Miracle-dz/UniFAR-FTUs huggingface dataset:
Use of Spin Echoes in a Pulsed Magnetic‐Field Gradient to Study Anisotropic, Restricted Diffusion and Flow

The Bloch—Torrey equations are modified to include the case of anisotropic, restricted diffusion and flow. The problem of solving these modified equations for the amplitude of a spin echo in a time‐dependent magnetic‐field gradient subject to restricting boundary conditions is discussed. This problem is solved for a number of selected cases. In particular, it is found that a magnetic‐field gradient applied in short, intense pulses is effective in defining the time during which nuclear displacements take place. A simplified equation, suitable for the pulsed‐gradient experiment, is presented and solved for two different examples of systems showing restricted diffusion. A procedure for analyzing the data from pulsed‐gradient measurements is suggested, and its merits are discussed. Suggestions are made of systems which may well be expected to show restricted, anisotropic diffusion or interesting flow properties.
Neutron time-of-flight diffraction used to study aged duplex stainless steel at small and large deformation until sample fracture

Owing to its selectivity, diffraction is a powerful tool for analysing the mechanical behaviour of polycrystalline materials at the mesoscale (phase and/or grain scale). In situ neutron diffraction during tensile tests and elastoplastic self-consistent modelling were used to study slip phenomena occurring on crystallographic planes at small and large deformation. The critical resolved shear stresses in both phases of duplex stainless steel were found for samples subjected to different thermal treatments. The evolution of grain loading was also determined by showing the large differences between stress concentration for grains in ferritic and austenitic phases. It was found that, for small loads applied to the sample, linear elastic deformation occurs in both phases. When the load increases, austenite starts to deform plastically, while ferrite remains in the elastic range. Finally, both phases undergo plastic deformation until sample fracture. By using an original calibration of diffraction data, the range of the study was extended to large sample deformation. As a result, mechanical effects that can be attributed to damage processes initiated in ferrite were observed.
Biodiesel Production from Terebinth (Pistacia Terebinthus) Oil and its Usage in Diesel Engine

This paper presents the results of investigations carried out on a three-cylinder, fourstroke, and direct-injection CI engine operated with terebinth (pistacia terebinthus) oil biodiesel. Terebinth oil was squized using the extraction method and therefore terebinth oil biodiesel was produced via the transesterification method. Terebinth oil biodiesel (B)—diesel fuel (D) blends were tested in a direct injection diesel engine at full load condition. Power values showed a trend of decreasing with all biodiesel fuels at high engine speeds. Specific fuel consumption (SFC) values increased depending on the amount of biodiesel in the test fuels. In general, exhaust emission profile of biodiesel fuels improved. CO and CO2 emissions decreased up to 34.54% and 10.69% respectively. However, NOx emissions increased up to 32.97%.
Differenzialdiagnose der Pathogene Pseudomonas syringae pv. aesculi und Phytophthora spp. an Aesculus spp. im Hamburger Stadtgebiet

Wahrend der dritten Reihenuntersuchung in der Freien und Hansestadt Hamburg an Aesculus spp. wurden 94 Rosskastanien der Arten A. hippocastanum und A. carnea auf die Phytopathogene Pseudomonas syringae pv. aesculi und Phytophthora spp. untersucht. Die Baume wurden gezielt nach dem makroskopisch erfassten Schadbild und der raumlichen Verteilung im Stadtgebiet ausgewahlt. Das Verfahren der Probenahme wurde minimalst invasiv durchgefuhrt. Die molekularbiologische Untersuchung erfolgte am Tag der Probenahme, sodass bereits am Folgetag die Laborbefunde vorlagen. Insgesamt wurden 82 Rosskastanien positiv auf P. syringae pv. aesculi und 7 Rosskastanien positiv auf Phytophthora spp. getestet. Die Sequenzierung ergab, dass es sich bei dem Phytophthora- Erreger um Phytophthora cactorum handelt. Zusatzlich wurde an 3 Rosskastanien eine Koinfektion festgestellt.
High temperature growth of AlN film by LP-HVPE

