Full-relativistic calculation of electronic structure of Zr2AlC and Zr2AlN

We have employed a full-relativistic version of an all-electron full-potential linearized-augmented plane-wave method in the local density approximation to investigate the electronic structure of nanolaminate Zr₂AlX (X=C and N). The Zr 4d electrons are treated as valence electrons. We have investigated the lattice parameters, bulk moduli, band structures, total and partial densities of states and charge densities. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes.     

Establishment of Illuminance Scale at UME with an Accurately Calibrated Radiometer

Traceability in illuminance measurements at the National Metrology Institute of Turkey (TüBITAK-UME) was established in 2003 with a detector-based realization. The new measurement technique was developed for the determination of illuminance responsivity and upgrating of the illuminance scale. The unit of the illuminance responsivity, in A/lx, was measured with an expanded uncertainty of 0.2% (k = 2) by supplying using the developed scanning technique for the calculation of color correction factor. The surface of a radiometer was scanned using a double-monochromator facility upgraded with an x-y scanning system. The illuminance responsivity as a function of bandpass and temperature were also investigated in this study. To use a radiometer in the photometric applications of metrology, a light-sensitive device, a so-called trap detector, was characterized by measuring the absolute responsivity, the non-linearity, and spatial non-uniformity.     

Synthesis and electrochemical properties of a novel calix[4]arene derivative for facilitated transfer of alkali metal ions across water/1,2-dichloroethane micro-interface

The alkali metal ion transfers facilitated by a novel calix[4]arene derivative (OPEC) across the water/1,2-dichloroethane (1,2-DCE) micro-interface supported at the tip of a micropipette were presented. The well-defined voltammetric behaviours except Cs⁺ was obtained by cyclic voltammetry and differential pulse voltammetry. The bulk concentration of metal ions was much higher than that of OPEC in the performed measurements. The diffusion coefficient of OPEC in the 1,2-DCE phase was calculated as 5.18 ± 0.70 × 10^? 6 cm² s^? 1. On the basis of the changes of the half-wave transfer potentials, the logarithms of the association constants having 1:1 ionophore–ion complex stoichiometry for Li⁺, Na⁺, K⁺ and Rb⁺ in 1,2-DCE were determined as 4.80, 4.62, 4.98 and 5.32, respectively. The facilitated ion transfers were also evaluated by the Randles equivalent circuit used for ac-impedance data analysis.     

The Vibrational Behavior of Coupled Bladed Disks with Variable Rotational Speed

Low pressure steam turbine blades are subjected to high static and dynamic loads during operation. These loads strongly depend on the turbine's rotational speed, leading to entirely new load conditions. To avoid high dynamic stresses due to the forced vibrations, a coupling of the blades, such as shrouds or snubber coupling, is applied to reinforce the structure. In this work the influence of the rotational speed on the vibration behavior of shrouded blades is investigated. Two fundamental phenomena are considered: the stress stiffening and the spin softening effect. Both effects are caused by centrifugal forces and affect the structural mechanical properties, i.e. the stiffness matrix K , of the rotating system. Since the rotational speed Ω appears quadratically, it is possible to derive the stiffness matrix as a second order matrix polynomial in Ω² [3]. In the case of shrouded blades, contact forces between neighboring blades must be taken into account. The contact status and the pressure distribution in particular is strongly influenced by the rotational speed, respectively, centrifugal forces, caused by the untwisting and radial deformation of the blades. For the calculation, a three dimensional structural mechanical model including a spatial contact model is considered. The solution of the nonlinear equations of motion is based on the well known Multiharmonic Balance Method [2]. Here, the nonlinear forces are computed in the time domain and transferred in the frequency domain by the use of the Fast Fourier Transformation (FFT), also known as the Alternating Frequency Time method (AFT) [1]. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

New acetylated flavone C-glycosides from Iris lactea

Chemical investigation of the aerial parts of Iris lactea afforded three new flavone C-glycosides including 4?-O-acetyl-embinin (1), 2?,4?-O-diacetyl-embinin (2) and 6″,4?-O-diacetyl-embinin (3) along with the known analogue embinin (4). Their structures were elucidated by 1D and 2D NMR spectroscopic analysis as well as by HRESIMS data. The sugars were characterized following acid hydrolysis of the respective glycosides and TLC analysis compared to known standards. Duplicated signals can be observed in the NMR spectra, indicating the presence of rotamers caused by rotational hindrance around the glycosyl-flavone CC linkage. All isolated compounds were tested for their antimicrobial and cytotoxic activities but found to be inactive.     

