Spectrometric Measurements Research Articles

Synthesis of Silicon in the Interaction of Aluminum With a Quasi-Neutron and Estimation of the Contribution of the Aluminum Hydride Complex

Among the nuclear fusion reactions of new elements, the simplest reaction refers to the capture of a proton p by the nucleus of the original element ZXA with the formation of the Z + 1YA+1 nucleus (Z and A are the charge and mass number of the element X). In the case of cold fusion, the occurrence of such a reaction is associated with the existence of quasi-neutron (p + e) states in which the proton is “escorted” by the electron e: ZXA + (p + e) ! Z + 1YA+1 + e. For example the synthesis of zinc from copper was established. It is important to note that the ratios of the proportions of synthesized isotopes in most cases should differ significantly from natural ratios, which would certainly confirm their artificial origin. The data of preliminary mass spectrometric measurements for the synthesis of zinc from copper, gallium from zinc, and rhenium from tungsten are consistent with this conclusion. However, for relatively heavy elements, the masses of daughter atoms with Z + 1YA+1 nuclei are difficult to distinguish from the masses of hydride complexes of parent atoms with ZXA nuclei and hydrogen atoms H formed in the course of mass spectrometric measurements. In this regard, the problem of estimating the contributions of daughter atoms and hydride complexes is topical. The solution of this problem was carried out for the case of silicon synthesis from aluminum. In an air environment with water vapor, an electric arc was ignited between an aluminum anode and a tungsten cathode. Aluminum has one stable isotope 13Al27; therefore, the synthesis of only one of the three stable silicon isotopes 14Si28 was expected, which was observed in the mass spectrum of the powder formed on the anode surface (peak at ⇡ 27.977 a.m.u.). The AlH complex corresponds to a peak at ⇡ 27.989 a.m.u. This peak has a height approximately 2.5 times less than the height of the peak for the mass distribution of silicon atoms. Thus, the relatively low intensity for the mass distribution of the AlH complex suggests that it is the isotope ratios of the synthesized daughter nuclei that make the main contributions to the observed isotope mass ratios in the cases of parent atoms having several stable isotopes.

Nanoparticles for treatment of cadmium-contaminated cocoa-growing soils and beans: Performance on metal immobilization and removal.

Some areas of tropical soils where cocoa grows contain high cadmium (Cd) concentrations. The cocoa plant's need for nutrition causes the reticular system to uptake the toxic metal, translocate it, and accumulate it in roots, stems, and other edible parts such as cocoa beans and shells, threatening the health of cocoa consumers. To cope with this difficulty, different treatments have been applied to cadmium-contaminated soils, but they showed limited success. In this study, we prepared multicomponent nanoparticles (MCNPs) to treat cocoa soils in fixed-bed columns and field tests. Also, MCNPs were mixed with two varieties of cocoa beans, CNN51 and Fino de Aromain, during the fermentation, aiming to capture the cadmium. Our field investigations began by collecting soil samples from three Ecuadorian cocoa-producing farms to determine their physicochemical properties, cadmium, and iron contents. A few weeks later, a home-built prototype was installed in a cocoa plantation to fabricate the nanomaterials using commercial-grade chemicals and rainwater. Scanning Electron Microscope (SEM) images showed MCNPs with an average size of 65.21 nm and the formation of chain-like aggregates. In contrast, MCNPs size was 76.6 nm, measured with Dispersed Light Scattering (DLS). The chemical composition of MCNPs was 90.7% Fe0 and 1.81% sulfur (S), analyzed by energy dispersal X-ray (EDX) and confirmed by X-ray diffraction (XRD) spectrometer measurements. Regarding the treatments, for the fixed-bed column tests, 0.28-1.08 L/kg was dosed into the soil, while for field treatments, 250, 500, and 835 mL/min MCNPs were injected in soil areas of 5 m2 surrounding each cocoa tree (0.5-4.5 mg MCNPs/kg soil) at depths between 0 and 5 cm. Test results revealed that the procedure applied in the field did not reproduce the metal’s immobilization (∼22%) as in the fixed-bed columns (∼80%). Moreover, cadmium removal was ∼ 20% and ∼75% after treating CCN51 and Fino de Aroma cocoa beans with 0.112 kg MCNPs/kg in the fermentation on-site and 0.034 kg MCNPs/kg in the laboratory. In this study, the size and chain-like aggregates of MCNPs notably influenced the field treatments as they precluded the filtration of MCNPs downwards. However, immobilizing cadmium could be more effective in soils with higher concentrations of the metal and multicomponent nanoparticles of smaller size, expanding our research scope and offering a practical solution to pollution issues in cocoa-growing regions.

