Related papers: Predicting orientation-dependent plastic susceptib…
We have implemented a complex network description for metallic glasses, able to predict the elasto-plastic regime, the location of shear bands and the statistics that controls the plastic events that originate in the material due to a…
It was recently shown that vortex-like topological defects with negative winding number in the vibrational modes of a two-dimensional glass under quasistatic shear correlate strongly with plastic events, offering a promising route to…
Materials property predictions have improved from advances in machine learning algorithms, delivering materials discoveries and novel insights through data-driven models of structure-property relationships. Nearly all available models rely…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
Dynamic heterogeneity in glass-formers has been related to their static structure using the concept of dynamic propensity. We re-examine this relationship by analyzing dynamical fluctuations in two atomistic glass-formers and two…
Avalanche behaviors, characterized by power-law statistics and structural relaxation that induces shear localization in amorphous plasticity, play an essential role in deciding the mechanical properties of amorphous metallic solids (i.e.,…
Understanding the structural origins of glass formation and mechanical response remains a central challenge in condensed matter physics. Recent studies have identified the local caging potential experienced by a particle due to its nearest…
Structural changes in a glass due to deformation are subtle and difficult to quantify using conventional imaging and diffraction techniques. Additionally, transmission electron microscopy (TEM) sample preparation using energetic ions often…
A wide range of materials can exist in microscopically disordered solid forms, referred to as amorphous solids or glasses. Such materials -- oxide glasses and metallic glasses, to polymer glasses, and soft solids such as colloidal glasses,…
We report computer simulations of oscillatory athermal quasi-static shear deformation of dense amorphous samples of a three dimensional model glass former. A dynamical transition is observed as the amplitude of the deformation is varied:…
Predicting the failure and plasticity of solids remains a longstanding challenge, with broad implications for materials design and functional reliability. Disordered solids like metallic glasses can fail either abruptly or gradually without…
Amorphous silica ($a-SiO_2$) is a widely used inorganic material. Interestingly, the relationship between the local atomic structures of $a-SiO_2$ and their effects on ductility and fracture is seldom explored. Here, we combine large-scale…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…
The elastic response of a two-dimensional amorphous solid to induced local shear transformations, which mimic the elementary plastic events occurring in deformed glasses, is investigated via Molecular Dynamics simulations. We show that for…
The universal anomalous vibrational and thermal properties of amorphous solids are believed to be related to the local variations of the elasticity. Recently it has been shown that the vibrational properties are sensitive to the glass's…
In this paper we extend the recent theory of shear-localization in 2-dimensional amorphous solids to 3-D. In 2-D the fundamental instability of shear-localization is related to the appearance of a line of displacement quadrupoles, that…
When an amorphous solid is deformed homogeneously, the response exhibits heterogeneous plastic instabilities with localized cooperative rearrangement of cluster of particles. The heterogeneous behavior plays an important role in deciding…
Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…
Oxide glasses have the structure of disordered covalent networks that are accountable for their mechanical response. Identifying the topological phenomena of the elastic structural response, we statistically backpropagate local regions that…