Dynamical stability and high pressure phases of platinum carbide

Using the density-functional linear response method, we study the dynamical properties of ground state zinc-blende and high pressure NaCl phases of platinum carbide (PtC). The calculated phonon dispersion curve does not show any soft modes for all wave vectors, indicating the dynamic stability of the ground state zinc-blende phase. The high pressure rock-salt phase exhibits imaginary frequencies, practically along all directions of the Brillouin zone, which means that PtC cannot exist in the NaCl phase at least up to a high pressure of 100 GPa.     

Calorimetry in nonstandard conditions: The noncrystalline phases of linear polyethylene

A linear Union Carbide PE (UC) has been analyzed by nonstandard calorimetry with a common DSC calorimeter and a Setaram C80 calorimeter. Nonstandard calorimetry entails using a low rate of heating (0.5–1 K/min), a small mass (0.5–1.5 mg), and an open cell (O‐cell) instead of the standard C‐cell. Events in O‐cells overlap less and occur with a faster kinetics than in C‐cells. PE crystals are nascent, solution‐grown (S‐grown), press‐grown (P‐grown), and strained by extrusion. In Part A, the traces show that the phase‐changes in the melt, previously observed in a C80 calorimeter (slow T‐ramp) and characterized by ΔH_network, can be observed with a common DSC in nonstandard conditions. In Part B, the difference between the C‐ and O‐cells and the changes in the main peak enthalpy (ΔH_ortho) are of interest. The main result is that, in O‐cells, the value of ΔH_ortho around T_ortho, exceeds unambiguously in certain conditions ΔH_ortho found for perfect orthorhombic crystals. The main endotherm contains then another contribution, namely ΔH_network. Crystal reorganization during the slow T‐ramp is followed in the C‐ and O‐cells on S‐grown crystals. In O‐cells, lamellar thickening observed in the slow‐ramp is more extensive. The ease of phase‐change depends on the sample history. It is as follows: strained‐part extruded > nascent > S‐grown > P‐grown. Co‐operative chain motions are more hindered in the standard C‐cells than in the O‐cells. In Part C, lower values of m succeed in bringing phase‐changes in P‐grown (O‐cells) samples. The origin of the events is discussed: three processes are thought to contribute to the phase‐changes namely, melting of strained short‐range order, activation of vibrations in the CH₂ groups, and fast decay of chain orientation which occurs simultaneously with melting. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1932–1949, 2007     

Correction of self-absorption spectral line and ratios of transition probabilities for homogeneous and LTE plasma

Expressions for fundamental spectral line parameters are reported for Gaussian and Lorentzian shape profiles for homogeneous plasma at equilibrium in presence of the self-absorption. These expressions for Lorentzian profiles are applied to the determination of the ratios of transition probabilities and the ratios of optical thicknesses by a new method that we propose in this article. The self-absorption is computed by spectral line profiles with a Simplex algorithm program fitting. Applications to some experimental lines illustrate the appropriate corrections.     

Robust fuzzy fault detection and isolation approach applied to surge in centrifugal compressor modeling and control

This work presents the results of applying an advanced fault detection and isolation technique to centrifugal compressor; this advanced technique uses physics models of the centrifugal compressor with a fuzzy modeling and control solution method. The fuzzy fault detection and isolation has become an issue of primary importance in modern process engineering automation as it provides the prerequisites for the task of fault detection. In this work, we present an application of this approach in fault detection and isolation of surge in compression system. The ability to detect the surge is essential to improve reliability and security of the gas compressor plants. We describe and illustrate an alternative implementation to the compression systems supervision task using the basic principles of fuzzy fault detection and isolation associated with fuzzy modeling approach. In this supervision task, the residual generation is obtained from the real input-output data process and the residual evaluation is based on fuzzy logic method. The results of this application are very encouraging with relatively low levels of false alarms and obtaining a good limitation of surge in natural gas pipeline compressors.