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This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…
The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…
We perform the linear stability analysis for a new model for poromechanical processes with inertia (formulated in mixed form using the solid deformation, fluid pressure, and total pressure) interacting with diffusing and reacting solutes…
Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…
We use a continuous mesoscopic model to address the yielding properties of plastic composites, formed by a host material and inclusions with different elastic and/or plastic properties. We investigate the flow properties of the composed…
We numerically investigate the athermal creep deformation of amorphous materials having a wide range of stability. The imposed shear stress serves as the control parameter, allowing us to examine the time-dependent transient response…
Discrete element (DEM) simulations demonstrate that granular materials are non-simple, meaning that the incremental stiffness of a granular assembly depends on the gradients of the strain increment as well as on the strain increment itself.…
We introduce structural heterogeneity, a new topological characteristic for semi-ordered materials that captures their degree of organisation at a mesoscopic level and tracks their time-evolution, ultimately detecting the order-disorder…
We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal…
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…
The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…
In a granular material, a macroscopically homogeneous deformation does not correspond to a homogeneous displacement field when looking at the individual grains. The deviation of a grain displacement from the value dictated by the continuum…
We present an image processing algorithm developed for quantitative analysis of directional solidification of metal alloys in thin cells using X-ray imaging. Our methodology allows to identify the fluid volume, fluid channels and cavities,…
Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…
Exact solutions are derived for the problem of a two-dimensional, infinitely anisotropic, linear-elastic medium containing a periodic lattice of voids. The matrix material possesses either one infinitely soft, or one infinitely hard loading…
3D-printed digital materials whose mechanical behavior travels between those from thermoplastic to rubbery polymers have become increasingly important. However, their mechanical functionalities have not been fully exploited due to intrinsic…
The two-phase composite approach of Estrin et al. (1998) describes an evolving dislocation cell structure. Mckenzie et al. (2007) enhanced the model to capture the effects of hydrostatic pressure and temperature during severe plastic…
The accelerated inverse design of complex material properties - such as identifying a material with a given stress-strain response over a nonlinear deformation path - holds great potential for addressing challenges from soft robotics to…
This paper describes a 2D and 3D simulation engine that quantitatively models the statics, dynamics, and non-linear deformation of heterogeneous soft bodies in a computationally efficient manner. There is a large body of work simulating…
We propose an algorithm for the computational homogenization of locally periodic hyperelastic structures undergoing large deformations due to external quasi-static loading. The algorithm performs clustering of macroscopic deformations into…