AlN films were grown on AlN/sapphire templates at 1400–1500 °C using low-pressure hydride vapor phase epitaxy (LP-HVPE). Compared to the step-flow growth of AlN film at 1200 °C with growth rate of 2.1 μm/h, AlN films with atomic steps were obtained at 1400–1500 °C even with high growth rate. For the AlN film grown at 1450 °C with growth rate of 14.3 μm/h, the RMS value is 0.75 nm and the FWHM values of (0002) and (10-12) X-ray rocking curve (XRC) are 351 and 781 arcsec, respectively. Since the FWHM value of (10-12) XRC for the AlN/sapphire template is 1492 arcsec, the crystal quality of HVPE-grown AlN is greatly improved compared with the AlN/sapphire template, which is also confirmed by TEM observation. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
In Situ Analysis of Dopant Incorporation, Activation, and Film Growth during Thin Film ZnO and ZnO:Al Atomic Layer Deposition

In situ characterization of low temperature atomic layer deposition (ALD) of ZnO and aluminum-doped ZnO (ZnO:Al) establishes a relationship between species adsorption, mass uptake, and surface electrical conductance during deposition and dopant atom incorporation. Conductance measured in situ during ZnO ALD oscillates with species surface adsorption, consistent with surface potential modulation and charge transfer during surface reaction. Dopant introduction using trimethylaluminum impedes both surface potential modulation and film growth, and a reaction scheme involving surface proton exchange complexes is presented to understand the observed results. Electronically active doping is achieved only after Al species transition four to five monolayers into the film bulk, consistent with a nonuniform dopant atom distribution in the direction of film growth. Results have important implications in understanding relations between dopant incorporation, activation, and film growth mechanisms in atomic layer deposi.
Arrangement and stability of atoms at the apex of a scanning tip

A field ion microscope was used to examine the stability of the atomic arrangement at tip apexes. Although a single W atom at the top layer of a [111]‐orientated tip apex protrudes from the underneath layer by only 0·91 Å, the present study suggests that the (111)‐orientated W tip is the most desirable tip for scanning tunnelling microscopes because a large activation energy for surface diffusion on the (111) plane immobilizes the apex atom while the tip scans over a specimen surface and the tip apex can be resharpened by simply heating the tip.
Efectos del daño de la mosca del olivo y del atroje sobre la microflora en pasta y la acidez del aceite virgen de oliva

The effects of olive fly damage, olive storage, harvest date, olive grove plot and their interactions on the microflora associated with olive paste and oil acidity were studied. Microflora and oil acidity were significantly affected by the four studied factors and by several interactions between them. Fly damage and olive storage interacted sinergically increasing oil acidity. The relationship between fly damage and oil acidity was lineal although sometimes it was not significant depending on microflora populations. The relationship between microflora populations and oil acidity fitted to a logarithmic model. Major microorganisms in olive paste were bacteria ( Xanthomonas ), yeasts (mostly Torulopsis and Candida ) and in a smaller measure moulds (mainly Fusarium and Penicillium ). Results overall suggest that a qualitative damage threshold based on the percentage of damaged fruits in order to infer oil acidity may be unfeasible in most instances.
Effectiveness of Project and Program Aid in Improving Quality of Life

The purpose of this study is to find out which aid modality between project and program aid is more effective for enhancing the quality of life in recipient countries with different levels of income. It connects the two major topics in aid effectiveness: (1) effectiveness of different aid modalities, and (2) aid effectiveness regarding the promotion of overall quality of life of the recipients. Panel data between 2004 and 2015 was used to compare the impact of two aid modalities on the improvement of overall welfare, and on economic growth, which is the traditional indicator. Results of the study indicate that it is recommended to give more program aid to lower middle income countries (LMICs) rather than least developed countries (LDCs), while LDCs are more adaptive to the project aids.
Surfactant-assisted hydrothermal synthesis of Bi2O3 nano/microstructures with tunable size

