Related papers: Real space information from Fluctuation electron m…
FEMSIM, a Fortran code, has been developed to simulate the fluctuation electron microscopy signal, the variance, V(k), from a model atomic structure. FEMSIM has been incorporated into a hybrid-reverse Monte Carlo code that combines an…
We apply a new method "force enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a-Si), based upon the highly precise X-ray diffraction experiments of Laaziri et al. The logic underlying our calculation is to…
Amorphous silicon (a-Si) models are analyzed for structural, electronic and vibrational characteristics. Several models of various sizes have been computationally fabricated for this analysis. It is shown that a recently developed…
Scanning Electron Microscopy (SEM) is indispensable in modern materials science, enabling high-resolution imaging across a wide range of structural, chemical, and functional investigations. However, SEM imaging remains constrained by…
We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous…
We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\it et al}, Phys. Rev. B {\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-atom model with 7.4 % hydrogen and a 611-atom model with 22…
The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored - is an important unsolved problem for disordered materials. Such modeling should proceed by using our full…
A new material characterization technique is emerging for the transmission electron microscope (TEM). Using electron energy-loss spectroscopy, real space mappings of the underlying electronic transitions in the sample, so called orbital…
Numerical simulations of flow and transport in porous media usually rely on hybrid-dimensional models, i.e., the fracture is considered as objects of a lower dimension compared to the embedding matrix. Such models are usually combined with…
In this paper, we study the stability and convergence of a decoupled and linearized mixed finite element method (FEM) for incompressible miscible displacement in a porous media whose permeability and porosity are discontinuous across some…
We propose an energy-stable parametric finite element method (ES-PFEM) for simulating solid-state dewetting of thin films in two dimensions via a sharp-interface model, which is governed by surface diffusion and contact line (point)…
We used numerical simulations based on the finite element method (FEM) to calculate both the amplitude and phase information of the scattered electric field from random rough surfaces, which can be directly compared to ellipsometric…
Fluorescence fluctuations-based super-resolution microscopy (FF-SRM) is an emerging field promising low-cost and live-cell compatible imaging beyond the resolution of conventional optical microscopy. A comprehensive overview on how the…
In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…
Sequential registering of fluorescence signals in conventional Excitation-Emission Matrices (EEMs), followed by modeling based on multilinear properties of the data, requires stable fluorophore concentrations throughout the acquisition of…
Candidates for random network media include, e.g., systems consisting of long, flexible macromolecules cross-linked (i.e., permanently bonded) together at random to form the network. Owing to the random architecture, the characteristics of…
Knowing the dynamics of neuromorphic photonic schemes would allow their optimization for controlled data-processing capability in possibly simplified designs and minimized energy consumption levels. In nonlinear substrates such as optical…
Localized basis ab initio molecular dynamics simulation within the density functional framework has been used to generate realistic configurations of amorphous silicon carbide (a-SiC). Our approach consists of constructing a set of smart…
We prepared thin layers of amorphous silicon by deposition of a liquid-phase polysilane precurser on glass substrate. Raman scattering provides evidence for residual tensile stress in the silicon, which is evaluated quantitatively. Under…
Coupling tailored electromagnetic fluctuations to materials provides a resource for controlling correlated quantum matter. By structuring the frequency, spatial, and modal distribution of fluctuations through a new generation of cavity…