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The concept of vibrational density of states in glasses has been mirrored in liquids by the instantaneous-normal-mode spectrum. While in glasses instantaneous configurations correspond to minima of the potential-energy hypersurface and all…
We study shear yielding and steady state flow of glassy materials with molecular dynamics simulations of two standard models: amorphous polymers and bidisperse Lennard-Jones glasses. For a fixed strain rate, the maximum shear yield stress…
Yielding behavior in amorphous solids has been investigated in computer simulations employing uniform and cyclic shear deformation. Recent results characterise yielding as a discontinuous transition, with the degree of annealing of glasses…
Stochastic geometry provides a powerful framework for modelling complex random structures, with applications in physics, materials science, biology, and other fields. The three-dimensional microstructure of polycrystalline materials is…
Shear band propagation and interaction are critical to the mechanical performance of metallic glasses and are strongly governed by thermal history, yet their microscopic mechanisms remain unclear. Here, using molecular dynamics simulations…
This paper develops the multisymplectic formulation of nonsmooth elastoplastic phenomena, where the plastic deformation and the associated thermodynamic entropy evolve by jumps.
The atomic theory of elasticity of amorphous solids, based on the nonaffine response formalism, is extended into the nonlinear stress-strain regime by coupling with the underlying irreversible many-body dynamics. The latter is implemented…
This paper deals with shape optimization for elastic materials under stochastic loads. It transfers the paradigm of stochastic dominance, which allows for flexible risk aversion via comparison with benchmark random variables, from…
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…
The physical sciences are replete with dynamical systems that require the resolution of a wide range of length and time scales. This presents significant computational challenges since direct numerical simulation requires discretization at…
Soft solids with tunable mechanical response are at the core of new material technologies, but a crucial limit for applications is their progressive aging over time, which dramatically affects their functionalities. The generally accepted…
Metallic glasses are a promising class of materials celebrated for their exceptional thermal and mechanical properties. However, accurately predicting and understanding the melting temperature (T_m) and glass transition temperature (T_g)…
Physical experiments can characterize the elastic response of granular materials in terms of macroscopic state-variables, namely volume (packing) fraction and stress, while the microstructure is not accessible and thus neglected. Here, by…
Slow dynamic nonlinearity is widely observed in brittle materials with complex heterogeneous or cracked microstructures. It is seen in rocks, concrete and cracked glass blocks. Unconsolidated structures show the behavior as well: aggregates…
We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…
We extend the Data-Driven formulation of problems in elasticity of Kirchdoerfer and Ortiz (2016) to inelasticity. This extension differs fundamentally from Data-Driven problems in elasticity in that the material data set evolves in time as…
The viscosity of glass-forming liquids increases by many orders of magnitude if their temperature is lowered by a mere factor of 2-3 [1,2]. Recent studies suggest that this widespread phenomenon is accompanied by spatially heterogeneous…
A model glass with fast and slow processes is studied. The statics is simple and the facilitated slow dynamics is exactly solvable. The main features of a fragile glass take place: Kauzmann transition, Vogel-Fulcher law, Adam-Gibbs relation…
Relaxation of shear bands in a Pd40Ni40P20 bulk metallic glass was investigated by a combination of radiotracer diffusion and molecular dynamics (MD) simulations, allowing to determine for the first time the effective activation enthalpy of…
The onset of irreversible deformation in low-temperature amorphous solids is due to the accumulation of elementary events, consisting of spacially and temporally localized atomic rearrangements involving only a few tens of atoms. Recently,…