Materials Literature
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We present a cluster-based density-functional approach to model charge transport through molecular and atomic contacts. The electronic structure of the contacts is determined in the framework of density functional theory, and the parameters needed to describe transport are extracted from finite clusters. A similar pro…
In an effort to develop a chemically reactive interaction potential suitable for application to the study of conventional, organic explosives, we have modified the diatomic AB potential of Brenner et al. such that it exhibits improved detonation characteristics. In particular, equilibrium molecular dynamics (MD) calcu…
Ultra-low density polymers, metals, and ceramic nanofoams are valued for their high strength-to-weight ratio, high surface area and insulating properties ascribed to their structural geometry. We obtain the labrynthine internal structure of a tantalum oxide nanofoam by X-ray diffractive imaging. Finite element analysi…
The technique of obtaining of p+-n-type gallium phosphide diode epitaxial structures from liquid phase was developed as well as pilot samples of diode temperature sensors were fabricated based on them. Thermometric and current-voltage characteristics of the test diodes were measured in the temperature range of 80 / 52…
Magnetic measurements and 57Fe Mossbauer spectroscopy studies were performed on oxygen- deficient high temperature superconductor SmFeAsO0.85 with TC=52.4 K. The upper-critical behavior (HC2) values were extracted from the real part of ac measurements. The field dependence of HC2 is consistent with a two band model. M…
We have experimentally found related anomalies in electrical resistivity, dc and ac magnetic susceptibility, appearing deeply within ferromagnetically ordered state in SrRuO3. Lack of Jahn-Teller distortion in this regime rules out conventional orbital order, forcing one to describe these in terms of an orbital liquid…
We investigate equal spheres packings generated from several experiments and from a large number of different numerical simulations. The structural organization of these disordered packings is studied in terms of the network of common neighbours. This geometrical analysis reveals sharp changes in the network's cluster…
Resonance Raman scattering is used to determine the radial breathing mode (RBM) frequency $({\ensuremath{\omega}}_{\text{RBM}})$ dependence on tube diameter $({d}_{t})$ for single-wall carbon nanotubes (SWNTs). We establish experimentally the ${\ensuremath{\omega}}_{\text{RBM}}=227.0/{d}_{t}$ as the fundamental relati…
Two new single-component, highly cross-linked polymeric materials have been developed that are capable of undergoing repeated cycles of mending. On the basis of the thermally reversible Diels−Alder (r-DA) cycloaddition reaction, these materials are comprised of a dicyclopentadiene core which acts as both diene and die…
Stable dispersions of single-walled carbon nanotubes in deionized water were prepared using six common surfactants: sodium dodecylbenzene sulfonate (SDBS), sodium dodecyl sulfate (SDS), lithium dodecyl sulfate (LDS), tetradecyl trimethyl ammonium bromide (TTAB), sodium cholate (SC), and Fairy liquid (FL). For all nano…
The rapidly increasing production of engineered nanoparticles has created a demand for particle removal from industrial and communal wastewater streams. Efficient removal is particularly important in view of increasing long-term persistence and evidence for considerable ecotoxicity of specific nanoparticles. The prese…
Increasing application of nanotechnology highlights the need to clarify nanotoxicity. However, few researches have focused on phytotoxicity of nanomaterials; it is unknown whether plants can uptake and transport nanoparticles. This study was to examine cell internalization and upward translocation of ZnO nanoparticles…
The mechanical actuation of a (5, 5) single-walled carbon nanotube as a result of added charge is simulated using first-principles calculations. It is observed that while both positive and negative charging tend to expand the nanotube in the axial direction for most levels of charge, radial actuation is less even and…
The impact strength of V-notched U-notched and non-notched specimens of hollow glass bead filled polypropylene composite (PP/HGB) were measured by using Charpy impact tester, and the directed gray relational grade (GRG) between the HGB size distribution and the impact strength of the composites was determined by means…
In this paper, we present a facile and robust approach to synthesize multifunctional organic/inorganic composite microspheres with chitosan-poly(methacrylic acid) (CS-PMAA) shells and cadmium tellurium/iron oxide nanoparticle cores. Due to the strong electrostatic interaction between the negatively charged nanoparticl…
Farnesyltransferase enzyme (FTase) is an interesting target for anticancer therapy that has been the subject of particular attention over the past decade. However, despite of the thrilling achievements in the development of farnesyltransferase inhibitors (FTIs) over the past few years, the farnesylation mechanism rema…
Abstract The metathesis reaction between two equivalents of [Ln(tpp)(H 2 O) 3 ]Cl (Ln = Yb, Er; tpp 2– = tetraphenylporphyrinate dianion) and one equivalent of cyanometallate in dmf at room temperature under nitrogen for 24 hours gave the cyanido‐bridged d–f trinuclear complexes [{Ln(tpp)(dmf) n } 2 {(μ‐NC) 2 M(CN) 2…
The electronic transport properties of ordered networks using carbon nanotubes as building blocks (ON-CNTs) are investigated within the framework of a multiterminal Landauer-Buttiker formalism using an s,p(x),p(y),p(z) parameterization of the tight-binding Hamiltonian for carbon. The networks exhibit electron pathway…
Patterned poly(acrylic acid) (PAA)/poly(allylamine hydrochloride) (PAH) multilayer films with line structures of different lateral size and vertical height were fabricated by a room-temperature imprinting technique, and their cell adhesion properties were investigated. The nonimprinted PAA/PAH multilayer films are cyt…
� Abstract—This paper presents the simulation the results of electric field and potential distributions along surface of silicone rubber polymer insulators. Near the same leakage distance subjected to 15 kV in 50 cycle salt fog ageing test, alternate sheds silicone rubber polymer insulator showed better contamination…