Materials Literature
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Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic Korringa-Kohn-Rostocker method with coherent potential approximation to account for…
Half-Heusler compounds XYZ. also called serni-Heusler compounds, crystallize in the C1(b) MgAgAs structure, in the space group F (4) over bar 3m. We report a systematic examination of band gaps and the nature (covalent or ionic) of bonding in semiconducting 8- and 18-electron half-Heusler compounds through first-princ…
Fine particles of lithium ferrite were synthesized by the sol-gel method.By subsequent heat treatment at different temperatures, lithium ferrites of different grain sizes were prepared.A structural characterization of all the samples was conducted by the x-ray diffraction technique.A grain size of around 12 nm was obs…
The growth morphology and the effects of surface reconstruction/relaxation of the habit faces on the crystal morphology of urea crystal are investigated from first principle using the Hartman-Perdok approach. A procedure has been developed to find out surface termination when a slab of d(hkl) thickness is created havi…
In the R$\_{3}$Ga$\_{5}$SiO$\_{14}$ compounds, the network R of rare earth cations form well separated planes of corner sharing triangles topologically equivalent to a kagomé lattice. Powder samples and single crystals with R = Nd and Pr were prepared and magnetostatic measurements were performed under magnetic field…
We show how to extract the orbital contribution to the transport eigenchannels from a first-principles quantum transport calculation in a nanoscopic conductor. This is achieved by calculating and diagonalizing the first-principles transmission matrix reduced to selected scattering cross-sections. As an example, the or…
Chitosan has wide range of applications as a biomaterial, but barriers still exist to its broader use due to its physical and chemical limitations. The present study evaluated the properties of the polymeric blend films obtained from chitosan and potato starch by the casting/solvent evaporation method. The swelling pr…
Collagen is the most abundant protein in animals and the major component of connective tissues. Although collagen isolated from natural sources has long served as the basis for some biomaterials, natural collagen is difficult to modify and can engender pathogenic and immunological side effects. Collagen comprises a he…
We demonstrate the optical detection of DNA hybridization on the surface of solution suspended single-walled carbon nanotubes (SWNTs) through a SWNT band gap fluorescence modulation. Hybridization of a 24-mer oligonucleotide sequence with its complement produces a hypsochromic shift of 2 meV, with a detection sensitiv…
Half-Heusler compounds XYZ, also called semi-Heusler compounds, crystallize in the C1 b MgAgAs structure, in the space group . We report a systematic examination of band gaps and the nature (covalent or ionic) of bonding in semiconducting 8- and 18-electron half-Heusler compounds through first-principles density funct…
We have modelled the phase diagram of magnetic shape memory alloys of the Heusler type by using the phenomenological Ginzburg–Landau theory. When fixing the parameters by realistic values taken from experiment we are able to reproduce most details of, for example, the phase diagram of Ni 2+ x Mn 1− x Ga in the ( T , x…
The mechanism of corrosion protection of the widely used 2024-T3 aluminum alloy by cerium and lanthanum inhibitors in chloride media is described in detail in the present work. The corrosion process was investigated by means of scanning Kelvin probe force microscopy (SKPFM), in situ atomic force microscopy, and scanni…
The PILATUS 1M detector is a hybrid pixel array detector with over one million pixels that operate in single photon counting mode. The detector, designed for macromolecular crystallography, is the largest pixel array detector currently in use at a synchrotron. It is a modular system consisting of 18 multichip modules…
Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to their high Curie temperatures and their structural similarity to binary semiconductors. In this review we present an overview of the basic electronic and magnetic properties of both Heusler families: the so-called half-Heusler al…
Fibroblasts produce a spectrum of necessary growth factors essential for growth and proliferation of a variety of cell types. In this study, the paracrine effect of mitomycin-C-treated fibroblasts with various densities in collagen gel for keratinocyte proliferation was investigated from which an optimum cell density…
Soft and hard boundary effects on the flaw in self-healing capabilities of the nanoscale copper clusters and biomaterials have been studied using molecular dynamics simulations as well as the theoretical analyses. When the copper nanocluster size decreases to a compatible magnitude to its flaw, different boundary cond…
An experimental study using dielectric spectroscopy measurements is made on molecular motions as functions of temperature and pressure of polystyrene (PS) and poly(vinyl methyl ether) (PVME) mixtures having large difference in glass transition temperatures. For mixtures with high concentration of PS, the largest loss…
Polyamide 6 (PA6) was treated in the melt at 230 °C in a discontinuous mixer with diethyl maleate (DEM) and dicumyl peroxide (DCP). The grafting of DEM to PA6 chains was investigated by 1 H NMR analysis, and it reached easily up to 4.5 mol %. The grafted diethyl succinate groups (DES) can successively react with termi…
Abstract Small‐angle light scattering (SALS) measurements were used to study the structure of titanium dioxide (TiO 2 )/low‐density polyethylene (LDPE) nanocomposites. The results showed that the scattering from LDPE crystalline structures and the scattering from TiO 2 nanoparticles can be resolved and separated. It i…
Abstract A new type of positive α‐iPP spherulites has been developed by self‐seeding process. The growth process of these positive α‐iPP spherulites is just like “photographic development process,” which is very different from the conventional growth process of polymer spherulites. Scanning electron microscopy (SEM) w…