Miracle-dz/UniFAR-FTUs huggingface dataset:
Performance of a Supersonic Model Combustor using Vaporized Kerosene Injection

Characteristics of supersonic combustion by injecting kerosene vapor into a Mach 2.5 crossflow at various preheat temperatures and pressures were investigated experimentally. A two-stage heating system has been designed and tested, which can prepare heated kerosene of 0.8 kg up to 820 K at pressure of 5.5 Mpa with minimum/negligible fuel coking. In order to simulate the thermophysical properties of kerosene over a wide range of thermodynamic conditions, a three-component surrogate that matches the compound class of the parent fuel was employed. The flow rate of kerosene vapor was calibrated using a sonic nozzle. Computed flow rates using the surrogate fuel are in agreement with the experimental data. Kerosene jets at various preheat temperatures injecting into both quiescent environment and Mach 2.5 crossflow were visualized. It was found that at injection pressure of 4 Mpa and preheat temperature of 550 K the kerosene jet was completely in vapor phase, while keeping almost the same penetration depth as compared to the liquid kerosene injection. Supersonic combustion tests were also carried out to compare the combustor performance for the cases of vaporized kerosene injection, liquid kerosene injection, and effervescent atomization with hydrogen barbotage, under the similar stagnation conditions. Experimental results demonstrated that the use of vaporized kerosene injection leads to better combustor performance. Further parametric study on vaporized kerosene injection in a supersonic model combustor is needed to assess the combustion efficiency as well as to identify the controlling mechanism for the overall combustion enhancement.
A well-behaved electrostatic potential-based method using charge restraints for deriving atomic char

We present a new approach to generating electrostatic potential (ESP) derived charges for molecules. The major strength of electrostatic potential derived charges is that they optimally reproduce the intermolecular interaction properties of molecules with a simple two-body additive potential, provided, of course, that a suitably accurate level of quantum mechanical calculation is used to derive the ESP around the molecule. Previously, the major weaknesses of these charges have been that they were not easily transferable between common functional groups in related molecules, they have often been conformationally dependent, and the large charges that frequently occur can be problematic for simulating intramolecular interactions
Inhibition effects of heavy metals (copper, nickel, zinc, lead) on anaerobic sludge

The inhibition effects of heavy metals (Cu, Ni, Zn, Pb) on to anaerobic sludge were investigated using glucose (3000 mg/l COD) as carbon source and electron donor with a batch experiments (serum bottle assays). The seed sludge was obtained from a UASB (upflow anaerobic sludge blanket) reactor treating yeast wastewater of the Pakmaya Yeast Factory in izmit, Turkey. The heavy metal concentrations tested were copper (1–1000 mgCu/l), nickel (1–3000 mgNi/l), zinc (1–1000 mgZn/l, and lead (1–10,000 mgPb/l). According to relative inhibition effects of heavy metals on methane producing activity of anaerobic sludge and COD removal in serum bottles experiments during incubation time (12 d) were Cu(most toxic) > Ni ˜ Zn > Pb(least toxic). In general, cumulative methane production (ml) decreased with increasing heavy metal concentrations above 10 mg/l. Inhibition effects of heavy metal values (1–10 mg/l) were low on COD removal. Heavy metals measurements in influent and effluent of serum bottles were also compared. E.
X-ray Back-Diffraction Profiles with an Si (111) Plate

A two- and, alternatively, a four-crystal monochromator were used for simultaneous measurements of the profiles backward (h) and forward (o) diffracted by a thin Si (111) crystal plate for diffraction angles up to exactly 90 ° at DCI-LURE (Orsay). It is shown that the set-up with a four-crystal monochromator allows the characterization of the back-diffraction region for any crystal plate reflection. Asymmetry and full width at half-maximum (FWHM) of the experimental backwarddiffraction profiles are analyzed. Possible simultaneous diffractions occurring near 90 ° incidence, giving extra peaks in the forward-diffracted profiles, are studied. The good contrast of the o-beam profiles suggests that the back-diffracted o beam could be used as a highly monochromatic beam.
Annual variation of CH4 emissions from the middle taiga in West Siberian Lowland (2005–2009): a case of high CH4 flux and precipitation rate in the summer of 2007

