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Spencer Fajardo

Publications and source records attributed to Spencer Fajardo.

4 recordsLinked to original sources

Quantifying the Features of an Amorphous Solid's Local Yield Surface

In two-dimensional Lennard-Jones glasses, mechanical probing reveals that local yield surfaces are dominated by regions with a positive second derivative of the yield stress with respect to the loading angle. Each feature corresponds to a shear transformation zone and a characteristic non-affine displacement field at yield. Most features are well described by a combined Schmid-Mohr-Coulomb criterion parameterized by a weak-plane orientation, a critical stress, and a pressure sensitivity. The resulting parameter statistics clarify how the onset of plastic flow is governed by the population of discrete yielding features encoded in the amorphous structure.

cond-mat.soft

Recent Advances in Metallic Glasses

This paper reviews recent advances in the field of metallic glasses, focusing on the development of novel experimental techniques and in silico models. We discuss progress in experimental characterization, additive manufacturing, multiscale modeling approaches, and the growing role of machine learning in understanding and designing these complex materials. On the experimental side, we highlight measurements of thermophysical properties of supercooled liquids via fast chip calorimetry and enhancements in mechanical properties through rejuvenation treatments. This work underscores the crucial role of short-range order and medium-range order in controlling metallic glass mechanical properties. Recent progress in structural probes allows in situ observations of deformation mechanisms, positioning the field well to further advance our understanding of mechanical properties. Additive manufacturing of metallic glasses is discussed as one encouraging new manufacturing route for metallic glasses. We examine laser powder-bed fusion process physics and the central trade-off between amorphicity and densification, including heat affected zone devitrification and defects formation, together with emerging mitigation strategies and applications. On the theoretical and simulation side, we review advances in nanoscale, mesoscale, and continuum modeling of metallic glasses that have led to promising approaches by which multiscale schemes can incorporate data sourced from atomic-scale simulations. These efforts have helped to elucidate the connection between the glass structure and mechanical and rheological responses. We also cover the development of machine learning interatomic potentials for metallic glasses, along with machine learning driven prediction of glass forming ability and inverse design methods. Finally, challenges and directions for future research are presented and discussed.

cond-mat.mtrl-sci

Topological characterization of rearrangements in amorphous solids

In amorphous materials, plasticity is localized and occurs as shear transformations. It was recently shown by Wu et al. that these shear transformations can be predicted by applying topological defect concepts developed for liquid crystals to an analysis of vibrational eigenmodes [Wu et al.; Nat. Com.,2023]. This study relates the -1 topological defects to the displacement fields expected of an Eshelby inclusion, which are characterized by an orientation and the magnitude of the eigenstrain. A corresponding orientation and magnitude can be defined for each defect using the local displacement field around each defect. These parameters characterize the plastic stress relaxation associated with the local structural rearrangement and can be extracted using the fit to either the global displacement field or the local field. Both methods provide a reasonable estimation of the MD-measured stress drop, confirming the localized nature of the displacements that control both long-range deformation and stress relaxation.

cond-mat.mes-hall

Quantifying the Structure of Disordered Materials

Durable interest in developing a framework for the detailed structure of glassy materials has produced numerous structural descriptors that trade off between general applicability and interpretability. However, none approach the combination of simplicity and wide-ranging predictive power of the lattice-grain-defect framework for crystalline materials. Working from the hypothesis that the local atomic environments of a glassy material are constrained by enthalpy minimization to a low-dimensional manifold in atomic coordinate space, we develop a novel generalized distance function, the Gaussian Integral Inner Product (GIIP) distance, in connection with agglomerative clustering and diffusion maps, to parameterize that manifold. Applying this approach to a two-dimensional model crystal and a three-dimensional binary model metallic glass results in parameters interpretable as coordination number, composition, volumetric strain, and local symmetry. In particular, we show that a more slowly quenched glass has a higher degree of local tetrahedral symmetry at the expense of cyclic symmetry. While these descriptors require post-hoc interpretation, they minimize bias rooted in crystalline materials science and illuminate a range of structural trends that might otherwise be missed.

cond-mat.dis-nn