Materials Literature
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We have studied the magnetic and structural properties of ${\mathrm{PrBaCo}}_{2}{\mathrm{O}}_{5.50}$ and ${\mathrm{GdBaCo}}_{2}{\mathrm{O}}_{5.50}$ using neutron and synchrotron techniques between 10 and $425\phantom{\rule{0.3em}{0ex}}\mathrm{K}$. A unique structural transition has been detected in this temperature ra…
The diffusivity of spherical colloidal particles close to a planar hard wall is studied by dynamic light scattering with evanescent illumination. A novel setup allows us to independently vary the scattering vector components parallel Q parallel and normal Q perpendicular to the wall. An expression for the initial deca…
The consideration of space charge effects at interfaces results in the prediction of considerable storage anomalies in two-phase materials. They are particularly expected in nano-sized systems building a bridge between chemical and electrostatic storage. These effects are systematically treated in the model of an abru…
We report on studies of the charge transport mechanism of the composites of multiwalled carbon nanotubes (MWCNTs) and poly (methyl methacrylate) (PMMA). The MWCNTs were synthesized by a chemical vapor deposition method using Fe as a catalyst. The dc conductivity $({\ensuremath{\sigma}}_{\mathit{dc}})$ and its temperat…
Orb-web weaving spiders depend upon the mechanical performance of capture threads to absorb the energy of flying prey. Most orb-weavers spin wet capture threads with core fibers of flagelliform silk. These threads are extremely compliant and extensible due to the folding of their constituent proteins into molecular na…
The growth of magnetic films with ferromagnetic interactions between nearest-neighbor spins is studied in $(d+1)-$dimensional rectangular geometries for $d = 1,2$. Magnetic films are grown irreversibly by adding spins at the boundaries of the growing interface. The orientation of the added spins depends on both the en…
Granular flows due to simultaneous vertical and horizontal excitations of a flat-bottomed cylindrical pan are investigated using event-driven molecular dynamics simulations. In agreement with recent experimental results, we observe a transition from a solid-like state, to a fluidized state in which circulatory flow oc…
We use 2H NMR stimulated-echo spectroscopy to measure two-time correlation functions characterizing the polymer segmental motion in polymer electrolytes PPO-LiClO4 near the glass transition temperature Tg. To investigate effects of the salt on the polymer dynamics, we compare results for different ether oxygen to lith…
A modified clay was used to prepare waterborne polyurethane (WPU)/clay nanocomposite dispersions in this study. XRD and TEM examinations indicate that the clay platelets are exfoliated. Moreover, AFM phase image of the WPU/clay film shows that the isolated clay-rich phases are surrounded by a continuous WPU-rich phase…
Abstract Conducting polythiophene (PTh)/single‐wall carbon nanotubes (SWNTs) composites were synthesized by the in situ chemical oxidative polymerization method. The resulting cablelike morphology of the composite (SWNT–PTh) structures was characterized with elemental analysis, X‐ray photoelectron spectroscopy, Raman…
The latent heat (L) of orbital order-disorder transition in single-valent perovskite manganite series La(1-x)R(x)MnO3 (R = Pr, Nd, Gd; x = 0.0-1.0) decreases with the decrease in average R-site radius following a universal scaling law L.^2/sigma^2 ~ exp (), where sigma^2 is the variance in R-site radius, and eventuall…
We study the dipole formation at the surface formed by -CH3 and -CF3 terminated shortchain alkyl-thiolate monolayers on Au(111). In particular, we monitor the change in work function upon chemisorption using density functional theory calculations. We separate the surface dipole into two contributions, resulting from t…
The photoconductive characteristics of CdS single nanoribbons were investigated. The device characteristics, including spectral response, light intensity response, and time response, were studied systematically. It is found that CdS nanoribbon has the response speed substantively faster than those ever reported for co…
By using extensive MD simulations the free-energy landscape of the crystallization process of a single polyethylene chain with N = 500 monomers is determined and the roles of both the potential energy and the entropy in shaping its gross features are discussed.
The title double salt, K2Na4[V10O28]·18H2O, crystallizes with a decavanadate polyanion that has twofold crystallographic symmetry. All atoms in the structure are on general positions, except two Na atoms which are located on a twofold axis. In the crystal structure, chains made up of edge- and face-sharing [KO9] and…
Molecular dynamics simulations have proven to be accurate in predicting depth distributions of low-energy ions implanted in materials. Free parameters adjusted for every ion-target combination are conventionally used to obtain depth profiles in accordance with the experimental ones. We have previously developed a mode…
The electronic structures and stability of nitrogen nanostructures, nanotubes, and fiberlike nanoneedles of various diameters, formed by units N2m (m = 2-6), were studied by quantum chemistry computational modeling methods. The geometrical structures with various cross-sections and terminal units, their energetic stab…
In this talk we provide an overview of our theoretical and computational work on potential electromagnetic applications of metamaterials. In particular, we focus on the classes of isotropic materials with anomalous values of their effective constitutive parameters, which may be negative, double negative and/or close t…
Manganese oxide thin films were deposited using thermal evaporation from a tungsten boat. Films were deposited under an oxygen atmosphere, and the effects of thickness, substrate temperature, and deposition rate on their properties were investigated. The chemical properties of the films were studied using x-ray photoe…
A series of Shore 80A polyether polyurethanes were synthesized with from 0 to 6% fluoropolymer surface modifying endgroups (SME) to provide the bulk properties of the polyurethane with the surface properties of the fluoropolymer. It was theorized that the fluoropolymer would migrate to the surface, forming a monolayer…