ABSTRACT We described continuous measurements of CH4 and CO2 concentration obtained at two sites placed in the middle taiga, Karasevoe (KRS) and Demyanskoe (DEM), in West Siberian Lowland (WSL) from 2005 to 2009. Although both CH4 and CO2 accumulation (ΔCH4 and ΔCO2) during night-time at KRS in June and July 2007 showed an anomalously high concentration, higher ratios of ΔCH4/ΔCO2 compared with those in other years indicated that a considerably higher CH4 flux occurred relative to the CO2 flux. The daily CH4 flux calculated with the ratio of ΔCH4/ΔCO2 and terrestrial biosphere CO2 flux from an ecosystem model showed a maximum in July at the both sites. Although anomalously high flux was observed in June and July 2007 at KRS, only a small flux variation was observed at DEM. The high regional CH4 flux in June and July 2007 at KRS was reproduced using a process-based ecosystem model, Vegetation Integrative Simulator for Trace gases (VISIT), in response to high water table depth caused by the anomalously high precipitation during the summer of 2007.
A computer simulation study of racemic mixtures

A simple model for a chiral molecule is proposed. The model consists of a central atom bonded to four different atoms in tetrahedral coordination. Two different potentials were used to describe the pair potentials between atoms: the hard sphere potential and the Lennard-Jones potential. For both the hard sphere and the Lennard-Jones chiral models, computer simulations have been performed for the pure enantiomers and also for the racemic mixture. The racemic mixture consisted of an equimolar mixture of the two optically active enantiomers. It is found that the equations of state are the same, within statistical uncertainty, for the pure enantiomer fluid and for the racemic mixture. Only at high pressures does the racemic mixture seem to have a higher density, for a given pressure, than the pure enantiomer. Concering the structure, no difference is found in the site-site correlation functions between like and unlike molecules in the racemic mixture either at low or at high densities. However, small differences are found for the site-site correlations of the pure enantiomer and those of the racemic mixtures. In the Lennard-Jones model, similar conclusions are drawn. The extension of Wertheim's first-order perturbation theory, denoted bonded hard sphere theory (ARCHER, A. L., and JACKSON, G., 1991, Molec. Phys., 73, 881; AMOS, M. D., and JACKSON, G., 1992, J. chem. Phys., 96, 4604), successfully reproduces the simulation results for the hard chiral model. Virial coefficients of the hard chiral model up to the fourth have also been evaluated. Again, no differences are found between virial coefficients of the pure fluid and of the racemic mixture. All the results of this work illustrate the quasi-ideal behaviour of racemic mixtures in the fluid phase.
Synthesis of 2-Azido-1,3-thiazoles as 1,2,3-Triazole Precursors

By diazotization of 2-aminothiazoles and reaction with sodium azide, the derivatives of 2-azidothiazole were synthesized. Conditions of diazotization were selected according to the nature of a substituent in thiazoles. 2-Azidothiazole derivatives were studied in the base-catalysed condensation reactions with activated methylenic compounds to yield new 1-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxylic acids.
Synthesis and exchange reactions of polymers containing reactive phthalimide groups

N-Methacryloyloxyphthalimide (NMPI) and N-methacryloyloxytetrabromophthalimide (NMTPI) were prepared by the reaction of methacrylic acid with N-hydroxy-phthalimide and N-hydroxytetrabromophthalimide, respectively. The resulting monomers were polymerized. The reactions of the resulting polymers with hydroxy and amine compounds have been studied. N-Methacryloyloxyphthalimid und N-Methacryloyloxytetrabromphthalimid wurden durch Reaktion von Methacrylsaure bzw. Methacryloylchlorid mit N-Hydroxyphthalimid bzw. N-Hydroxytetrabromphthalimid hergestellt und homopolymerisiert. Die Austauschreaktionen der Polymeren mit Hydroxy- und Amin-Verbindungen wurden untersucht.
Nanoporous Gold Ribbons with Bimodal Channel Size Distributions by Chemical Dealloying of Al−Au Alloys

