Terahertz spectroscopy of enantiopure and racemic polycrystalline valine

Experimental and computational THz (or far-infrared) spectra of polycrystalline valine samples are reported. The experimental spectra have been measured using THz time-domain spectroscopy. Spectra of the pure enantiomers, both D and L, as well as the dl racemate have been taken at room temperature and low temperature (78 K). The spectra of the pure D and L enantiomers are essentially identical, and they are markedly different from the DL racemate. In addition, a temperature-dependent study of L-valine was undertaken in which the absorption maxima were found to red shift as a function of increasing temperature. The vibrational absorption spectra (frequencies and intensities) were calculated using the harmonic approximation with the Perdew-Burke-Ernzerhof (PBE) functional, localized atomic orbital basis sets, and periodic boundary conditions. The calculated and experimental spectra are in good qualitative agreement. A general method of quantifying the degree to which a calculated mode is intermolecular versus intramolecular is demonstrated, with the intermolecular motions further separated into translational versus rotational/librational motion. This allows straightforward comparison of spectra calculated using different basis sets or other constraints.     

An analytical method for the determination of stress and strain concentrations in textile-reinforced GF/PP composites with elliptical cutout and a finite outer boundary and its numerical verification

Stress concentrations in the vicinity of cutouts can often be regarded to be the limiting factor for a whole structure. As a further development of prior research at the Institute of Lightweight Engineering and Polymer Technology, an analytical method for the determination of the whole stress-strain fields in the vicinity of holes in multilayered textile-reinforced composites has been developed, which takes into consideration the influences of a finite outer boundary of the specimen. The analytical method is based on the classical laminate theory and the use of complex-valued potential functions. To account for the shape of the specimen, the method of conformal mappings is applied for the inner boundary, while a combination of boundary collocation and least squares method is used for the outer boundary. The method allows a layer-by-layer analysis of stress concentrations. For the verification of the developed calculation model, extensive experimental and numerical finite-element (FE) studies have been carried out on multilayered GF/PP plates with different laminate layups, notches, and specimen dimensions. The comparison of the experimentally or numerically determined results with the analytically calculated ones shows a very good correlation, of which the numerical studies are presented here for the first time. In a second step, the applicable boundary conditions on the outer boundary have been extended in such a way that varying stress and moment resultants can be applied, so that the calculation method can be used as an analytical sub-model in combination with FE techniques.     

Exclusive photoproduction of hard dijets and magnetic susceptibility of the QCD vacuum

We argue that coherent production of hard dijets by linearly polarized real photons can provide direct evidence for chirality violation in hard processes, the first measurement of the magnetic susceptibility of the quark condensate and the photon distribution amplitude. It can also serve as a sensitive probe of the generalized gluon parton distribution. Numerical calculations are presented for HERA kinematics.     

Ground state properties of an asymmetric Hubbard model for unbalanced ultracold fermionic quantum gases

In order to describe unbalanced ultracold fermionic quantum gases on optical lattices in a harmonic trap, we investigate an attractive (U < 0) asymmetric (t_↑≠t_↓) Hubbard model with a Zeeman-like magnetic field. In view of the model's spatial inhomogeneity, we focus in this paper on the solution at Hartree-Fock level. The Hartree-Fock Hamiltonian is diagonalized with particular emphasis on superfluid phases. For the special case of spin-independent hopping we analytically determine the number of solutions of the resulting self-consistency equations and the nature of the possible ground states at weak coupling. We present the phase diagram of the homogeneous system and numerical results for unbalanced Fermi-mixtures obtained within the local density approximation. In particular, we find a fascinating shell structure, involving normal and superfluid phases. For the general case of spin-dependent hopping we calculate the density of states and the possible superfluid phases in the ground state. In particular, we find a new magnetized superfluid phase.