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The objective of this work is to assess computationally efficient coarse-grained plasticity models against high-fidelity crystal plasticity simulations for magnesium polycrystals over a wide range of textures and grain sizes. A basic…
Machine-learning interatomic potentials (MLIPs) offer a powerful avenue for simulations beyond length and timescales of ab initio methods. Their development for investigation of mechanical properties and fracture, however, is far from…
The mechanical properties of polycrystalline metals are governed by the interaction of defects that are generated by deformation within the 3D microstructure. In materials that deform by slip, the plasticity is usually highly heterogeneous…
Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…
Using a tight-binding atomistic simulation, we simulate the recent atomic-force microscopy experiments probing the slipperiness of graphene flakes made slide against a graphite surface. Compared to previous theoretical models, where the…
In this work, we conducted molecular dynamics simulations to study the fracture mechanism of ice crystals in a bulk phase and at ice-ice interfaces at the atomistic scale. We show that there exists a narrow disordered interfacial layer…
An estimate of the effective toughness of heterogeneous materials is proposed based on the Phase Field Fracture model implemented in an FFT homogenization solver. The estimate is based on the simulation of the deformation of representative…
Structural heterogeneity of amorphous solids present difficult challenges that stymie the prediction of plastic events, which are intimately connected to their mechanical behavior. Based on a perturbation analysis of the potential energy…
While of paramount importance in material science, the dynamics of cracks still lacks a complete physical explanation. The transition from their slow creep behavior to a fast propagation regime is a notable key, as it leads to full material…
Accurate understanding and control of interfacial adhesion between Cu and Ta$_x$N diffusion barriers are essential for ensuring the mechanical reliability and integrity of Cu interconnect systems in semiconductor devices. Amorphous tantalum…
A polycrystalline solid is modelled as an ensemble of random irregular polyhedra filling the entire space occupied by the solid body, leaving no voids or flaws between them. Adjacent grains can slide with a relative velocity proportional to…
Micro and nanoscale materials have remarkable mechanical properties, such as enhanced strength and toughness, but usually display sample-to-sample fluctuations and non-trivial size effects, a nuisance for engineering applications and an…
Shape-morphing metamaterials enable adaptive structures capable of complex functional deformations, with applications ranging from reconfigurable structures and soft robotics to medical devices. However, their design remains challenging due…
Thin shell carbon fiber composites have great potential for structures that require large recoverable deformations, high stiffness and low weight, as in deployable space structures, biomedical devices and robotics. Despite being…
Dense ceramics are irreplaceable in applications requiring high mechanical stiffness, chemical and temperature resistance and low weight. To improve their toughness, ceramics can be reinforced with elongated inclusions. Recent manufacturing…
Natural ceramic composites present complex microstructures that lead to tortuous crack paths and confer them high toughness. Current microreinforced composites do not yet reach the same level of complexity in their microstructures,…
A geometrically nonlinear continuum mechanical theory is formulated for deformation and failure behaviors of amorphous polymers. The model seeks to capture material response over a range of loading rates, temperatures, and stress states…
A new gradient-based formulation for predicting fracture in elastic-plastic solids is presented. Damage is captured by means of a phase field model that considers both the elastic and plastic works as driving forces for fracture. Material…
Amorphous grain boundary complexions have been shown to increase the plasticity of nanocrystalline alloys as compared to ordered grain boundaries. Here, the effect of an important structural descriptor, amorphous complexion thickness, on…