system to an optimal steady state for a given objective function. We show that it is possible to employ this control strategy in a distributed manner. Moreover, we prove asymptotic convergence to the set of optimal configurations. To this scope, we show that exponential stability is needed only for the portion of the state that affects the objective function. This is showcased by driving a swarm of agents towards a target location while maintaining a target formation. Finally, we provide a sufficient condition on the topological structure of the specified formation to guarantee convergence of the swarm in formation around the target location.

math.OC↗

arXiv2021

Implementing efficient balanced networks with mixed-signal spike-based learning circuits

Efficient Balanced Networks (EBNs) are networks of spiking neurons in which excitatory and inhibitory synaptic currents are balanced on a short timescale, leading to desirable coding properties such as high encoding precision, low firing rates, and distributed information representation. It is for these benefits that it would be desirable to implement such networks in low-power neuromorphic processors. However, the degree of device mismatch in analog mixed-signal neuromorphic circuits renders the use of pre-trained EBNs challenging, if not impossible. To overcome this issue, we developed a novel local learning rule suitable for on-chip implementation that drives a randomly connected network of spiking neurons into a tightly balanced regime. Here we present the integrated circuits that implement this rule and demonstrate their expected behaviour in low-level circuit simulations. Our proposed method paves the way towards a system-level implementation of tightly balanced networks on analog mixed-signal neuromorphic hardware. Thanks to their coding properties and sparse activity, neuromorphic electronic EBNs will be ideally suited for extreme-edge computing applications that require low-latency, ultra-low power consumption and which cannot rely on cloud computing for data processing.

cs.ET↗

arXiv2013

Nano-scale buckling in lamellar block polymers: a molecular dynamics simulation approach

Oriented block copolymers exhibit a buckling instability when submitted to a tensile test perpendicular to the lamellae direction. In this paper we study this behavior using a coarse grained molecular dynamics simulation approach. Coarse grained models of lamellar copolymers with alternate glassy rubbery layers are generated using the Radical Like Polymerization method, and their mechanical response is studied. For large enough systems, uniaxial tensile tests perpendicular to the direction of the lamellae reveal the occurrence of the buckling instability at low strain. The results that emerge from molecular simulation are compared to an elastic theory of the buckling instability introduced by Read and coworkers. At high strain rates, significant differences are observed between elastic theory and simulation results for the buckling strain and the buckling wavelength. We explain this difference by the strain rate dependence of the mechanical response. A simple model that takes into account the influence of the strain rate in the mechanical response is presented to rationalize the results at low and moderate strain rates. At very high strain rates, cavitation takes place in the rubbery phase of the sample and limits the validity of the approach.

cond-mat.mtrl-sci↗

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↗

arXiv2008

Dislocation interaction with C in alpha-Fe: a comparison between atomic simulations and elasticity theory

The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic simulations are compared with predictions of elasticity theory. It is shown that a quantitative agreement can be obtained between both modelling techniques as long as anisotropic elastic calculations are performed and both the dilatation and the tetragonal distortion induced by the C interstitial are considered. Using isotropic elasticity allows to predict the main trends of the interaction and considering only the interstitial dilatation will lead to a wrong interaction.

cond-mat.mtrl-sci↗

arXiv2007

Polymer chain generation for coarse-grained models using radical-like polymerization

An innovative method is proposed to generate configurations of coarse grained models for polymer melts. This method, largely inspired by chemical ``radical polymerization'', is divided in three stages: (i) nucleation of radicals (reacting molecules caching monomers); (ii) growth of chains within a solvent of monomers; (iii) termination: annihilation of radicals and removal of residual monomers. The main interest of this method is that relaxation is performed as chains are generated. Pure mono and poly-disperse polymers melts are generated and compared to the configurations generated by the Push Off method from Auhl et al.. A detailed study of the static properties (gyration radius, mean square internal distance, entanglement length) confirms that the radical-like polymerization technics is suitable to generate equilibrated melts. The method is flexible, and can be adapted to generate nano-structured polymers, namely diblock and triblock copolymers.

cond-mat.stat-mech↗