Miracle-dz/UniFAR-FTUs huggingface dataset:
S71 Residual Stresses in a Machined and Shrink Fitted Assemblies

A shrink-fit is a semi-permanent assembly system, widely used in industry, which is designed to resist the relative movement or transmit torque between two components. This done by creating high radial pressures at the interface of the constituent parts. Examples include fitting of gears to shafts to transmit torque and shrink fitted hard wearing sleeves to shafts for steel rolling mills. This paper presents measured and predicted residual stresses from a variety of shrink fitted assemblies, including aluminium alloys, stainless steel and cast irons. In a number of cases the sleeves shrink fitted to the shaft were subjected to prior machining or prior quenching to introduce initial residual stresses in the sleeve. Residual stresses were measured using a combination of deep-hole drilling (DHD) and incremental centre hole drilling (ICHD) techniques. The ICHD method provided near surface residual stress measurements to depths up to about 1mm. The DHD method measured through thickness residual stresses along radial lines through the outer sleeve and into the shaft up to depths of 400mm. Results are shown for a variety of assemblies and reveal residual stress that are significantly different from both simple analysis and finite element studies. For example, prior machining introduced near surface compressive residual stresses, that is then expected to be counteracted by the near surface tensile shrink fit residual stresses. However, measurements reveal that this is not the case.
Potential gain in photocurrent generation for Cu(In,Ga)Se2 solar cells by using In2O3 as a transparent conductive oxide layer

This study highlights the potential of atomic layer deposited In2O3 as a highly transparent and conductive oxide (TCO) layer in Cu(In,Ga)Se2 (CIGSe) solar cells. It is shown that the efficiency of solar cells which use Zn‐Sn‐O (ZTO) as an alternative buffer layer can be increased by employing In2O3 as a TCO because of a reduction of the parasitic absorption in the window layer structure, resulting in 1.7 mA/cm2 gain in short circuit current density (Jsc). In contrast, a degradation of device properties is observed if the In2O3 TCO is combined with the conventional CdS buffer layer. The estimated improvement for large‐scale modules is discussed. Copyright © 2015 John Wiley & Sons, Ltd.
Exploring the topography of free energy surfaces and kinetics of cytochrome c oxidases interacting with small ligands

Free energy landscape explorations have been performed for Cytochrome c Oxidases, aa3 from Paracoccus denitrificans and ba3 from Thermus thermophilus, interacting with small gas molecules (CO, NO, O2), as well as Xe. The calculations were carried out with thermodynamic perturbation theory, the validity of which has been examined by previous molecular dynamics calculations. This approach allows us to bypass the immense computational time required in such problems. The free energy surfaces are constructed as functions of the three Cartesian coordinates of the center of mass of the ligand and averaging over the orientation angles of the molecule. Hydrophilic/hydrophobic cavities and channels around the distal heme-a3 pocket were detected and the corresponding free energy minima and barriers were estimated. These free energy extrema permit us to extract kinetic parameters and to discuss the biochemical functions of the enzymes in conjunction with experimental results. The conserved cavities found in the two enzymes as well as in previous results of myoglobin demonstrate that topographical characteristics in the distal region of the active sites of the heme oxidase proteins are structurally stable.
Neem chemicals disturb the behavioral response of Liriomyza huidobrensis to conspecific-induced potato volatiles

Abstract Plants respond to insect attack by releasing complex blends of phytogenic volatile organic compounds. Selection of a host plant by the leafminer Liriomyza huidobrensis is influenced by such volatile chemicals (allelochemicals) released by the host plant. In the case of potato plants, the allelochemicals identified are mainly volatile monoterpenes and sesquiterpenes. A potato plant that is already infested by other individuals of the same species of insects shows a quantitative difference in emission of such allelochemicals, which in turn plays an important role in the host preference behavior exhibited by the insect. Olfactometer tests (using whole, potted potato plants as well as excised leaves) showed that L. huidobrensis adults were more attracted to already infested plants for feeding and egg-laying than they were to uninfested plants, demonstrating that volatile chemicals from infested plants function as kairomones in this insect-plant relationship. However, when the potato plants were grown in soil treated with aqueous neem extract, this relationship was disturbed and the insects did not exhibit any consistent feeding or egg-laying response to neem-treated infested or uninfested host plants. This indicates that neem compounds disturb secondary metabolite production in the potato plant, which in turn has an influence on insects that use volatile plant allelochemicals as cues for host identification and location. Results of this study can help in a better understanding of neem as an environment-friendly botanical pesticide for use in sustainable agriculture.
High accuracy measurements of Mo isotopes by MC-ICPMS with in situ Mo/Zr separation using N2O in a collision reaction cell