We present a novel and simple strategy to synthesize nanoporous gold (NPG) ribbons with bimodal channel size distributions. The NPG ribbons can be fabricated from Al−Au alloys through rapid solidification and chemical dealloying. The microstructure of these NPG ribbons was characterized using X-ray diffraction, scanning electron microscopy, energy dispersive X-ray analysis, transmission electron microscopy, and high-resolution transmission electron microscopy. These NPG ribbons are composed of large-sized channels (hundreds of nanometers) with highly porous channel walls (tens of nanometers). Both large- and small-sized channels are 3D, open, and bicontinuous. The length scales of the large-sized channels can be modulated by changing the alloy composition, and those of small ligaments/channels in the channel walls can be tuned by changing the dealloying solution.
The Use of Handheld near Infrared Reflectance Spectroscopy for the Proximate Analysis of Poultry Feed and to Detect Melamine Adulteration of Soya Bean Meal

This paper describes a comparison between handheld near infrared (NIR) and benchtop instruments for determination of proximate analysis of poultry feed using off-the-shelf calibration models and including statistical analysis. In an additional application, melamine-adulterated soya bean products were used to develop qualitative and quantitative calibration models from the NIR spectral data collected. Excellent calibration models and prediction statistics were obtained.
Hybrid Cd‐free CIGS solar cell/TEG device with ZnO nanowires

A green energy device with a CuInGaSe2 (CIGS) photovoltaic (PV) cell covered with a passive light‐trapping structure (ZnO nanowires (NWs)) and connected to an active energy‐harvesting device (thermoelectric generator (TEG)) is presented. The efficiency of the ZnO NWs/CIGS PV device obtained using a deposition temperature of 550 °C and Cd‐free processes reaches 16.5%. The series‐connected CIGS PV cell with a TEG had a record‐high efficiency of 22% at a cool‐side temperature (Tc) below 5 °C. The open‐circuit voltage (Voc) of the hybrid CIGS PV/TEG device was increased from 0.64 to 0.85 V. This technology has potential for high‐efficiency energy‐harvesting applications. Copyright © 2014 John Wiley & Sons, Ltd.
Efecto Antiinflamatorio Preclínico del Polvo Seco de Caléndula officinalis

SUMMARY. “Preclinical Anti-Inflammatory Effects of Dry Powder of Calendula officinalis”. With the objective to demonstrate the anti-inflammatory effect of Calendula officinalis dry powder, doses of 50, 150 and 450 were used on inflammation induced by carragenin, dextran, histamine and serotonine, the granulome induced by cotton pellets in rats and ear inflammation induced by croton oil in mice. The spray dried powder of Calendula officinalis inhibited the inflammatory process in all animal model employed without affecting tymus’s and adrenal’s weight. These results show that the powder of Calendula officinalis obtained by spray drying is active in inflammatory processes of diverse nature.
Organic and Inorganic P Sources Interacting with Applied Rhizosphere Bacteria and Their Effects on Growth and P Supply of Maize

Plant growth–promoting rhizobacteria (PGPR) may enhance the plant availability of phosphorus (P) in soil. A greenhouse pot experiment was conducted cultivating maize (Zea mays L.) on a P-deficient soil. Three bacterial treatments (control without PGPR and application of either Enterobacter radicincitans sp. nov. strain DSM 16656 or Pseudomonas fluorescens strain DR54) were tested in conjunction with three P treatments [no P addition, inorganic P as triplesuperphosphate (TSP), and organic P as phytin] at two different growth stages of maize (V6 and V9). Amendment with TSP enhanced growth, P uptake, and highly bioavailable P pools in soil to a greater extent than phytin. In contrast, arbuscular mycorrhiza (AM) formation of maize roots after phytin application doubled those for the TSP treatment or the control without P. Application of PGPR was also able to increase AM formation and P uptake of maize, especially when no P source was added. Furthermore, P. fluorescens inoculation resulted in an increase of highly soluble soil P pools at the early growth stage. Greater impacts of phytin on P nutrition of maize may exist in a longer term as a result of slow P release and promotion of AM fungi. Benefits to maize P nutrition derived from PGPR application can be expected under P deficiency.
Quantum Advantage with Timestamp Membosonsampling

