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Stochastic gradient descent (SGD) still is the workhorse for many practical problems. However, it converges slow, and can be difficult to tune. It is possible to precondition SGD to accelerate its convergence remarkably. But many attempts…
Nanoindentation is an effective way of finding mechanical properties at nanoscale. They are especially useful for thin films where elimination of the substrate effect is required. The mechanism is based upon depth sensing indentation based…
Theories of toughness of materials depend on an understanding of the characteristic instabilities of the crack tip, and their possible interactions. In this paper we examine the effect of dislocation emission on subsequent cleavage of a…
Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…
While it is well known that there is a significant amount of conserved charges in the initial state of nuclear collisions, the production of these due to gluon splitting has yet to be thoroughly investigated. The ICCING (Initial Conserved…
We study the effect of the edge disorder on the conductance of the graphene nanoribbons (GNRs). We find that only very modest edge disorder is sufficient to induce the conduction energy gap in the otherwise metallic GNRs and to lift any…
Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While traditional entropic network models can be fit to the total stress, their underlying assumptions are inconsistent with simulation results.…
Understanding crack tip - dislocation interaction is critical for improving the fracture resistance of semi-brittle materials like room-temperature plastically deformable ceramics. Here, we use a modified double cleavage drilled compression…
Graph Neural Networks (GNNs) are sensitive to structural noise from adversarial attacks or imperfections. Existing graph contrastive learning (GCL) methods typically rely on either random perturbations (e.g., edge dropping) for diversity or…
High-density carbon nanotube networks (CNNs) continue to attract interest as active elements in nanoelectronic devices, nanoelectromechanical systems (NEMS) and multifunctional nanocomposites. The interplay between the network nanostructure…
Strain hardening is a key feature observed in many rocks deformed in the so-called ``semi-brittle'' regime, where both crystal plastic and brittle deformation mechanisms operate. Dislocation storage has long been recognised as a major…
The strain state and composition of a 400 nm thick (In,Ga)N layer grown by metal-organic chemical vapor deposition on a GaN template are investigated by spatially integrated x-ray diffraction and cathodoluminescence (CL) spectroscopy as…
Large twist-angle grain boundaries in layered structures are often described by Scherk's first surface whereas small twist-angle grain boundaries are usually described in terms of an array of screw dislocations. We show that there is no…
We investigate giant molecular cloud (GMCs) collisions and their ability to induce gravitational instability and thus star formation. This mechanism may be a major driver of star formation activity in galactic disks. We carry out a series…
Segregation-induced structural transitions in metallic grain boundaries are studied with hybrid atomistic Monte Carlo/molecular dynamics simulations using Cu-Zr as a model system, with a specific emphasis on understanding the effect of…
Finite element analysis of stress about a blunt crack tip, emphasizing finite strain and phenomenological and mechanism-based strain gradient plasticity (SGP) formulations, is integrated with electrochemical assessment of occluded-crack tip…
Plastic inhomogeneity, particularly localised strain, is one of the main mechanisms responsible for failures in engineering alloys. This work studied the spatial arrangement and distribution of microstructure and their influence in the…
Recent results in the literature suggest that the penultimate (second-to-last) layer representations of neural networks that are trained for classification exhibit a clustering property called neural collapse (NC). We study the implicit…
In functionally graded materials (FGMs) fabricated using directed energy deposition (DED) additive manufacturing (AM), cracks may form due to interdendritic stress during solidification, the formation of intermetallics, or the buildup of…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…