Materials Literature
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A Monte Carlo scheme is described where the secondary electron generation has been incorporated. The initial position of a secondary electron due to Fermi sea excitation is assumed to be where the inelastic collision took place, while the polar and azimuth angles of secondary electrons can be calculated in two differe…
An efficient method for the simulation of strained heteroepitaxial growth with intermixing using kinetic Monte Carlo is presented. The model used is based on a solid-on-solid bond counting formulation in which elastic effects are incorporated using a ball and spring model. While idealized, this model nevertheless capt…
In the framework of multiple-scattering theory, we show that the dispersion relations of certain electromagnetic (EM) and elastic metamaterials can be obtained analytically in the long-wavelength limit. Specific examples are given to the two-dimensional metamaterials with cylindrical inclusions arranged in square and…
The electronic structure of Na-adsorbed graphenes formed on the 6H-SiC(0001) substrate was studied using angle-resolved photoemission spectroscopy with synchrotron photons and ab initio pseudopotential calculations. It was found that the band of the graphenes sensitively changes upon Na adsorption especially at low te…
Chemically modified epitaxial graphene (EG) by azidotrimethylsilane (ATS) was investigated using high-resolution photoemission spectroscopy (HRPES). Through the spectral analysis, we clearly confirmed that EG is modified by thermally generated nitrene radicals and found that the bonding nature between the nitrene radi…
We investigate the interaction between spherical magnetic nanoparticles which present either a single domain or a vortex structure. First the magnetic structure of a uniaxial soft sphere is revisited, and then the interaction energy is calculated from a micromagnetic simulation. In the vortex regime the orientation of…
Thin films of ${\text{Mg}}_{x}{\text{Ti}}_{1\ensuremath{-}x}$ show an optical black state upon hydrogenation. We calculate the dielectric function and the optical properties of ${\text{Mg}}_{x}{\text{Ti}}_{1\ensuremath{-}x}{\text{H}}_{2}$, $x=0.5$, 0.75, and 0.875 using first-principles density-functional theory. We a…
In this work we present a detailed study of the structural and lattice dynamic properties of Y-doped EuMnO3 ceramics (Eu1-xYxMnO3, with 0
We detected concentration-dependent surface-enhanced Raman scattering (SERS) spectra of several label-free proteins (lysozyme, ribonuclease B, avidin, catalase, and hemoglobin) for the first time in aqueous solutions. Acidified sulfate was used as an aggregation agent to induce high electromagnetic enhancement in SERS…
Graphite oxide constitutes a hexagonal carbon network with oxygen atoms in carbon-oxide ether ring formations and hydroxyl molecules. We have studied graphite oxide with a first-principles density functional theory calculation for different oxidation levels. The oxygen atoms form 1,2-ether groups (epoxides) on the car…
We analyze the optical properties of plasmonic nanorod metamaterials in the epsilon-near-zero regime and show, both theoretically and experimentally, that the performance of these composites is strongly affected by nonlocal response of the effective permittivity tensor. We provide the evidence of interference between…
Unlike in linear nanostructures, photocurrent generated in single-layer graphene (SLG) is expected to display two-dimensional characteristics. This allows the investigation of carrier dynamics, in relation to several spatially varying factors (such as the location of photocurrent generation and collection) and the ove…
Growth of silver nanoparticles by the citrate reduction of silver nitrate under the range of pH from 5.7 to 11.1 was investigated systematically and quantitatively. Reduction of the silver precursor (Ag + ) was promoted with increased pH, attributed to the higher activity of the citrate reductant under high pH value.…
We present a novel approach for computing the surface roughness-limited thermal conductivity of silicon nanowires with diameter $D<100\text{ }\text{ }\mathrm{nm}$. A frequency-dependent phonon scattering rate is computed from perturbation theory and related to a description of the surface through the root-mean-squa…
To realize graphene-based electronics, various types of graphene are required; thus, modulation of its electrical properties is of great importance. Theoretic studies show that intentional doping is a promising route for this goal, and the doped graphene might promise fascinating properties and widespread applications…
With interest in improved efficiency and a more complete description of the SMA material, this paper compares finite element (FE) simulations of typical stent geometries using two different constitutive models and two different element types. Typically, continuum elements are used for the simulation of stents, for exa…
A Monte Carlo simulation of equilibrium thermal vacancies is extended to grain boundaries in Al. The vacancy localization is explored by intensive molecular-dynamics simulations. It is found that, in the symmetrical tilt boundary $\ensuremath{\Sigma}=33(554)[1\overline{1}0]$, the reference lattice, based on the coinci…
Bacterial cellulose and chitosan blends have been successfully prepared by immersing wet bacterial cellulose pellicle in chitosan solution followed by freeze-drying. By changing chitosan concentration and immersion time, the chitosan content in the blends is ranged from 12% to 45%. The products look like a foam struct…
The structural investigations of model organic systems like pentacene on silicon oxide in the monolayer regime is very important for the basic understanding of initial nucleation process together with the electronic performance of transistor devices. A method for the evaluation of the island formation and layer closin…
The microstructure of AISI M2 high-speed steel can be substantially modified by a vacuum heat treatment, with the aim to improve the ratio of the hardness to the fracture toughness. This ratio is significantly affected by the volume fractions of undissolved eutectic carbides and retained austenite, as well as the mean…