Materials Literature
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We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state many-body wavefunction for different values of the Coulomb coupling constant. We us…
Tempering of polystyrene films containing the novel liquid crystalline coronenebis(dicarboximide)s 2, which are formed by an easy route from perylene-3,4;9,10-tetracarboxylic dianhydride (1), leads to a shift of the emission within a few seconds. This could be used for dot-by-dot coloring and thus optical displays. Th…
We present Monte Carlo and Langevin micromagnetic calculations to investigate thermal switching of single-domain ferromagnetic particles. For the Monte Carlo study we place particular emphasis on the probability that the magnetization does not switch by time t. We find that this quantity has different behaviors in dif…
We present an overview of the subject of Magnetic Particles, starting at a level suitable for advanced high-school students and ending at a level suitable for current practitioners in the field. The sub-topics covered include: Types of Magnetic Materials, Relationships Between the Vector Fields, Magnetic Energies, Dyn…
Polylactic acid (PLA) polymer film was degraded in abiotic and biotic environments to understand the role of microbes in the degradation process of lactic acid based polymers. The degradation studies were conducted in a well-characterized biotic system, an abiotic system, a sterile aqueous system, and a desiccated env…
The development of inelastic x-ray scattering with millielectron volt energy resolution at the European Synchrotron Radiation Facility in Grenoble, France, provides a method for studying high-frequency collective dynamics in disordered systems. This has led to the observation of propagating acoustic phonon-like excita…
A new generation of nonionic surfactants that are widely applicable and simultaneously ecologically compatible has been developed in the alkyl polyglycosides. Their production from the renewable resources glucose and fatty alcohol and their ultimate biodegradation into carbon dioxide, water, and assimilated bacterial…
The equilibrium and kinetics of the protonation of 5,10, 15,20-tetraphenylporphyrin (H 2 TPP) and the demetalation of 5,10,15,20-tetraphenylporphyrinatozinc(II) (ZnTPP) at a dodecane−aqueous acid interface were investigated by means of a new in situ spectrophotometric method, the centrifugal liquid membrane method, wh…
The behavior of the compensation temperature of a mixed Ising ferrimagnetic system on a square lattice in which the two interpenetrating square sublattices have spins $σ$ ($\pm 1/2$) and spins $S$ ($\pm 1,0$) has been studied with Monte Carlo methods. Our model includes nearest and next-nearest neighbor interactions,…
The Douglas-Kroll transformed Dirac-Coulomb Hamiltonian is used to describe scalar-relativistic effects in solids. A Hartree-Fock approximation with periodic boundary conditions makes it feasible to use methods originally developed for atoms and molecules to solve the corresponding equations for crystalline systems. T…
Phenomenological equations describing the Seebeck, Hall, Nernst, Peltier, Ettingshausen, and Righi-Leduc effects are numerically solved for the temperature, electric current, and electrochemical potential distributions of semiconductors under magnetic field. The results are compared to experiments.
An update is presented of the activities of the American Society for Testing and Materials (ASTM) Committee C-28 on Advanced Ceramics. Since its inception in 1986, this committee, which has five standard producing subcommittees, has written and published over 32 consensus standards. These standards are concerned with…
NGK Spark Plug Co., Ltd. has been developing various silicon nitride materials, and the technology for fabricating components for ceramic gas turbines (CGT) using theses materials. We are supplying silicon nitride material components for the project to develop 300 kW class CGT for co-generation in Japan. EC-152 was de…
Novel disazo dyes containing tetrafluoro -p- phenylene moiety(ies) have been synthesized. The absorption bands of these compounds were observed in the range of 432−555 nm in ZLI-4792. The introduction of tetrafluoro -p- phenylene moieties in both the terminal ends was very effective in increasing the solubility. The 4…
The aim of this work is to investigate the performance of Internal Reforming Solid Oxide Fuel Cell (IRSOFC) and Gas Turbine (GT) combined cycles. To study complex systems involving IRSOFC a mathematical model has been developed that simulates the fuel cell steady-state operation. The model, tested with data available…
This paper investigates the thermodynamic potential of the integrated Solid Oxide Fuel Cell - Gas Turbine technology for medium and large scale electric power production. After detailed description of the adopted calculation model, the performances of a variety of plant configurations are presented. The obtained resul…
Reaction of long-chain alkyl-substituted pyrazoles with AuCl(SMe 2 ) yields trinuclear gold(I) pyrazolate complexes, two of which exhibit monotropic mesophases. Optical microscopy and/or X-ray diffraction studies show that these compounds form hexagonal columnar mesophases. They are only the third examples of discotic…
Lattice mismatch in layered semiconductor structures with submicron length scales leads to extremely high nonuniform strains. This paper presents a finite element technique for incorporating the effects of the nonuniform strain into an analysis of the electronic properties of SiGe quantum structures. Strain fields are…
We present a simple, general energy functional for ferromagnetic materials based upon a local spin density extension to the Stoner theory of itinerant ferromagnetism. The functional reproduces well available ab initio results and experimental interfacial energies for grain boundaries in iron. The model shows that inte…
Following on the success of the recent application of holographic LEED to the determination of the 3D atomic geometry of Si adatoms on a SiC(111) p(3x3) surface, which enabled that structure to be solved, we show in this paper that a similar technique allows the direct recovery of the local geometry of adsorbates form…