An effective quantum potential for particle–particle interactions in three-dimensional semiconductor device simulations

The classical Coulomb potential and force can be calculated efficiently using fast multi-pole methods. Effective quantum potentials, however, describe the physics of electron transport in semiconductors more precisely. Such an effective quantum potential was derived previously for the interaction of an electron with a barrier for use in particle-based Monte Carlo semiconductor device simulators. The method is based on a perturbation theory around thermodynamic equilibrium and leads to an effective potential scheme in which the size of the electron depends upon its energy and which is parameter-free. Here we extend the method to electron-electron interactions and show how the effective quantum potential can be evaluated efficiently in the context of many-body problems. Finally several examples illustrate how the momentum of the electrons changes the classical potential.     

Phase Transformations and Grain Growth in β-stabilized TiAl Alloys

Solid-state phase transformations and grain growth of an intermetallic γ-TiAl alloy were investigated in-situ using high-temperature laser scanning confocal microscopy (HTLSCM). During isothermal annealing in the single β-phase region, significant grain coarsening was observed. On cooling beneath the β-transus temperature with different rates, a CCT diagram was evaluated for the initiation of β to α phase transformation and changes in the morphology were observed.     

Synthesis and antiapoptotic activity of a novel analogue of the neutral sphingomyelinase inhibitor scyphostatin

The enantioselective synthesis of an analogue of scyphostatin, a potent inhibitor of the neutral sphingomyelinase, is described. The synthesis starts with cyclohexanone and a protected D-serine derivative. The key step is an asymmetric hydroxylation to access a hydroxycyclohexanone, which is transformed into a substituted hydroxycyclohexenone. This is converted into the scyphostatin analogue 14, a chemically and metabolically stabilised compound lacking the epoxy function of the natural congener and carrying a palmitic acid group instead of the native trienoyl residue. An evaluation of the biological activity of 14 revealed neutral sphingomyelinase inhibition in several in vivo test systems (monocytes, macrophages, hepatocytes) monitoring antiapoptotic effects and the inversion of phorbolester-induced translocation of green fluorescent protein labelled kinase (protein kinase C-alpha).     

Improved γ-alumina support based pseudo-boehmite shaped by micro-extrusion process for oxygen carrier support application

γ-Alumina extrudates for chemical-looping combustion in fluidized bed reactors were shaped by varying acetic acid concentrations between 0.07 and 3.76 M. Influence of pseudo-boehmite peptization on structural properties, microstructure, chemical phases and attrition resistance was determined. With addition of acetic acid, the d₉₀ of boehmite agglomerates after 1 h kneading decreased from 134 to 40 μm at pH 4. Due to this, the extrusion diameter was reduced from 1500 to 200 μm, as well as median pore radii (from 30.1 to 5.3 nm). Porosity was about 70%. Addition of more than 1.87 M acid lead to a slight increase in mesopore sizes caused by some pore blocking caused by the formation of aluminium acetate salts. A small micropore surface was determined with t-layer model from Harkins and Jura. Higher attrition resistance was observed for samples peptized with lower acid concentration because of the closer contact between particles after decomposition.     

Synthesis of Hard Materials by Field Activation: The Synthesis of Solid Solutions and Composites in the TiB2–WB2–CrB2 System

The synthesis of solid solutions of (Ti,W,Cr)B₂ from elemental reactants using the field-activated, pressure-assisted synthesis method and employing the SPS apparatus was investigated. The nature of the products depended on temperature; they were nearly pure solid solutions at 1900°C with minor amounts of β-WB. The product density and microhardness depended on the temperature of synthesis for the same value of applied pressure (64 MPa). Samples with the highest density (94%) corresponded to a hardness of 22.7 GPa. When annealed at 1500°C, the solid solutions decomposed, precipitating a (W,Ti,Cr)B₂ phase in a spinodal form. In addition, β-WB precipitates in the form of thin (0.4–5.3 nm) layers were observed. They existed in a 60°/120° orientation to the (Ti,W,Cr)B₂ matrix, in agreement with previous observations. Highly faceted, small (nanosized) pores associated with the β-WB precipitates were also observed.