A novel and simple citrate-assisted solution approach has been developed for the shape-selective synthesis of Bi2O3 nanostructures with controllable bandgaps and morphologies at a relatively low temperature of 40 °C. Different distinctive morphologies, including nanorods, nanoplates, plate-built cylinders, nanoplates with holes, and nanorings, are created due to the selective adsorption of the citrate molecules on certain faces during crystal growth. The bandgaps and aspect ratios of the Bi2O3 nanostructures are easily tuned by modifying the product morphologies by adjusting the amount of trisodium citrate. More novel and complex Bi2O3 nanostructures with controllable morphologies and sizes can be manufactured with our method by optimizing the experimental parameters. The distinctive nanostructures presented here extend the family of Bi2O3 nanostructures, and they also provide new opportunities for exploring the potential applications of Bi2O3 in a number of fields including photocatalysis, gas sensors, and photoelectrochemistry.
COSMO : a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Starting from the screening in conductors, an algorithm for the accurate calculation of dielectric screening effects in solvents is presented, which leads to rather simple explicit expressions for the screening energy and its analytic gradient with respect to the solute coordinates. Thus geometry optimization of a solute within a realistic dielectric continuum model becomes practicable for the first time. The algorithm is suited for molecular mechanics as well as for any molecular orbital algorithm. The implementation into MOPAC and some example applications are reported.
Enhancement of the Diffusion of Active Ingredients in Barley Leaf Cuticular Wax by Monodisperse Alcohol Ethoxylates

Rates of uptake of active ingredients (ai) across the plant cuticle are enhanced by the action of alcohol ethoxylate (AE) adjuvants. The partitioning of monodisperse AE between aqueous solutions and isolated cuticular wax from barley (Hordeum vulgare L.) leaves was investigated. Quantitative structure−property relationships for wax/water partition coefficients (Kwax/w) and maximum AE concentrations in the wax ( ) were established. In the presence of AE, the diffusion coefficients of six ai in cuticular wax increased by factors of up to 125. AE effects were linearly related to their respective , suggesting a common intrinsic activity. AE had higher effects on the diffusion coefficients of large ai than on those of smaller ones. Conclusions are drawn concerning the mechanism of AE action on the physical structure of cuticular waxes. Keywords: Alcohol ethoxylate adjuvants; cuticular wax; diffusion coefficient; foliar uptake; Hordeum vulgare
Fate of 15N Derived from Composts and Urea In Soils under Different Long-term N Management In Pot Experiments

Understanding of dynamics of N derived from organic N sources in soil is required for the development of sustainable agricultural systems. The aim of this paper is to compare, using pot experiments, the fate of N from urea (UF) and organic N sources such as rice straw compost (RC) and cattle compost (CC) using 15N labeled materials in paddy soil planted with rice. Two soils with a history of long-term applications of chemical fertilizers (LTCN) and organic N sources, i.e. straw compost +soybean cake, (LTON), were also compared. Nitrous oxide emissions were monitored during the growing period. Yield and N uptake of rice were higher in LTON soil than LTCN soil with no significant interaction with N applications. Chemical fertilizer increased yield and N uptake with a recovery rate by rice of 36 to 45%. Nitrogen recovery from RC and CC by rice was less than 10%. When recovery of N in soil was included with that recovered in the plant, 70% and 61% of applied N in the UF treatment was recovered from the LTCN and LTON soils, respectively. In comparison, more than 95% of applied N was recovered in the plant and soil for the RC and CC treatments. There was a sharp increase in N2O emission during the aerated period in nonplanted pots regardless of whether supplemental N was added, and this was associated with the increase in NO3- in soil solution at 0.5 cm depth. There was a much lower N2O emission in planted pots than nonplanted pots with no significant difference among the LTCN and LTON soils or the N treatments. The results indicated that the application of organic N source provided lower N supply to the plant than urea, but also could reduce N loss because of higher retention in the soil. Long-term continuous application of organic N sources enlarged the labile N pool without increasing N2O emission. Nitrous oxide emission was important during the mid-season aerated period from pot experiments and was partly related to the concentration of NO3- and the rate of nitrification.
Ultrafine fibers of polystyrene dissolved in tetrahydrofuran prepared using the electrospinning method

Mixed molecular weights of polystyrene dissolved in tetrahydrofuran were electrospun to obtain fibers of diameters in the range 71 nm – 3000 nm. The molecular weight of the polymer is seen to be very important in obtaining good fibers. A single molecular weight polymer when electrospun showed the formation of beads along the fibers but when two different molecular weights were used such bead formation was suppressed, however mushroom like structures never anticipated before were seen. Such features that possess a very high surface to volume ratio could be exploited for many uses for example as a catalyst or in the preparation of nanopore filters.
Optical Properties of N-Isopropylacrylamide Microgel Spheres in Water

