Materials Literature
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<div class="htmlview paragraph">Future emission limits of diesel engines require additional effort for developing adequate and advanced exhaust gas aftertreatment devices. Urea-SCR systems are a promising approach to reduce nitric oxide emissions. Computer models as a complementary tool to experimental investiga…
Treppenförmige Strukturen in den Hystereseschleifen bei 0.04 K (siehe Bild) werden von dotierten Einkristallen von TBA[(Pc)2] (Pc=Phthalocyaninato, TBA=Tetrabutylammonium), dem ersten Lanthanoid-Einzelmolekülmagneten, erzeugt. Sie werden mit einem resonanten Quantentunneln der Magnetisierung zwischen verschränkten Zus…
Nonequilibrium molecular-dynamics (MD) simulations show that shock-induced void collapse in copper occurs by emission of shear loops. These loops carry away the vacancies which comprise the void. The growth of the loops continues even after they collide and form sessile junctions, creating a hardened region around the…
Two methods to improve the dispersion, interfacial adhesion and properties of polymer mixtures are presented. Infrared spectroscopy and optical microscopy results document that control of the spacing of interacting moieties along the polymer chain results in optimal intermolecular hydrogen bonding and improved miscibi…
We have investigated the chemical distributions and the local electronic structure of potential diluted magnetic semiconductor Ge0.94Mn0.06 single crystals using scanning photoelectron microscopy (SPEM), x-ray absorption spectroscopy (XAS), and photoemission spectroscopy (PES). The SPEM image shows the stripe-shaped m…
<div class="htmlview paragraph">A dynamic system model for simulating the transient performance of a NO<sub>x</sub> aftertreatment system using Selective Catalytic Reduction with urea as a reductant (urea-SCR) was developed, calibrated for a heavy-duty engine application, and used to develop a closed…
Electromechanical imaging of tooth dentin and enamel has been performed with sub-10 nm resolution using piezoresponse force microscopy. Characteristic piezoelectric domain size and local protein fiber ordering in dentin have been determined. The shape of a single collagen fibril in enamel is visualized in real space a…
There have been recent reports of charge ordering around $x=0.5$ in the bilayer manganites. At $x=0.5$, there appears to be a coexistence region of layered A-type antiferromagnetc and charge order. There are also reports of orbital order in this region without any Jahn-Teller effect. Based on physical grounds, this re…
Due to the dispersion of optical phonons, long range electron-phonon correlations renormalize downwards the coupling strength in the Holstein model. We evaluate the size of this effect both in a linear chain and in a square lattice for a time averaged {\it e-ph} potential, where the time variable is introduced accordi…
The equilibrium thermodynamics of the two dimensional Su-Schrieffer-Heeger Model is derived by means of a path integral method which accounts for the variable range of the electronic hopping processes. While the lattice degrees of freedom are classical functions of time and are integrated out exactly, the electron par…
<div class="htmlview paragraph">Hydrogen is frequently cited as a future energy carrier. Hydrogen allows a further optimization of internal combustion engines, especially with direct injection. In order to assess various concepts, detailed thermodynamic analyses were carried out. Effects, which can be neglected…
The replacement of SiO2 by so-called high-k oxides is one of the major challenges for the semiconductor industry to date. Based on electronic structure calculations and ab-initio molecular dynamics simulations, we are able to provide a consistent picture of the growth process of a class of epitaxial oxides around SrO…
We present some mathematical results concerning the strip projection method and a computer program for generating quasiperiodic packings of decagonal two shell-clusters.
We have performed extensive zero-field thermal conductivity measurements on single crystal samples of \LiHoF and \LiYHoF below $2.3 K$. By comparing these data to a single ion scattering model, we have shown that the thermal conductivity of \LiYHoF is dominated by simple single-ion scattering while that of \LiHoF show…
Angle-resolved photoemission spectroscopy of ZrTe3 has been performed from room temperature(T) down to 6 K (across Tcdw = 63K) to study the charge-density-wave (CDW) fluctuation effects in a metallic CDW compound having Fermi surface (FS) sheets with differing dimensionality. While spectra on the 3-dimensional(D) FS s…
Staircase-like structures in the hysteresis loops at 0.04 K (see picture) are shown by doped single crystals of TBA[(Pc)2]− (Pc=phthalocyaninato, TBA=tetrabutylammonium), the first lanthanide single-molecule magnet. They are assigned to resonant quantum tunneling of magnetization between entangled states of the electr…
We examined the influence of complex diffraction effects on low-coherence fringes created for high-aspect depth-to-width ratio structures called trenches. The coherence function was analyzed for these micrometer-wide trenches and was registered with a white-light interference microscope. For some types of surface stru…
We have studied the modification in the Surface morphology of the Si(100) surfaces after 1.5 MeV Sb implantation. Scanning Probe Microscopy has been utilized to investigate the ion implanted surfaces. We observe the formation of nano-sized defect features on the Si surfaces for various fluences. These nanostructures a…
The determination of pyruvate formate lyase crystallographic structure brought new insights to its mechanism of reaction and presented the possibility of a direct attack to the substrate from cysteine 418 as opposed to the previously expected cysteine 419. An inhibition study performed by Knappe and co-workers, using…
A polymer, PMGI, serves as a template to generate uniformly distributed iron nanoparticles with controlled size. These nanoparticles have proven to be excellent catalysts for generating carbon nanotubes (CNTs). The catalyst locations can be defined by a single photolithography step for spatially selective growth of CN…