Related papers: Interface-dominated plasticity and kink bands in m…
Analysis of the strain-induced pseudomagnetic fields (PMFs) generated in graphene nanobulges under three different substrate scenarios shows that, in addition to the shape, the graphene-substrate interaction can crucially determine the…
In engineering crystal plasticity inelastic mechanisms correspond to tensorial zero-energy valleys in the space of macroscopic strains. The flat nature of such valleys is in contradiction with the fact that plastic slips, mimicking…
We have reconsidered the problem of spin injection across ferromagnet/non-magnetic-semiconductor (FM/NMS) and dilute-magnetic-semiconductor/non-magnetic-semiconductor interfaces, for structures with \textit{finite} magnetic layers (FM or…
Moir\'{e} superlattices (MSLs) in van der Waals (vdW) heterostructures have demonstrated their incredible power in driving emergent electronic phenomena, some of which are reminiscent of those usually only observed in bulk strongly…
In this study, we propose Explainable Multimodal Machine Learning (EMML), which integrates the analysis of diverse data types (multimodal data) using factor analysis for feature extraction with Explainable AI (XAI), for carbon nanotube…
We introduce the Linearized Diffusion Map (LDM), a novel linear dimensionality reduction method constructed via a linear approximation of the diffusion-map kernel. LDM integrates the geometric intuition of diffusion-based nonlinear methods…
Conventional lithography methods involving pattern transfer through resist templating face challenges of material compatibility with various process solvents. Other approaches of direct material writing often compromise pattern complexity…
Nanoindentation techniques recently developed to measure the mechanical response of crystals under external loading conditions reveal new phenomena upon decreasing sample size below the microscale. At small length scales, material…
Understanding transition metal atoms' intercalation and diffusion behavior in two-dimensional (2D) materials is essential for advancing their potential in spintronics and other emerging technologies. In this study, we used density…
The spontaneous creation of disclinations is a defining characteristic of active nematics, which is rarely observed in equilibrium systems or other active matter systems. Thus, understanding the mechanics of disclinations is crucial for…
Modeling the transport of deformable capsules under different flow regimens is crucial in a variety of fields, including oil rheology, blood flow and the dispersion of pollutants. The aim of this study is twofold. Firstly, a combined…
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…
There is a recent upsurge of interests in flat bands in condensed-matter systems and the consequences for magnetism and superconductivity. This article highlights the physics, where peculiar quantum-mechanical mechanisms for the physical…
Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications…
The topological mechanics is a perfect tool that can bridge the gap between the quantum and Newtonian physics and mechanics of materials. It requires discrete models of the material with analogies with the topological characteristics of…
The creation and ultrastructure of kink-bands in flax fibres are key issues for developing more and more performing biobased composite materials. Nevertheless, despite many hypotheses and structural characterization, the exact origin of…
Spinodal metamaterials, with architectures inspired by natural phase-separation processes, have presented a significant alternative to periodic and symmetric morphologies when designing mechanical metamaterials with extreme performance.…
A finite-deformation crystal-elasticity membrane model for Transition Metal Dichalcogenide (TMD) monolayers is presented. Monolayer TMDs are multi-atom-thick two-dimensional (2D) crystalline membranes having atoms arranged in three parallel…
Topological defects, such as disclination lines in nematic liquid crystals, are fundamental to many physical systems and applications. In this work, we study the behavior of nematic disclinations in thin parallel-plate geometries with…
Deformation plasticity mechanisms in alloys and compounds may unveil the material capacity towards optimal mechanical properties. We conduct a series of molecular dynamics (MD) simulations to investigate plasticity mechanisms due to…