Optical properties of N-isopropylacrylamide (NIPA) microgel spheres in water have been investigated using light-scattering and turbidity methods. Two batches of NIPA microgel spheres with hydrodynamic radii of 132 and 216 nm were synthesized in water at 25 °C. Concentrations ranging from ∼0.01 to ∼14 wt % were obtained by dilution−condensation of the dispersions. The hydrodynamic radius distribution, the radius of gyration, and the molar mass of the microgel spheres were determined by combining dynamic and static light scattering. As the polymer concentration increases, the microgel spheres in dispersions exist in the liquid, crystalline, and glass states, while the optical appearance of the dispersions changes progressively from transparent to cloudy to colored (pink, green, blue, and purple gradually) and to transparent. The formation of large colloidal crystals in a very narrow concentration range (ca. 3∼5 wt %) at room temperature (∼18−22 °C) yields iridescent patterns from typical Bragg diffraction.
Fullerene ions and their relation to PAH and soot in low-pressure hydrocarbon flames

Positive and negative fullerene ions from C32 to over C600 have been analysed in low-pressure premixed flames of acetylene and benzene with oxygen. Mass spectra were taken through a molecular beam sampling system by a linear time-of-flight mass spectrometer (TOF-MS) and a reflectron TOF-MS. Fullerenes are mainly formed during the beginning of soot formation, and less in the oxidation zone or under nonsooting conditions in benzene flames. When soot is present, the whole spectrum of fullerene ions is formed, whereas in the oxidation zone mainly smaller fullerenes, preferentially C60, C70 and C50 occur. — Polycyclic aromatic hydrocarbons (PAH) are the precursors of fullerenes, both in the presence of soot and under homogeneous conditions. However, hydrogenated fractions of carbon cages as intermediates could not be detected. This is attributed to fast unimolecular reactions and to formation reactions of fullerenes in young soot particles. On account of correlations with concentration profiles of large PAH ions, on the one hand, and with the soot particle mass distributions, on the other, possible mechanisms of fullerene formation are discussed. Fullerenes do not grow further, as do the soot particles, but they are oxidized at high temperature. Thermal decomposition was not observed. From comparison of fullerene formation with the two fuels and under different burning conditions it is concluded that negative fullerene ions are formed by electron attachment to neutral fullerenes and that for positive fullerene ions there is hardly any ionisation equilibrium.
Aviation fuel production from lipids by a single-step route using hierarchical mesoporous zeolites†

Hierarchical mesoporous molecular sieves with tunable zeolitic crystallinity, acidity and porosity were tailored to develop a single-step process for hydroconversion of triglycerides and free fatty acids obtained from algae and Jatropha seeds. Ni-W catalyst supported on acidic zeolitic ZSM-5 support with hierarchical structure and intra-crystalline mesoporosity with composition similar to that for typical hydrocracking catalyst could yield 40–45% C9–C15 hydrocarbons and high isomerization selectivity (isomer/n-alkane, i/n ~ 2–6) from Jatropha oil. While Ni-Mo catalysts on the same support furnished 40–50% kerosene range hydrocarbons with i/n ~ 3–13. For algal oil feed hydroconversion using sulfided Ni-Mo catalyst supported on high surface area semi-crystalline ZSM-5, unexpectedly high yield of jet-fuel range hydrocarbons (77%) with moderately high isomerization selectivity (i/n = 2.5) could be obtained.
Impact on Surface Water Quality due to the Disposal of Tailings from Iron Ore Mines in India

