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Thin film systems are often analysed by using sputter depth profiling. First the sample gets eroded by inert gas ion impact during sputter depth profiling. Then the elemental composition of the freshly unveiled surface is determined by…
Modern approaches to the search of Relative and Global minima of potential energy function of Biomacromolecular structures include techniques of combinatorial optimization like the study of Steiner Points and Steiner Trees. These methods…
One of the advantages of spectral computed tomography (CT) is it can achieve accurate material components using the material decomposition methods. The image-based material decomposition is a common method to obtain specific material…
We present a comparative study of copper film growth with a constant energy neutral beam, thermal evaporation, dc magnetron sputtering, high-power impulse magnetron sputtering (HiP-IMS), and bipolar HiPIMS, through molecular dynamics…
We describe a method of white-beam inelastic neutron scattering for improved measurement efficiency. The method consists of matrix inversion and selective extraction. The former is to resolve each incident energy component from the…
This paper develops a smoothing-based postprocessing method for superconvergence in finite element methods. The method applies a few smoothing iterations, such as damped Jacobi, Gauss-Seidel, or conjugate gradient, with initial guess being…
Fourier-based optical computing operations, such as spatial differentiation, have recently been realized in compact form factors using flat optics. Experimental demonstrations, however, have been limited to coherent light requiring laser…
The Bruggeman formalism for the homogenization of particulate composite materials is used to predict the effective permittivity dyadic of a two-constituent composite material with one constituent having the ability to display the Pockels…
Computational homogenization is the gold standard for concurrent multi-scale simulations (e.g., FE2) in scale-bridging applications. Experimental and synthetic material microstructures are often represented by 3D image data. The…
Point defects exist widely in engineering materials and are known to scatter vibrational modes to reduce thermal conductivity. The Klemens description of point defect scattering is the most prolific analytical model for this effect. This…
Advancements in theoretical and algorithmic approaches, workflow engines, and an ever-increasing computational power have enabled a novel paradigm for materials discovery through first-principles high-throughput simulations. A major…
The task of finding the optimal compression of a polyline with straight-line segments and arcs is performed in many applications, such as polyline compression, noise filtering, and feature recognition. Optimal compression algorithms find…
Inorganic/inorganic composites are found in multiple applications crucial for the energy transition, from nuclear reactor to energy storage devices. Their microstructures dictate a number of properties, such as mass transport or fracture…
Freeform optical components offer significant compactization of multi-lens systems, as well as advanced manipulation of light that is not possible with traditional systems. However, their fabrication relies on machining processes that are…
Highly textured chalcogenide films have recently gained significant interest for phase-change memory applications. Several reports have highlighted that programming efficiency improves in devices featuring superlattice stacks, such as…
Predicting the optical response of macroscopic arrangements of individual scatterers is a computational challenge, as the problem involves length scales across multiple orders of magnitude. We present a full-wave optical method to highly…
The modeling of high velocity impact into brittle or quasibrittle solids is hampered by the unavailability of a constitutive model capturing the effects of material comminution into very fine particles. The present objective is to develop…
Recently was reported a novel compound between rhenium and nitrogen, announced with ReN2 composition. This compound was synthesized by the high temperature and high pressure method. We found that the diffraction peaks of this compound are…
Sculptured copper thin films were deposited on glass substrates, using different deposition rates. The nano-structure and morphology of the films were obtained, using X-ray diffraction (XRD), atomic force microscopy (AFM) and scanning…
In x-ray coherent scatter tomography, tomographic measurements of the forward scatter distribution are used to infer scatter densities within a volume. A radiopaque 2D pattern placed between the object and the detector array enables the…