In the research field concerning the nuclear transmutation of long-lived radionuclides, numerous isotopically enriched elements have been irradiated in the Phenix French reactor in order to determine basic neutronic data. The precise and accurate measurement of isotopic composition of these elements after irradiation is of prime interest. Among these elements, the 95Mo target presents an interesting analytical challenge as the irradiation generates, among others, the interfering isotopes 92Mo and 92Zr. A method using multiple collector inductively coupled plasma mass spectrometry (MC-ICPMS) has been developed for the precise measurement of Mo isotope composition in natural Mo and 95Mo enriched samples solutions in the presence of Zr isobaric interferences. The Mo/Zr separation was performed in situ by injecting N2O as a reaction gas in the collision–reaction cell of the instrument. The reason why a selective chemical reaction of Zr+ with N2O forms mainly ZrO2+ product whereas Mo is not reactive, is explained. This technique leads to an efficient separation of Mo and Zr, reflected by the similar accuracy and uncertainty obtained for natural and isotopically enriched Mo isotope composition with and without Zr addition. This study demonstrates the capability of the collision–reaction cell of the MC-ICPMS to separate efficiently Mo and Zr, instead of using chemical separation techniques, and to produce precise and reproducible Mo isotopic data.
Sinterability and Piezoelectric Properties of PMNZT Ceramics with Copper Oxide

The sinterability and piezoelectric properties of the Pb(Mg0.15Nb0.3Zr0.2Ti0.35)O3 ceramics with CuO sintering aid were investigated. The samples were synthesized with the conventional sintering method. The x-ray diffraction patterns indicated that all the samples formed a single-phase perovskite structure. The CuO additions improved the sinterability of the Pb(Mg0.15Nb0.3Zr0.2Ti0.35)O3 ceramics and increased the density and grain size of the samples. Excellent piezoelectric and electromechanical responses of d33 = 657 pC/N and kP = 0.72 were obtained from the high-density samples with 0.2 wt% CuO that were sintered at 1000 °C for 4 h.
Non-intrusive temperature and oxygen concentration measurements in a catalytic combustor using : Rotational coherent anti-stokes raman spectroscopy

Rotational CARS (Coherent anti-Stokes Raman Spectroscopy) was used to measure temperature and relative oxygen concentrations in the exhaust gas of a catalytic combustor. This laser technique has the general advantages of such techniques, i.e. possibility of performing in-situ measurements with high spatial and temporal resolution, and non-intrusiveness. Profiles of temperature and oxygen concentrations are presented for a full-load condition, and the measured temperatures are compared with calculated values. Of great importance for the results is the accuracy of the technique, and a sensitivity analysis is performed to test the temperature and oxygen concentration dependence on uncertainties in experimental parameters. It was shown that the accuracy of temperature and oxygen concentration could be improved by fitting the nonresonant susceptibility in the evaluation procedure. The measurements were performed as a project in the European gas turbine program AGATA with the aim to develop a catalytic combustor with ceramic structural components and producing low emissions of pollutants. (Less)
Structural relaxation of Zr60Al15Ni25 amorphous ribbon: experimental evidence of the electrical resistivity

In order to study the structural relaxation of the Zr60Al15Ni25 amorphous ribbon, the electrical resistivity was experimentally investigated. The changes in the resistivity before glass transition temperature were observed. Two temperature points (423 K and 573 K) were chosen for cyclic heating experiments. The results showed that both irreversibility and reversibility of structural changes existed in amorphous alloys, which were related to the selected temperature and cycle times. Based on the scattering mechanism of electron conduction in metal, the structural defects model was used to explain the changes of electrical resistivity. The sample was in a highly disorder state after experienced thermal cycling of high temperature (573 K). The number and kind of atoms may be changed to increase the crystallisation range.
Slip-Flow and Heat Transfer in a Porous Microchannel Saturated with Power-Law Fluid

