Related papers: Correlation between plastic rearrangements and loc…
Compressing or cooling a fluid typically enhances its static interparticle correlations. However, there are notable exceptions. Isothermal compression can reduce the translational order of fluids that exhibit anomalous waterlike trends in…
The interrelations between short range structural and elastic aspects in glasses and glass forming liquids pose important and yet unresolved questions. In this paper these relations are analyzed for mono-atomic glasses and stressed liquids…
Amorphous materials such as metallic, polymeric, and colloidal glasses, exhibit complex preparation-dependent mechanical response to applied shear. We perform numerical simulations to investigate the mechanical response of binary…
We explore the structural signatures of excitations in amorphous materials with the atomic cluster expansion (ACE), a universal and complete linear basis of descriptors of the atomic environment. Body-orderd linear classifiers are…
The evolution of porous structure, potential energy and local density in binary glasses under oscillatory shear deformation is investigated using molecular dynamics simulations. The porous glasses were initially prepared via a rapid thermal…
Machine learning techniques have been used to quantify the relationship between local structural features and variations in local dynamical activity in disordered glass-forming materials. To date these methods have been applied to an array…
Jammed soft disks exhibit avalanches of particle rearrangements under quasistatic shear. We follow the avalanches using steepest descent to decompose them into individual localized rearrangements. We characterize the local structural…
We study the yielding behaviour of a model glass under cyclic athermal quastistatic deformation computationally, and show that yielding is characterised by the discontinuous appearance of shear bands, whose width is about ten particle…
The relation between elasticity and yielding is investigated in a model polymer solid by Molecular-Dynamics simulations. By changing the bending stiffness of the chain and the bond length, semicrystalline and disordered glassy polymers -…
We show numerically that a three-dimensional model for structural glass displays aging, rejuvenation and memory effects when submitted to a temperature cycle. These effects indicate that the free energy landscape of structural glasses may…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
We consider unsupervised learning methods for characterizing the disordered microscopic structure of supercooled liquids and glasses. Specifically, we perform dimensionality reduction of smooth structural descriptors that describe radial…
Plastic rearrangements play a crucial role in the characterization of soft-glassy materials, such as emulsions and foams. Based on numerical simulations of soft-glassy systems, we study the dynamics of plastic rearrangements at the…
Amorphous solids relax via slow molecular rearrangement induced by thermal fluctuations or applied stress. Although microscopic structural signatures predicting these structural relaxations have long been sought, a physically motivated…
When stressed sufficiently, solid materials yield and deform plastically via reorganization of microscopic constituents. Indeed, it is possible to alter the micro-structure of materials by judicious application of stress, an empirical pro-…
We explore the relationship between a machine-learned structural quantity (softness) and excess entropy in simulations of supercooled liquids. Excess entropy is known to scale well the dynamical properties of liquids, but this…
We discuss aging and localization in a simple "Eshelby" mesoscopic model of amorphous plasticity. Plastic deformation is assumed to occur through a series of local reorganizations. Using a discretization of the mechanical fields on a…
Complex crystal structures are composed of multiple local environments, and how this type of order emerges spontaneously during crystal growth has yet to be fully understood. We study crystal growth across various structures and along…
Plastic deformation in metallic glasses at room temperature leads to the development of shear bands due to shear localization. In many experiments, shear bands have shown local density variations along their path, with a distinct imbalance…
The fundamental instability responsible for the shear localization which results in shear bands in amorphous solids remains unknown despite enormous amount of research, both experimental and theoretical. As this is the main mechanism for…