Materials Literature
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The present paper discusses magnetic confinement of the Dirac excitations in graphene in the presence of inhomogeneous magnetic fields. In the first case a magnetic field directed along the z axis whose magnitude is proportional to 1/r is chosen. In the next case we choose a more realistic magnetic field which does no…
Ageing of non-ceramic insulation can conduct into failures of the power system, where usually pollution plays an important role in the degradation process. These failures cannot be evaluated by applying IEC 61109 ageing tests, because such tests are considered as screening tests and up to now these tests are quite que…
The extracellular matrix is fast emerging as important component mediating cell-cell interactions, along with its established role as a scaffold for cell support. Collagen, being the principal component of extracellular matrix, has been implicated in a number of pathological conditions. However, collagens are complex…
Phosphomannomutase/phosphoglucomutase contributes to the infectivity of Pseudomonas aeruginosa, retains and reorients its intermediate by 180°, and rotates domain 4 to close the deep catalytic cleft. Nuclear magnetic resonance (NMR) spectra of the backbone of wild-type and S108C-inactivated enzymes were assigned to at…
Biexcitons in fractional dimensional spaces are studied using variational quantum Monte Carlo. We investigate the biexciton binding energy as a function of the electron-hole mass fraction $\ensuremath{\sigma}$ as well as study the dimensional dependence of biexcitons for $\ensuremath{\sigma}=0$ and $\ensuremath{\sigma…
Experiments suggest that adsorbing halogen atoms on an oxide surface can improve its catalytic properties. We use density functional theory to examine the dissociative adsorption of Br 2 and of HBr on La 2 O 3 (001) and on La 2 O 3 (001) doped with Mg or Zr. We find that the presence of Br on the surface makes it much…
Abstract In this article, we report the mechanical and thermal properties, together with the crystallization and flammability behaviors, of pure polypropylene (PP) and PP/aramid fiber (AF) composites with AF loadings of 5, 10, 20, 30, and 40 wt %. The mechanical properties of the samples were evaluated by tensile and…
A modified Voronoi tessellation (MVT) is proposed for the computer simulation of realistic microstructures. Compared with standard tessellations, the present algorithm provides the desired grain size distribution in a one-step, non-evolutionary procedure. This is obtained by relaxing the constraints of Voronoi tessell…
Textured surfaces consisting of nanometer- to micrometer-sized lightly sulfonated polystyrene ionomer (SPS) particles were prepared by rapid evaporation of the solvent from a dilute polymer solution-cast onto silica. The particle textured ionomer surfaces were prepared by either spin-coating or solution-casting ionome…
Cation exchange (CX) in the nonfluorescent ZnS nanocrystal clusters (NCCs) was employed to detect trace biomolecules with immunoassays. The NCCs were porous and allowed fast cation exchange reaction to release an ultralarge number of Zn(2+) from each cluster that turned on the Zn-responsive dyes for fluorescence detec…
Recently, there has been a lot of interest in using gold nanoparticles (GNPs) for biomedical applications due to their biocompatibility. To increase GNP cell uptake and circulation half-life, and to improve its bio-distribution in vivo, we chose to coat GNPs with 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glyce…
The spin reorientation temperature T(SR) of stoichiometric Fe(3)O(4), as well as of magnetite with a small number of vacancies and magnetite containing a low concentration of Ti, Zn, Al and Ga was measured on single-crystal samples using the ac susceptibility. In the same experiment the temperature T(V) of the Verwey…
The interaction of water with titanium dioxide (TiO 2 ) nanosheets has been studied under the framework of density functional theory plus Hubbard model. Particularly, the effect of an oxygen vacancy and a titanium vacancy on the dissociation of water has been investigated. It is found that molecular adsorption is favo…
Abstract Para ‐biguanidinyl benzoyl chitosan hydrochloride ( p ‐BGBC) is prepared with chitosan (CTS) and para ‐biguanidinyl benzoyl chloride, which is synthesized by acidchloride reaction of para ‐biguanidinyl benzonic acid hydrochloride ( p ‐BGBA), as starting material in the medium consisted of MeSO 3 H and dimethy…
Using the Kubo formula we develop a general and simple expression for the minimal conductivity in systems described by a $2\ifmmode\times\else\texttimes\fi{}2$ Hamiltonian. As an application we derive an analytical expression for the minimal conductivity tensor of bilayer graphene as a function of a complex parameter…
Abstract A solvothermal process was developed to in situ prepare epoxy (EP)/TiO 2 hybrid precursors. The chemical structure of samples was confirmed by X‐ray and Fourier transformed infrared spectroscopy. Field emission scanning electron microscope micrographs of cured EP/TiO 2 hybrid composites showed that well‐dispe…
We have simulated the relative shear motion of both neutral and polyelectrolyte end-grafted polymer brushes using molecular dynamics. The flexible neutral polymer brush is treated as a bead-spring model, and the polyelectrolyte brush is treated the same way except that each bead is charged and there are counterions pr…
Carbon nanotubes (CNT) are an attractive reinforcement material for several composites, due to their inherently high strength and high modulus of elasticity. There are controversial results for cement paste with admixed CNT up to 500 µm in length. Some results show an increase in flexural or compressive strength, whil…
The size-dependent electronic, structural, and magnetic properties of Mn-doped gold clusters have been systematically investigated by using relativistic all-electron density functional theory with generalized gradient approximation. A number of new isomers are obtained for neutral MnAu(n) (n = 1-16) clusters to probe…
Fatigue life, morphological studies, and thermal aging properties of rattan powder-filled natural rubber (NR) composites were investigated as a function of filler loading and a silane coupling agent. NR composites were prepared by the incorporation of rattan powder in the range of 0 to 30 phr into a NR matrix with a l…