This study aims to numerically examine the fluid flow and heat transfer in a porous microchannel saturated with power-law fluid. The governing momentum and energy equations are solved by using the finite difference technique. The present study focuses on the slip flow regime, and the flow in porous media is modeled using the modified Darcy-Brinkman-Forchheimer model for power-law fluids. Parametric studies are conducted to examine the effects of Knudsen number, Darcy number, power law index, and inertia parameter. Results are given in terms of skin friction and Nusselt number. It is found that when the Knudsen number and the power law index decrease, the skin friction on the walls decreases. This effect is reduced slowly while the Darcy number decreases until it reaches the Darcy regime. Consequently, with a very low permeability the effect of power law index vanishes. The numerical results indicated also that when the power law index decreases the fully-developed Nusselt number increases considerably especially, in the limit of high permeability, that is, nonDarcy regime. As far as Darcy regime is concerned the effects of the Knudsen number and the power law index of the fully-developed Nusselt number is very little.
Probe Indentation: A Mesoscale Approach to Characterise Powder Systems: Experimental Investigation of Monomodel and Bimodal Diameter Distributions of Glass Spheres

An experimental study investigating a novel power characterisation method is investigated. The scope of this experimental work is to assess the feasibility, suitability and sensitivity of small scale probe indentation as a mechanism by which Discrete element method (DEM) may be calibrated. This meso–scale approach is chosen for investigation since it bridges the gap between the single‐particle methodologies of atomic force microscopy (AFM) and bulk measurements such as shear cell testing. Five different mono‐modal populations of glass bead and bi‐modal blends of these populations have been examined. The force‐displacement profile from a spherical probe was measured during indentation into a powder bed. Discernable differences in the resultant force‐profile are quantifiable and a mechanism has been proposed for the physical basis of these different characteristics.
Structures and Phase Transition of a MoS2 Monolayer

As an inorganic cousin of graphene, MoS2 monolayer has attracted considerable attention. However, a full understanding of its structure and stability is still lacking due to its dependence on experimental synthesis conditions. Using first-principle calculations combined with Boltzmann transport equation, we have extensively studied the geometry, energetics, electronic structure, optical absorption, and carrier mobility of various phases of MoS2. We have not only identified the stable phases of a MoS2 monolayer, but also clarified the specific conditions under which different phases are formed. The possible pathways for transitions among different phases are also discussed.
Spectral dynamics of distributed feedback quantum cascade lasers

We investigated the shift in emission wavelength of GaAs-based distributed feedback quantum cascade lasers during pulsed operation. This shift is due to current-induced self-heating. Together with a fast detector this shift in the emission spectra can be used to investigate absorption lines in ammonium isotopes. The linewidth of these single mode devices was determined to be below 0.1 cm−1. These measurements reveal the potential of these devices for chemical sensing.
Drugs and Polymers for Delivery Systems in OA Joints: Clinical Needs and Opportunities

Osteoarthritis (OA) is a big burden of disease worldwide and one of the most common causes of disability in the adult population. Currently applied therapies consist of physical therapy, oral medication, intra-articular injections, and surgical interventions, with the main goal being to reduce pain and improve function and quality of life. Intra-articular (IA) administration of drugs has potential benefits in OA treatment because it minimizes systemic bioavailability and side effects associated with oral administration of drugs without compromising the therapeutic effect in the joint. However, IA drug residence time is short and there is a clinical need for a vehicle that is able to provide a sustained release long enough for IA therapy to fulfill its promise. This review summarizes the use of different polymeric systems and the incorporated drugs for IA drug delivery in the osteoarthritic joint with a primary focus on clinical needs and opportunities.
The key role of atomic spectrometry in radiation protection