Quantum computer, harnessing quantum superposition to boost a parallel computational power, promises to outperform its classical counterparts and offer an exponentially increased scaling. The term "quantum advantage" was proposed to mark the key point when people can solve a classically intractable problem by artificially controlling a quantum system in an unprecedented scale, even without error correction or known practical applications. Boson sampling, a problem about quantum evolutions of multi-photons on multimode photonic networks, as well as its variants, has been considered as a promising candidate to reach this milestone. However, the current photonic platforms suffer from the scaling problems, both in photon numbers and circuit modes. Here, we propose a new variant of the problem, timestamp membosonsampling, exploiting the timestamp information of single photons as free resources, and the scaling of the problem can be in principle extended to infinitely large. We experimentally verify the scheme on a self-looped photonic chip inspired by memristor, and obtain multi-photon registrations up to 56-fold in 750,000 modes with a Hilbert space up to $10^{254}$. Our work exhibits an integrated and cost-efficient shortcut stepping into the "quantum advantage" regime in a photonic system far beyond previous scenarios, and provide a scalable and controllable platform for quantum information processing.
GPU Accelerated Exhaustive Search for Optimal Ensemble of Black-Box Optimization Algorithms

Black-box optimization is essential for tuning complex machine learning algorithms which are easier to experiment with than to understand. In this paper, we show that a simple ensemble of black-box optimization algorithms can outperform any single one of them. However, searching for such an optimal ensemble requires a large number of experiments. We propose a Multi-GPU-optimized framework to accelerate a brute force search for the optimal ensemble of black-box optimization algorithms by running many experiments in parallel. The lightweight optimizations are performed by CPU while expensive model training and evaluations are assigned to GPUs. We evaluate 15 optimizers by training 2.7 million models and running 541,440 optimizations. On a DGX-1, the search time is reduced from more than 10 days on two 20-core CPUs to less than 24 hours on 8-GPUs. With the optimal ensemble found by GPU-accelerated exhaustive search, we won the 2nd place of NeurIPS 2020 black-box optimization challenge.
Possible origin of nonlinear magnetic anisotropy variation in electric field effect in a double interface system

We investigated the effect of an electric field on the interface magnetic anisotropy of a thin MgO/Fe/MgO layer using density functional theory. The perpendicular magnetic anisotropy energy (MAE) increases not only under electron depletion but also under some electron accumulation conditions, showing a strong correlation with the number of electrons on the interface Fe atom. The reverse variation in the MAE under the electric field is ascribed to novel features on the charged interface, such as electron leakage. We discuss the origin of the variation in terms of the electronic structures.
Corrosion behaviour of ionic liquids

The corrosion behaviour of carbon steel, austenitic stainless steel, nickel-based alloy C22, copper, brass and aluminium (AlMg3) was investigated in seven ionic liquids (ILs) with different chemical structure under flow conditions at temperatures up to 90 °C. Stainless steel proved resistant in all water-free and water-diluted systems tested. Alloy C22 generally was not attacked, however, it was also moderately corroded in a diluted IL with dimethyl phosphate as anion. For carbon steel and aluminium the corrosivity of IL media strongly depends on the chemical structure of the cationic moiety and the nature of anion in the IL molecule. Anions like tosylate and dimethyl phosphate generally trigger higher corrosivity specifically in water-diluted ILs. In general, the aluminium alloy performed better than carbon steel, specifically in water-free ILs. Copper and brass generally suffer from severe attack in IL media at higher temperatures. However, it was demonstrated that corrosion inhibition is possible.
Molecular Dynamics Modeling of Clay Minerals. 1. Gibbsite, Kaolinite, Pyrophyllite, and Beidellite

A molecular dynamics model for clays and the oxide minerals is desirable for studying the kinetics and thermodynamics of adsorption processes. To this end, a valence force field for aluminous, dioctahedral clay minerals was developed. Novel aspects of this development include the bending potential for octahedral O−Al−O angles, which uses a quartic polynomial to create a double-well potential with minima at both 90° and 180°. Also, atomic point charges were derived from comparisons of ab initio molecular electrostatic potentials with X-ray diffraction-based deformation electron densities. Isothermal−isobaric molecular dynamics simulations of quartz, gibbsite, kaolinite, and pyrophyllite were used to refine the potential energy parameters. The resultant force field reproduced all the major structural parameters of these minerals to within 1% of their experimentally determined values. Transferability of the force field to simulations of adsorption onto clay mineral surfaces was tested through simulations of .
Stochastic reverberation model for uniform and non-diffuse acoustic fields

