Materials Literature
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Manganese oxide catalysts, both bulk and supported on γ-Al2O3 and SiO2, have been studied by Raman and FTIR spectroscopies, their phase composition being determined by X-ray diffraction. The supported catalysts were prepared via pore volume impregnation from nitrate precursors, the atomic ratio of manganese to alumini…
A major challenge for combined quantum mechanical and molecular mechanical methods (QM/MM) to study large molecules is how to treat the QM/MM boundary that bisects some covalent bonds. Here a pseudobond approach has been developed to solve this problem for ab initio QM/MM calculations: a one-free-valence atom with an…
An analysis is given of the consistency of calculated and measured electron inelastic mean free paths (IMFPs) near solid surfaces for electron energies between 50 and 104 eV, the energy range of relevance for surface analysis by Auger electron spectroscopy and x-ray photoelectron spectroscopy. This evaluation is based…
The impact of stress-driven structural transitions and of film strain on the magnetic properties of nm ferromagnetic films is discussed. The stress-induced bending of film-substrate composites is analysed to derive information on film stress due to lattice mismatch or due to surface-stress effects. The magneto-elastic…
The adsorption of hydrogen gas into single-walled carbon nanotubes (SWNTs) and idealized carbon slit pores is studied by computer simulation. Hydrogen-hydrogen interactions are modeled with the Silvera-Goldman potential. The Crowell-Brown potential is used to model the hydrogen-carbon interactions. Calculations includ…
This article reviews the structure, synthesis, host-guest reaction in aqueous phase, and ion-sieve and molecular-sieve properties of porous manganese oxide crystals. Tunnel and layered manganese oxides constitute a large family of porous materials having pore size from ultramicropores to mesopores. The manganese oxide…
Mechanics of Laminated Composite Materials. Hygrothermal Analysis of Laminated Composites. Laminate In-Plane Stiffness Design. Integer Programming Techniques. Failure Criteria for Laminated Composites. Strength Design of Laminates. Laminate Design for Flexural and Combined Response.
Thermodynamics of Grain Boundaries Introductory Remarks Thermodynamics of Surfaces Experiments Applications of Grain Boundary Thermodynamics The Equilibrium Shape of Grain Boundaries Structure of Grain Boundaries Terminology and Definitions Atomic Structure of Grain Boundaries Grain Boundary Motion Fundamentals Drivin…
Conjugated porphyrin polymers are giant supramolecular chromophores with extraordinary electrooptical and nonlinear optical properties. Close collaboration between synthetic organic chemists, chemical physicists and theoreticians has yielded new insights into the electronic structure of these remarkable materials. Alk…
Future applications for glass‐ceramics are likely to capitalize on designed‐in, highly specialized properties for the transmission, display, and storage of information. Glass‐ceramics with microstructures comprised of uniformly dispersed crystals <100 nm in size offer promise for many potential new applications as…
The vast majority of materials have a positive coefficient of thermal expansion and their volume increases on heating. There has been considerable recent interest in materials which display the unusual property of contracting in volume on heating; i.e. those with a negative coefficient of thermal expansion. This Persp…
Anode‐supported solid oxide fuel cells with yttria‐stabilized zirconia (YSZ) electrolyte, Sr‐doped (LSM) + YSZ cathode, and Ni + YSZ anode were fabricated and their performance was evaluated between 650 and 800°C with humidified hydrogen as the fuel and air as the oxidant. Maximum power densities measured were at 800°…
During the past decade, important advances have been made in the understanding of the hydrolytic degradation characteristics of aliphatic polyesters derived from lactic acid (LA) and glycolic acid (GA). Degradation of large poly(LAGA) (PLAGA) polymers is autocatalyzed by carboxyl end groups initially present or genera…
An overview is given of recent tests of the mode-coupling theory for the evolution of structural relaxation in glass-forming liquids. Emphasis is put on comparisons between the leading-order asymptotic formulae derived for the dynamics near glass transition singularities and the results of neutron scattering, depolari…
A mesoporous carbon with regular three-dimensionally interconnected 2 nm pore arrays using AlMCM-48 as a template has been synthesised; the mesoporous carbon exhibited excellent performance as an electrochemical double layer capacitor.
In this paper we present SFCHECK, a stand-alone software package that features a unified set of procedures for evaluating the structure-factor data obtained from X-ray diffraction experiments and for assessing the agreement of the atomic coordinates with these data. The evaluation is performed completely automatically…
PREFACE APPENDICES A. THE SHAPE OF SINGLE SOAP FILMS AND BUBBLES B. THE THEOREM OF LAMARLE C. BUBBLE CLUSTERS D. THE DECORATION THEORUM E. THE CONDUCTIVITY FORMULA OF LEMLICH F. THE DRAINAGE EQUATION G. PHYLLOTAXIS H. SIMULATION OF LIQUID FOAMS I. BIBLIOGRAPHY APPENDICES
Liquid microchannels on structured surfaces are built up using a wettability pattern consisting of hydrophilic stripes on a hydrophobic substrate. These channels undergo a shape instability at a certain amount of adsorbed volume, from a homogeneous state with a spatially constant cross section to a state with a single…
Diatoms are microscopic algae which are found in virtually every habitat where water is present. This volume is an up-to-date summary of the expanding field of their uses in environmental and earth sciences. Their abundance and wide distribution, and their well-preserved glass-like walls make them ideal tools for a wi…
A number of polynuclear d10 transition metal complexes have been found to exhibit interesting luminescence properties. The photoluminescence properties of polynuclear d10 metal complexes are highly diversified. In the presence of a wide range of bridging and ancillary ligands, the excited states of such complexes have…