The Fukushima Daiichi Nuclear Power Plant accident has renewed considerable public concern about the dangers posed by radioactive contamination in the environment and the related internal exposure from the contaminating radionuclides. Sensitive and accurate analysis of radiation sources, and the amount and range of radioactive contamination is essential for effective radiation protection. This review describes atomic spectrometric techniques employed in radiation protection, such as accelerator mass spectrometry, inductively coupled plasma mass spectrometry, proton-induced X-ray emission and synchrotron radiation X-ray fluorescence spectrometry. Applications of atomic spectrometric techniques in radio-ecological studies in several significant nuclear contamination events in Japan, studies using a suitable stable element as an analogue of long-lived radionuclides related to high-level radioactive waste disposal, and microbeam elemental analysis for estimation of internal radionuclides radiation, are reviewed to highlight the important role of atomic spectrometric techniques in radiation protection. Finally, future research perspectives of atomic spectrometric techniques for radiation protection with an emphasis on the Fukushima nuclear accident are briefly outlined.
Dinuclear copper(I) benzoato quinoline complexes as intermediates in the copper‐quinoline decarboxylation reaction

The reaction of both the novel mixed trinuclear organo-organic copper(I) species [Cu3(C6H2Me3-2,4,6)(μ-O2CC6H5)2] (1) and [Cu(μ-O2CC6H5)]4 (2a) with quinoline in toluene or diethyl ether yields the dimeric 1:2 copper/quinoline complex [Cu(μ-O2CC6H5)(NC9H7)2]2 (3a). The reactions of methyl-substituted copper(I) benzoates, [Cu(μ-O2CC6H4Me-x)]4 (x = 2, 2b; x = 3, 2c; x = 4, 2d), with quinoline in toluene or diethyl ether, however, afford the 1:1 copper/quinoline complexes [Cu(μ-O2CC6H4Me-x)(NC9H7)]2 (x = 2, 4b; x = 3, 4c; x = 4, 4d). The structure of complex 4b, determined by a single-crystal X-ray diffraction study, shows a dicopper(I) unit doubly bridged by two benzoato units [Cul…Cul* = 2.667(1) A]. At each copper site, the CuO bonds to the bridging benzoato groups differ considerably [Cul-Ol = 1.923(5) A; Cul-O2* = 2.134(5) A]. Coordination of a quinoline at each copper site [Cul-Nl = 1.952(5) R] produces a distorted trigonal arrangement. Crystallization of the 1:2 copper-quinoline complex 3a led to formation of crystals of the dimeric 1:1 copper/quinoline complex [Cu(μ-O2CC6H5)(NC9H7)]2, 4a. The structure of 4a is similar to that of 4b [Cul…Cul* = 2.638(2) A Cul-Ol = 1.945(6) A Cul-O2* = 2.107(6) A Cul-Nl = 1.939(7) A]. Since complexes 3 and 4 can be expected to be similar to the intermediates formed in the copper-quinoline decarboxylation reaction, the reactivity of 3 and 4 at elevated temperatures in non-coordinating solvents has been studied. It was found that the decarboxylation reaction requires more than one equivalent of quinoline per copper atom. An improved mechanism is presented for the copper-quinoline decarboxylation reaction involving dinuclear copper(I) complexes as intermediates.
Synthesis of Size-Selected, Surface-Passivated InP Nanocrystals

Quantum-confined InP nanocrystals from 20 to 50 A in diameter have been synthesized via the reaction of InCl3 and P(Si(CH3)3)3 in trioctylphosphine oxide (TOPO) at elevated temperatures. The nanocrystals are highly crystalline, monodisperse, and soluble in various organic solvents. Improved size distributions have been obtained by size-selectively reprecipitating the nanocrystals. The UV/vis absorption spectra of the particles show the characteristic blue shift of the band gap of up to 1 eV due to quantum confinement, a moderately well-resolved first excitonic excited state, and, in some cases, the resolution of a higher excited state. Structurally, the nanocrystals are characterized with powder X-ray diffraction and transmission electron microscopy. Raman spectroscopy reveals TO and LO modes near the characteristic bulk InP positions as well a surface mode resulting from finite size. The Raman line widths, line positions, and relative intensities are all size-dependent . X-ray photoelectron spectroscopy .
Atomic Layer Deposition of Highly Transparent Platinum Counter Electrodes for Metal/Polymer Flexible Dye‐Sensitized Solar Cells

