A two-scale simulation method accounting for thermal effects during turning

During chip formation in turning processes, mechanical work is dissipated into thermal energy by plastic deformations and frictional processes. In case of dry cutting, the generated heat is in part removed with the chips while the rest flows into the tool and the workpiece. Within the latter, the temperature increases due to this heat flow, which in turn causes thermal expansions that increase the cutting depth and thus induce deviations from the nominal workpiece geometry. These effects are treated separately by a local model for the chip formation and a global model for the whole workpiece in order to determine the temperature distribution inside the workpiece and the dependent thermal expansion. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Theory of 31P Chemical Shifts

Abstract

The IGLO (individual gauge for localized orbitals) method¹, has been applied successfully to organic molecules.² The application to phosphorous compounds is more laborious, mainly since larger basis sets are required. By the IGLO method one obtains the chemical shielding as a sum of contributions of localized orbitals. For ³¹P the dominant contributions come from the K-shell (well transferable), the L-shell (depending somewhat on the bonding situation), the bonds attached to P (large differences between single and multiple bonds), and the lone pair on P (large variations), the contributions of distant bonds and lone pairs being small, but often not negligible. We find good agreement with experiments for those molecules for which experimental data are available (e.g. PH₃, P₂H₄, P₄, CH₃PH₂, OPF₃) and we can make predictions for others (e.g. P₂, P₂H₂, HSiP). The interpretation of the variation of is more complicated than in the case of hydrocarbons, since bond contributions are usually not transferable between different molecules, and it is hard to justify an increment system. An interesting example is the dependence of the ³¹P-shift in RC≡P on R.     

Projection formulation of the cavitation problem in elastohydrodynamic lubrication contact

This contribution presents an alternative numerical method on how to find the cavitation region in elastohydrodynamic (EHD) lubrication using an augmented Lagrangian approach. A theoretical framework for the use of a projection formulation instead of a Linear Complementarity Problem (LCP) is given and the application to multibody systems with EHD contacts is shown. With this new formulation the cavitation condition can be covered by an additional algebraic equation. The projection formulation is applied to the steady-state as well as to the dynamic, mass conservative treatment of the cavitation problem. A numerical verification is given for a rigid rotor with unbalance in an elastic bearing. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Mode-selected electron-phonon coupling in superconducting Pb nanofilms determined from He atom scattering

The electron-phonon coupling (EPC) strength for each phonon mode in superconducting Pb films is measured by inelastic helium atom scattering (IHAS). This surprising ability of IHAS relies on two facts: (a) In ultrathin metal films, the EPC range exceeds the film thickness, thus enabling IHAS to detect most film phonons, even 1 nm below the surface; (b) IHAS scattering amplitudes from single phonons are shown, by first-principle arguments, to be proportional to the respective EPC strengths. Thus IHAS is the first experiment providing mode-selected EPC strengths (mode-lambda spectroscopy).     

Mazis

Ohne Zusammenfassung     

A novel direct coupling of simultaneous thermal analysis (STA) and Fourier transform-infrared (FT-IR) spectroscopy

Evolved gas analysis (EGA) from thermal analyzers such as thermogravimetry (TG) or simultaneous thermal analysis (STA) which refers to simultaneous TG–DSC is well established since it greatly enhances the value of TG or TG–DSC results. The sensitive and selective FT-IR technique is in particular useful for the analysis of organic molecules but also for infrared active permanent gases evolved during most decomposition processes. The coupling interface between thermal analyzers and FT-IR spectrometers usually consists of heated adapters and a flexible, heated transfer line. In this work, a novel direct coupling of an STA instrument and an FT-IR spectrometer without a transfer line is presented. A very small FT-IR spectrometer is directly mounted on top of the STA furnace leading to a compact and fully integrated STA–FT-IR coupling system. The possibilities and the value of simultaneous STA–FT-IR measurements are demonstrated for organic, biomass, and ceramic samples in the temperature range between room temperature and about 1,500 °C. Various samples from the field of inorganics and organics—especially polymers—were furthermore measured showing the advantages of the direct STA–FT-IR coupling compared to state-of-the-art STA–FT-IR coupling using a heated transfer line: we found that the time delay caused by the volume of the transfer line itself is rather negligible whereas a significantly better correlation between gas detection and TG results was observed in case of some highly condensable decomposition gases. Aspects of quantification of evolved gases are furthermore discussed as well as the known nonlinearity of FT-IR detection at higher gas concentrations.     

Synthesis and characterization of branched polystyrene. Part II. Fractionation

Fractionations have been carried out by a column-elution method on mixtures of linear and branched polystyrene. These had been prepared by anionic polymerization followed by a coupling reaction to form star-shaped branched polymers. Therefore, the components of the mixture were each of narrow distribution, and their molecular weights differed from each other as multiples of the original single chain length. For single chains in the 25,000–30,000 molecular weight range, separations were accomplished in which the multiples (number of branches) were 1, 2, 4, and 6. By this means, virtually monodisperse samples of the branched polymers could be isolated.     

Quantum logics with the existence property

Aquantum logic (-orthocomplete orthomodular poset L with a convex, unital, and separating set of states) is said to have theexistence property if the expectation functionals onlin() associated with the bounded observables of L form a vector space. Classical quantum logics as well as the Hilbert space logics of traditional quantum mechanics have this property. We show that, if a quantum logic satisfies certain conditions in addition to having property E, then the number of its blocks (maximal classical subsystems) must either be one (classical logics) or uncountable (as in Hilbert space logics).Part of this work was done while the author was a visitor at the Department of Mathematics and Computer Science of the University of Denver, Denver, Colorado.