Tailings from iron ore mines represent one of the biggest waste handling problems. By the end of this century in Indi a 27 Mt/y iron ore tailings will be generated. Provision of tailing pond fo r the containment is a must. But it does not give the full guarantee or environmental compl iance. Impacts on surface water qu ality due to the discharge of tai lings have been desc ribed. Serious concern in thi s regard is the direct discharge of tailings into ri vers . Another cause of polluti on is the discharge of excess supernatan t fro m tail ing pond into a water course. A case study of an iron ore mine has been desc ribed with respect to it s importance of geological form ation, location, natural drainage system, study sites, etc. Methodology adopted ror collection of samples and analysis have been discussed . The decanted e ffluent from the tailing pond was being di scharged into the nearby ri ver th rough a nallah. Characteristi cs of the effluent, water quality of upstream, confluence point and downstream river have been d iscussed. In general the pollutant contribu tion to the surface water body in terms of TSS , Fe and Mn were more pertinent. Other trace metals were fo und to contaminate the surface water though these were found to be within the permi ssibl e li mit of surface water qu ality standards. Waste water management to prevent water pollut ion can be achieved by recycling of decanted e ffluent fro m tailing pond fo r process use, with certai n trea tment fo r removal o fTSS , Fe and other contaminant s. Even fo r di scharging these efflu ents to natural water body it is des irabl e to remove these contaminant s.
MODELING AND SIMULATION OF PIEZOELECTRIC MEMS ENERGY HARVESTING DEVICE

ABSTRACT Piezoelectric MEMS power generator is used to harvest energy from the ambient vibrations in the environment. This paper proposes a structure design of MEMS power generator for low-frequency applications, which is based on bulk MEMS technology and (110) Si wafer. The structure consists of a silicon cantilever with a piezoelectric layer attached. The cantilever is modeled as an Euler-Bernoulli beam with a lumped mass beneath the tip of the cantilever, and then analytical modeling and simulations are carried out using MATLAB. Simulation results show that a tradeoff between the geometric parameters and the proof mass should be made for a high output power of the device. To increase the output power, the length of piezoelectric layer can be optimized, which is not necessarily equal to that of cantilever. Simulation results point out ways to perform the optimization of MEMS power generator. The analytical modeling and simulations are also helpful for the design of macro-scale power generator.
Preparation of two-dimensionally patterned layers of functionalised calcium phosphate nanoparticles by laser direct writing

Calcium phosphate nanoparticles were functionalised using suitable polymeric additives and electrophoretically deposited on titanium and silicon substrates. Subsequently the coated substrates were patterned with a focused beam of an argon ion laser at a wavelength of 514 nm. Depending on the incident laser power and the writing speed, different processes were observed. At high laser power and writing speed, the particle layer was locally removed down to the substrate (“laser cleaning”). In contrast, at low laser power and writing speed, the particles melted and formed larger structures. The width of the laser written lines is of the order of the laser spot size (about 3 µm). This approach opens a way to two-dimensionally structured layers of nanoparticles with a predefined thickness.
FT-IR and FT-Raman investigations of the chemosensing material para-hexafluoroisopropanol aniline

As an important chemosensing material involving hexafluoroisopropanol (HFIP) for detecting nerve agents, para-HFIP aniline (p-HFIPA) has been firstly synthesized through a new reaction approach and then characterized by nuclear magnetic resonance and mass spectrometry experiments. Fourier transform infrared absorption spectroscopy (FT-IR) and FT-Raman spectra of p-HFIPA have been obtained in the regions of 4000–500 and 4000–200 cm−1, respectively. Detailed identifications of its fundamental vibrational bands have been given for the first time. Moreover, p-HFIPA has been optimized and vibrational wavenumber analysis can be subsequently performed via density functional theory (DFT) approach in order to assist these identifications in the experimental FT-IR and FT-Raman spectra. The present experimental FT-IR and FT-Raman spectra of p-HFIPA are in good agreement with theoretical FT-IR and FT-Raman spectra. Copyright © 2009 John Wiley & Sons, Ltd.
Observations and Analysis of Relationship between Water Vapor and Aerosols by Using Raman Lidar

A UV vibrational Raman lidar has been built and used to make quantitative measurements of water vapor and aerosol optical properties over Xi'an, China. Vertical profiles of the water vapor mixing ratio and aerosol extinction coefficient are retrieved. The water vapor mixing ratio is calibrated with radiosonde data. The diurnal variations of the water vapor mixing ratio, aerosol extinction coefficient, and aerosol optical depth are obtained. The results obtained in the form of a time-height indicator (THI) display clearly showed the relationship between water vapor and aerosols, in which the gradual enhancement of water vapor density results in aerosol accumulation in the early morning, in particular in the lower troposphere. The seasonal variations of the water vapor mixing ratio and aerosol optical depth over Xi'an were observed and analyzed using the average monthly distribution obtained by lidar for the first time, which will provide useful scientific data and real-time monitoring methods for studying local climate change.