Atomic layer deposition (ALD) is used to deposit Pt nanoparticles at low temperature (25–150 °C) to fabricate highly transparent counter electrodes (CEs) for flexible dye‐sensitized solar cells (DSCs). The Pt nanoparticles (NPs) are deposited for different number of ALD cycles on indium tin oxide (ITO)/polyethylene naphthalate (PEN) substrates. Rutherford backscattering spectroscopy (RBS) and transmission electron microscopy (TEM) are used to assess the Pt NP loading, density, and size. There is a trade‐off between transparency and catalytic activity of the CE, and the best cell performances of back‐side‐illuminated DSCs (≈3.7% efficiency) are achieved for Pt ALD at temperatures in the range of 100–150 °C, even though deposition at 25 °C is also viable. The best cell produced with ALD platinized CE (100 cycles at 100 °C) outperforms the reference cells fabricated with electrodeposited and sputtered Pt CEs, with relative improvements in efficiency of 19% and 29%, respectively. In addition, these parameters are used to fabricate a large area CE for a sub‐module (active area of 17.6 cm2), resulting in an efficiency of 3.1%, which demonstrates the scalability of the process.
Influence of resin structure on the addition of ethanol to isobutene in the vapour phase

The addition of ethanol to isobutene in the vapour phase has been studied on four commercial macroporous resins. The acid group content of the resins used was about 5 meq g−1, and their degrees of crosslinking were 12, 16, 18 and 20%. Differential conversions were measured for ethanol-isobutene-nitrogen feeds at 53–78.5°C and atmospheric pressure, far from limitation by chemical equilibrium. The rate data showed that isobutene has an enhancing effect on the reaction, whereas ethanol has a strong inhibitory effect in the range studied. The four catalysts showed similar behaviour. At the lower temperatures explored all the resins have similar catalytic activity, but at the highest temperature the resin with 18% divinylbenzene showed the highest activity. This maximum activity can be explained by a greater accessibility to the acid groups, which is in agreement with the literature.
Low Cross-Polarization SIW Slots Array Antenna With a Compact Feeding Network

A low cross-polarization-slotted substrate-integrated waveguide (SIW) cavity planar array antenna, which consists of four symmetrically arranged linear arrays, is presented in this letter. The linear array is fed through a coaxial probe located at the center of the SIW cavity, which ensures that two quasi-TE150 modes with approximate frequencies can be excited simultaneously. Therefore, the impedance bandwidth can be significantly improved by merging the two resonant frequencies. When the adjacent linear arrays are fed by reversed phase signals with uniform amplitude, extremely low cross polarization can be achieved in both E- and H- planes. The alternative reversed phase signals with uniform amplitude are simply generated by a compact SIW TE410 mode cavity. Measured results show that the proposed 4 × 4 planar array antenna achieves an impedance bandwidth ranging from 9.9 to 10.34 GHz. Within the operating band, the gain varies from 12.5 to 14.9 dBi. In E and H planes, the cross-polarization level is lower than −52.1 dB within the half-power beamwidth, and the sidelobe levels are below −13.4 and −18.4 dB, respectively. The aperture efficiency is up to 51.5%.
Limitations of the Zero-Length Column Technique to Measure Diffusional Time Constants in Microporous Adsorbents

The zero-length column (ZLC) technique has been developed to measure the intracrystalline diffusivity of strongly adsorbed species in large zeolite crystals above 50 μm in the Henry's law range of sorption equilibrium. The ZLC is a macroscopic technique, and there is a need of large crystallites or pellets to measure the intracrystalline diffusivity Dc of fast diffusion species or the macropore diffusivity DP of weakly adsorbed species, respectively. Another limitation is that ZLC desorption curves produce similar concentration profiles (linear isotherms) in bidisperse adsorbents (pellets) under macropore or micropore diffusion control. Moreover, the forms of the response curves are very similar in both diffusion- and nonlinear equilibrium-controlled processes, leading to some misinterpretations of ZLC experiments. In this work, two criteria are developed showing that, in order to macroscopically measure the micropore diffusion time constant or the macropore diffusion time constant , the time of the ZLC experiments t should be higher than 7.0 × 10−2 or 7.0 × 10−2 , respectively. The interpretation of the ZLC response curve data is also checked in two completely different regimes, showing that a single ZLC response curve is not enough to conclude if a system is under a kinetic or an equilibrium regime.