In a recent research report, we introduced a general stochastic reverberation model that aims to represent the statistical properties of reverberation in a broad variety of acoustic environments. A simplified version of this model, dedicated to the particular case of diffuse (i.e. uniform and isotropic) acoustic fields, omnidirectional sources and microphones, and constant attenuation w.r. t frequency, has been investigated both mathematically and experimentally in a recent research paper. We showed that this model provides a common mathematical framework that unifies several well-known results regarding the statistical properties of reverberation in the space, time and frequency domains. In this research report, we aim to extend this mathematical analysis to uniform and non-diffuse acoustic fields, and directive sources and microphones. We show that the predictions of the general stochastic model experimentally match the observations, based on both synthetic and real room impulse responses, measured in various acoustic environments.
A Practical Approach to Quantitative Metal Analysis of Organic Matrices Using ICP‐OES5

Chapter 1: Basic Background to Atomic Spectroscopy. Chapter 2: Instrumentations Associated With Atomic Spectroscopy. Chapter 3: Methodologies of Metal Analysis of Organic Matrices Using ICP-OES. Chapter 4: Analysis of Plastics, Fibres and Textiles for Metals Content using ICP-OES. Chapter 5: Metal Analysis of Virgin and Crude Petroleum Products. Chapter 6: Metal Analysis of Structural Adhesives. Chapter 7: Hyphenated and Miscellaneous Techniques Used With ICP-OES.
Progress-variable approach for large-eddy simulation of turbulent combustion

A new approach to chemistry modeling for large eddy simulation of turbulent reacting flows is developed. Instead of solving transport equations for all of the numerous species in a typical chemical mechanism and modeling the unclosed chemical source terms, the present study adopts an indirect mapping approach, whereby all of the detailed chemical processes are mapped to a reduced system of tracking scalars. Presently, only two such scalars are considered: a mixture fraction variable, which tracks the mixing of fuel and oxidizer, and a progress variable, which tracks the global extent-of-reaction of the local mixture. The mapping functions, which describe all of the detailed chemical processes with respect to the tracking variables, are determined by solving quasi-steady diffusion-reaction equations with complex chemical kinetics and multicomponent mass diffusion. The performance of the new model is compared to fast chemistry and steady flamelet models for predicting velocity, species concentration, and temperature fields in a methane-fueled coaxial jet combustor for which experimental data are available. The progress-variable approach is able to capture the unsteady, lifted flame dynamics observed in the experiment, and to obtain good agreement with the experimental data and significantly outperform the fast chemistry and steady flamelet models, which both predict an attached flame.
Electrical Conduction Behavior of BaO-doped LaInO3 Perovskite Oxide

In the La1-xBaxInO3-δ system, the compositions of x=0.1–0.3 were analyzed to consist of cubic and orthorhombic structures. The composition of x=0.4, viz., La0.6Ba0.4InO3-δ, was analyzed to be a single phase of a simple cubic. Under a dry atmosphere, La0.6Ba0.4InO3-δ exhibited a mixed conduction behavior of oxide ion and p-type electronic conductions at high oxygen partial pressures. However, in a nitrogen atmosphere, it showed pure oxide ion conduction. Proton conduction was observed in the presence of water vapor and the activation energy for proton conduction was measured as 0.84 eV.
Imaging Immiscible Liquid-Liquid Systems by Capacitance Tomography

Electrical capacitance tomography offers the opportunity to visualize the contents of a process vessel or pipeline which contains dielectric materials or where the continuous phase is a non-conducting dielectric. This work describes the application of this novel imaging technique to a range of liquid-liquid processes from a laboratory-scale mixing vessel to an industrial-scale liquid-liquid contactor. Single-plane specially-designed sensors containing arrays of either 8 or 12 measurement electrodes, with the same number of driven-guard electrodes, were attached to a bench-scale (diameter—0.15 m) mixer, a bench-scale (diameter—0.10 m) flow column, and a large (diameter—0.6 m) flow column. The capacitance measurements were processed by an image reconstruction algorithm based on linear back-projection to convert the measurements to images of the distribution of dispersed phase across the section of the equipment under investigation. Tomographic images of the distribution of dispersed phase were obtained. These images clearly show the distribution of dispersed phase within the sensing zone of these liquid-liquid systems. The potential application of ECT as a non-intrusive monitor of liquid-liquid systems in industrial-scale contactors is very promising indeed.