Materials Literature
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The adsorption behaviors and electronic properties of Sn on the CeO 2 (111) surface were systematically investigated using the density functional theory (DFT) method. Our results suggested that Sn on the hollow site is more stable than that on the top oxygen site at the coverage of 0.25 ML, while Sn on the top oxygen…
Control of electron spins in individual magnetically doped semiconductor nanostructures has considerable potential for quantum information processing and storage. The manipulations of dilute magnetic interactions have largely been restricted to low temperatures, limiting their potential technological applications. Amo…
We use density functional theory to investigate the influence of surface vacancies on the surface stability of a stoichiometric freestanding LaAlO${}_{3}$ (001) thin film. Defect-free three- and five-unit-cell-thick LaAlO${}_{3}$ (001) thin films show macroscopic electric fields of 0.28 and 0.22 V/\AA{}, respectively.…
Using Derjaguin's approximation, we have evaluated the interaction energy associated with van der Waals, electrostatic, depletion, and capillary forces between colloidal spheroids. If the interaction range between spheroids is distinctly smaller than the lengths of their principal axes, then simple pair potentials tha…
Silicon nanocrystals embedded in an oxide matrix formed in a multilayer architecture were deposited by the magnetron sputtering method. By means of Raman spectroscopy we have found that compressive stress is exerted on the silicon nanocrystal core. The stress varies as a function of silicon concentration (O/Si ratio)…
Parametric shape instability of sonoluminescing argon bubbles in water and aqueous H(2)SO(4) was numerically analyzed considering gas and liquid density variations. The employed model couples Gilmore, Tait (liquid) and van der Waals (gas) equations to simulate radial dynamics and density changes, respectively. Shape s…
PHYSICA SCRIPTA, ISSN : 0031-8949, DOI: 10.1088/0031-8949/84/02/025704, Issue : 2, Volume :84, AOUT 2011.
Abstract Flocculation of the filler particles in isotactic poly(propylene)/carbon black (iPP/CB) composite melts provides a way to understand electrical and rheological percolation processes. The iPP/CB composites were prepared by mild compounding to ensure a good filler dispersion. Electrical and dynamic rheological…
Phonon properties predicted from lattice dynamics calculations and the Boltzmann Transport Equation ( BTE ) are used to elucidate the thermal‐transport properties of ionic materials. It is found that a rigorous treatment of the Coulombic interactions within the harmonic analysis is needed for the analysis of the phono…
The characterization of aluminum waste (AW) as a supplementary cementitious material (SCM) and its effect on concrete properties were investigated. This paper proposes a model for the prediction of the compressive strength of AW-cement concrete using Scheffe’s theory. The powder (material) derived from aluminum smelti…
Abstract Al‐doped ZnO nanoparticle thin films were prepared on glass substrate at the optimum temperature of (410±10) °C by spray pyrolysis technique using zinc nitrate as a precursor solution and aluminium chloride as a dopant. The dopant concentration (Al/Zn at%) was varied from 0 to 2 at%. Structural analysis of th…
We previously showed that in Azotobacter vinelandii, accumulation of polyhydroxybutyrate (PHB) occurs mainly during the stationary phase, and that a mutation in phbR, encoding a transcriptional regulator of the AraC family, reduces PHB accumulation. In this study, we characterized the roles of PhbR and RpoS, a central…
The structures of ideal armchair (5,5) single-wall carbon nanotubes (SWCNTs) of different lengths (3.7, 8.8, and 16.0 Å for C 40 H 20 , C 80 H 20 , and C 140 H 20 ) and with 1–10 hydroxyl groups at the end of the nanotube were fully optimized at the B3LYP/3-21G level, and in some cases at the B3LYP/6-31G* level, and t…
Lithotripter shock waves (SWs) generated in non-degassed water at 0.5 and 2 Hz pulse repetition frequency (PRF) were characterized using a fiber-optic hydrophone. High-speed imaging captured the inertial growth-collapse-rebound cycle of cavitation bubbles, and continuous recording with a 60 fps camcorder was used to t…
Abstract Poly(amic acid) (PAA) hybrids with organically modified montmorillonite (Cloisite 30B) were synthesized from N , N ′‐dimethylacetamide (DMAc) solution. These hybrids were heated at various temperatures, yielding 64‐ to 68‐μm thick films of polyimide (PI)/Cloisite 30B hybrids with various clay contents (0–1.5…
We examine the relevance of magnetoelastic coupling to describe the complex magnetic and structural behavior of the different classes of the iron superconductors. We model the system as a two-dimensional metal whose magnetic excitations interact with the distortions of the underlying square lattice. Going beyond the m…
Abstract The effect of blending on the self‐healing behavior of an ethylene/methacrylic acid copolymer ionomer is investigated. Binary EMNa/EVA and EMNa/ENR blends are studied by ballistic puncture tests. In the composition range explored (15–50 wt% of EVA and ENR), the self‐healing characteristics decrease with incre…
Lyotropic nanowire dispersions are attractive precursors for semiconductor device fabrication because they permit the alignment control of active nanomaterials. The reliable production of nanowire-based mesophases, however, is very challenging in practice. We show that appropriately functionalized high-aspect-ratio na…
Sheets of graphene and arrays of single-walled carbon nanotubes (SWNTs) are formed separately using chemical vapor deposition techniques onto different optimized growth substrates. Techniques of transfer printing provide a route to integration, yielding two terminal devices and transistors in which patterned structure…
When a small radiating or scattering object is placed near a multilayer array of plasmonic nanospheres, on the other side the optical near field is enhanced due to the excitation of resonant modes in the layers. For some particular frequencies, the field behind the array is concentrated in a subwavelength region, crea…