Sylvain Patinet

Soft spots and their structural signature in a metallic glass.

Significance This work demonstrates a structure–property correlation in metallic glasses for the community of amorphous solids. It associates geometrically unfavored motifs, i.e., those most disordered local polyhedral packing structures in a metallic glass, with the soft spots defined from the vibrational modes and correlates them with shear transformation zones composed of atoms with large nonaffine displacements. The statistical correlation established thus ties together the heterogeneity inherent in the amorphous structure with the spatial heterogeneity in the mechanical (elastic and plastic) properties of a metallic glass. In a 3D model mimicking realistic Cu64Zr36 metallic glass, we uncovered a direct link between the quasi-localized low-frequency vibrational modes and the local atomic packing structure. We also demonstrate that quasi-localized soft modes correlate strongly with fertile sites for shear transformations: geometrically unfavored motifs constitute the most flexible local environments that encourage soft modes and high propensity for shear transformations, whereas local configurations preferred in this alloy, i.e., the full icosahedra (around Cu) and Z16 Kasper polyhedra (around Zr), contribute the least.

Depinning transition for a screw dislocation in a model solid solution

On the basis of the classical dislocation theory, the solid solution hardening (SSH) is commonly ascribed to the pinning of the edge dislocations. At the atomic level, the theoretical study of the dislocation cores contrasts with such a prediction. Using the static molecular simulations with some interatomic effective potentials, we demonstrate numerically that the critical resolved shear stress associated with a screw dislocation in a random Ni(Al) single crystal has the same order as the edge one. Such a result is imposed by the details of the dislocation stacking fault and the core dissociation into Shockley partials. The SSH statistical theory is employed to tentatively predict analytically the data acquired through our atomistic simulations at different Al concentration.

Quantitative prediction of effective toughness at random heterogeneous interfaces.

The propagation of an adhesive crack through an anisotropic heterogeneous interface is considered. Tuning the local toughness distribution function and spatial correlation is numerically shown to induce a transition between weak to strong pinning conditions. While the macroscopic effective toughness is given by the mean local toughness in the case of weak pinning, a systematic toughness enhancement is observed for strong pinning (the critical point of the depinning transition). A self-consistent approximation is shown to account very accurately for this evolution, without any free parameter.

Finite size effects on crack front pinning at heterogeneous planar interfaces: Experimental, finite elements and perturbation approaches

Understanding the role played by the microstructure of materials on their macroscopic failure properties is an important challenge in solid mechanics. Indeed, when a crack propagates at a heterogeneous brittle interface, the front is trapped by tougher regions and deforms. This pinning induces non-linearities in the crack propagation problem, even within Linear Elastic Fracture Mechanics theory, and modifies the overall failure properties of the material. For example crack front pinning by tougher places could increase the fracture resistance of multilayer structures, with interesting technological applications. Analytical perturbation approaches, based on Bueckner-Rice elastic line models, focus on the crack front perturbations, hence allow for a description of these phenomena. Here, they are applied to experiments investigating the propagation of a purely interfacial crack in a simple toughness pattern: a single defect strip surrounded by homogeneous interface. We show that by taking into account the finite size of the body, quantitative agreement with experimental and finite elements results is achieved. In particular this method allows to predict the toughness contrast, i.e. the toughness difference between the single defect strip and its homogeneous surrounding medium. This opens the way to a more accurate use of the perturbation method to study more disordered heterogeneous materials, where the finite elements method is less adequate. From our results, we also propose a simple method to determine the adhesion energy of tough interfaces by measuring the crack front deformation induced by known interface patterns.

Dislocation pinning by substitutional impurities in an atomic-scale model for Al(Mg) solid solutions

We report our atomic-scale computations for the static depinning threshold of dislocations in Al(Mg) solid solutions. The interaction between the dislocations and the isolated obstacles is studied for different types of obstacle, i.e. single solute atoms situated at different positions, and solute dimers with different bond directions. Part of this work is used to apply different standard analytical theories for solid solution hardening, the predictions of which are finally compared with our direct atomic-scale simulations (AS) for dislocation depinning in random Al(Mg) solid solutions. According to our comparisons, the dislocation statistics in our AS is qualitatively well described by the Mott–Nabarro–Labusch theory. In agreement with earlier results about a different system, namely Ni(Al), the depinning thresholds are similar for the edge and for the screw dislocations.

From depinning transition to plastic yielding of amorphous media: A soft modes perspective

A mesoscopic model of amorphous plasticity is discussed in the context of depinning models. After embedding in a d+1-dimensional space, where the accumulated plastic strain lives along the additional dimension, the gradual plastic deformation of amorphous media can be regarded as the motion of an elastic manifold in a disordered landscape. While the associated depinning transition leads to scaling properties, the quadrupolar Eshelby interactions at play in amorphous plasticity induce specific additional features like shear-banding and weak ergodicity breakdown. The latters are shown to be controlled by the existence of soft modes of the elastic interaction, the consequence of which is discussed in the context of depinning.

Atomic-scale avalanche along a dislocation in a random alloy

The propagation of dislocations in random crystals is evidenced to be governed by atomic-scale avalanches whose the extension in space and the time intermittency characterizingly diverge at the critical threshold. Our work is the very first atomic-scale evidence that the paradigm of second order phase transitions applies to the depinning of elastic interfaces in random media.

Cracks in random brittle solids: - From fiber bundles to continuum mechanics

Statistical models are essential to get a better understanding of the role of disorder in brittle disordered solids. Fiber bundle models play a special role as a paradigm, with a very good balance of simplicity and non-trivial effects. We introduce here a variant of the fiber bundle model where the load is transferred among the fibers through a very compliant membrane. This Soft Membrane fiber bundle mode reduces to the classical Local Load Sharing fiber bundle model in 1D. Highlighting the continuum limit of the model allows to compute an equivalent toughness for the fiber bundle and hence discuss nucleation of a critical defect. The computation of the toughness allows for drawing a simple connection with crack front propagation (depinning) models.

Affordances and challenges of computational tools for supporting modeling and simulation practices

This mixed‐methods sequential explanatory design investigates disciplinary learning gains when engaging in modeling and simulation processes following a programming or a configuring approach. It also investigates the affordances and challenges that students encountered when engaged in these two approaches to modeling and simulation.

Faraday wave lattice as an elastic metamaterial.

Metamaterials enable the emergence of novel physical properties due to the existence of an underlying subwavelength structure. Here, we use the Faraday instability to shape the fluid-air interface with a regular pattern. This pattern undergoes an oscillating secondary instability and exhibits spontaneous vibrations that are analogous to transverse elastic waves. By locally forcing these waves, we fully characterize their dispersion relation and show that a Faraday pattern presents an effective shear elasticity. We propose a physical mechanism combining surface tension with the Faraday structured interface that quantitatively predicts the elastic wave phase speed, revealing that the liquid interface behaves as an elastic metamaterial.