Related papers: Origin of reversible and irreversible atomic-scale…

Reversible switching of the complex network dynamics of proteins is mimicked in selected network glasses and compacted small carbohydrate molecules. Protein transitions occur on long time scales ~ us -ms, evocative of the exponentially…

We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…

We perform extensive simulations of a 2D LJ glass subjected to quasi-static shear deformation at T=0. We analyze the distribution of non-affine displacements in terms of contributions of plastic, irreversible events, and elastic, reversible…

The synergetic approach proposed here is based on characteristic instability of chemical bonding in the form of the bond wave considered as the spatiotemporal correlation between the elementary acts of bond exchange. In frames of the model,…

There is growing evidence that electronic and molecular networks present some common universal properties, among which the existence of a self-organized intermediate phase. In glasses, the latter is revealed by the reversibility window…

Topological constraint theory has become an increasingly popular tool to predict the compositional dependence of glass properties or pinpoint promising compositions with tailored functionalities. This approach reduces complex disordered…

Mixing theoretical topological structures with cutting-edge simulation methods, a recent study in Nature Communications has finally confirmed the existence of topological defects in glasses and their crucial role for plasticity.

Amorphous solids under mechanical strains are prone to plastic responses. Recent work showed that in amorphous granular system these plastic events, that are typically quadrupolar in nature, can screen the elastic response. When the density…

Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the…

Here we show that a new class of glasses composed of heavy metal oxides involving transition metals (V$_\text {2}$O$_\text{}$5-TeO$_\text{2}$), can surprisingly be designed from very basic tools using topology and rigidity of their…

The progress in understanding the behavior of glassy mixed ionic conductors within the concept of the defect model for the mixed mobile ion effect (V. Belostotsky, J. Non-Cryst. Solids 353 (2007) 1078) is reported. It is shown that in a…

We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows the for the generation of…

Atomistic simulations are employed to study structural evolution of pore ensembles in binary glasses under periodic shear deformation with varied amplitude. The consideration is given to porous systems in the limit of low porosity. The…

The influence of variable-amplitude loading on the potential energy and mechanical properties of amorphous materials is investigated using molecular dynamics simulations. We study a binary mixture that is either rapidly or slowly cooled…

We study quasi-static deformation of dense granular packings. The packing is deformed by imposing external boundary conditions, which model engineering experiments such as shear and compression. We propose a two-dimensional network model of…

In recent work, we developed a screening theory for describing the effect of plastic events in amorphous solids on its emergent mechanics. The suggested theory uncovered an anomalous mechanical response of amorphous solids where plastic…

Many amorphous glassy materials exhibit complex spatio-temporal mechanical response and rheology, characterized by an intermittent stress-strain response and a fluctuating velocity profile. Under quasistatic and athermal deformation…

We numerically investigate the thermodynamic properties of the glass state. As the object of our study, we employ a binary lattice gas model. Through Monte Carlo simulations, we find that this model actually experiences a glass transition.…

A patchwork method is used to study the dynamics of loss and recovery of an initial configuration in spin glass models in dimensions d=1 and d=2. The patchwork heuristic is used to accelerate the dynamics to investigate how models might…

The existence of nanoscale ductility during the fracture of silicate glasses remains controversial. Here, based on molecular dynamics simulations coupled with topological constraint theory, we show that nano-ductility arises from the…