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A hybrid scheme between large-scale electronic structure calculations is developed and applied to nanocrystalline silicon with more than 10$^5$ atoms. Dynamical fracture processes are simulated under external loads in the [001] direction.…
Nanoelectromechanical Systems (NEMS) have emerged as a promising technology for performing the mass spectrometry of large biomolecules and nanoparticles. As nanoscale objects land on NEMS sensor one by one, they induce resolvable shifts in…
Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…
The synthesis of metal-organic frameworks (MOFs) in a monolithic morphology is a promising way to achieve the transition of this class of materials from academia to industrial applications. The sol-gel process has been widely employed to…
A data driven finite element method (DDFEM) that accounts for more than two material state variables has been presented in this work. DDFEM framework is motivated from (1,2) and can account for multiple state variables, viz. stresses,…
In this study, we present a computational framework tailored for the precise detection and comprehensive analysis of nanoparticles within scanning electron microscopy (SEM) images. The primary objective of this framework revolves around the…
Nanoscale strain mapping by four-dimensional scanning transmission electron microscopy (4D-STEM) relies on determining the precise locations of Bragg-scattered electrons in a sequence of diffraction patterns, a task which is complicated by…
Precise assessment of the mechanical properties of soft biological systems at the nanoscale is crucial for understanding physiology, pathology, and developing relevant drugs. Conventional atomic force microscopy (AFM)-based indentation…
Moir\'e superlattices in stacked 2D crystals are powerful platforms for engineering correlated and topological quantum phases, with twisted graphene and transition metal dichalcogenides (TMDs) as prominent examples. Their angle-sensitive…
Nanoscale phase-control is one of the most powerful approaches to specifically tailor electrical fields in modern nanophotonics. Especially the precise sub-wavelength assembly of many individual nano-building-blocks has given rise to…
Coherent diffraction imaging (CDI) on Bragg reflections is a promising technique for the study of three-dimensional (3D) composition and strain fields in nanostructures, which can be recovered directly from the coherent diffraction data…
Recently, we have reported that a highly disordered fractal MgO/MgB2 nanocomposite exhibits bulk-like superconducting properties with isotropic pinning, showing an excellent phase-coherent capability irrespective of the low volume fraction…
In traditional phase-field modeling of multiphase materials, a significant challenge arises from the non-local nature of fracture energy regularization, where interfacial toughness is inherently coupled with the properties of the…
Strain-mediated thin film multiferroics comprising piezoelectric/ferromagnetic heterostructures enable the electrical manipulation of magnetization with much greater efficiency than other methods; however, the investigation of…
Crystal orientation and strain mapping of an individual curved and asymmetrical core-shell hetero-nanowire is performed based on transmission electron microscopy. It relies on a comprehensive analysis of scanning nanobeam electron…
Understanding defect production and evolution under irradiation is a long-standing multi-scale problem. Conventionally, experimental examination of irradiation-induced defects (IIDs) has mainly relied on transmission electron microscopy…
This article deals with the prediction of thermomechanical properties of fiber reinforced composites using several micromechanics models. These include strength of material approach, Halpin-Tsai equations, multi-phase mechanics of materials…
Single-phase, multi-elements (three or more) with high concentrations show exceptional tensile strength up to ~ 0.8-1.2 GPa. However, they possess a very low 0.2% yield strength (YS), i.e., they can be permanently deformed at very…
Large-scale 3D martensitic microstructure evolution problems are studied using a finite-element discretization of a finite-strain phase-field model. The model admits an arbitrary crystallography of transformation and arbitrary elastic…
The nature of the interface in lateral heterostructures of 2D monolayer semiconductors including its composition, size, and heterogeneity critically impacts the functionalities it engenders on the 2D system for next-generation…