Mixed surfactants with solubilization behaviors: Separation of feldspar and quartz by self-assembly flotation

This study designed a mixed surfactant with solubilization behavior for selective flotation separation of feldspar and quartz. By optimizing the compounding ratio and dosage of reagents, the optimal mixed surfactants, dodecylamine (DDA), sodium dodecyl sulfate (SDS), and dodecane with the concentrations of 1.75, 0.58, and 3.5 mmol/L, used in flotation separation of feldspar and quartz has the maximum flotation difference of 91.36 % at pH 3 for single mineral. The result of flotation experiments of artificial-mixed-ore shows that the Al2O3 grade was maintained at 14.23 %, and Al2O3 recovery was achieved at 69.21 % for the froth product with a selectivity index (SI) of 1.59. The bench-scale flotation tests confirmed a better effect by using mixed surfactants with Al2O3 grades of 14.72 % and the Al2O3 recovery of 66.62 %. The separation mechanism of quartz and feldspar was proposed through analyses of critical micelle concentration (CMC), fourier transform infrared spectrometer (FTIR), contact angle, zeta potential, microscopy image, and X-ray photoelectron spectroscopy (XPS) measurements, and indicated that the flotation difference between quartz and feldspar mainly originated from the selective adsorption of anions on feldspar and the aggregation and subsidence of quartz in mixed surfactants.

Improving solution availability and temporal consistency of an optimal-estimation physical retrieval for ground-based thermodynamic boundary layer profiling

Abstract. Thermodynamic profiles in the atmospheric boundary layer can be retrieved from ground-based passive remote sensing instruments like infrared spectrometers and microwave radiometers with optimal-estimation physical retrievals. With a high temporal resolution on the order of minutes, these thermodynamic profiles are a powerful tool to study the evolution of the boundary layer and to evaluate numerical models. In this study, we describe three recent modifications to the Tropospheric Remotely Observed Profiling via Optimal Estimation (TROPoe) retrieval framework, which improve the availability of valid solutions for different atmospheric conditions and increase the temporal consistency of the retrieved profiles. We present methods to enhance the availability of valid solutions retrieved from infrared spectrometers by preventing overfitting and by adding information from an additional spectral band in high-moisture environments. We show that the characterization of the uncertainty of the input and the choice of spectral infrared bands are crucial for retrieval performance. Since each profile is retrieved independently from the previous one, the time series of the thermodynamic variables contain random uncorrelated noise, which may hinder the study of diurnal cycles and temporal tendencies. By including a previous retrieved profile as input to the retrieval, we increase the temporal consistency between subsequent profiles without suppressing real mesoscale atmospheric variability. We demonstrate that these modifications work well at midlatitudes, polar and tropical sites, and for retrievals based on infrared spectrometer and microwave radiometer measurements.

The relationship between spectral signals and retinal sensitivity in dendrobatid frogs.

Research on visually driven behavior in anurans has often focused on Dendrobatoidea, a clade with extensive variation in skin reflectance, which is perceived to range from cryptic to conspicuous coloration. Because these skin patterns are important in intraspecific and interspecific communication, we hypothesized that the visual spectral sensitivity of dendrobatids should vary with conspecific skin spectrum. We predicted that the physiological response of frog retinas would be tuned to portions of the visible light spectrum that match their body reflectance. Using wavelength-specific electroretinograms (ERGs; from 350-650 nm), spectrometer measurements, and color-calibrated photography of the skin, we compared retinal sensitivity and reflectance of two cryptic species (Allobates talamancae and Silverstoneia flotator), two intermediate species (Colostethus panamansis and Phyllobates lugubris), and two conspicuous aposematic species (Dendrobates tinctorius and Oophaga pumilio). Consistent with the matched filter hypothesis, the retinae of cryptic and intermediate species were sensitive across the spectrum, without evidence of spectral tuning to specific wavelengths, yielding low-threshold broadband sensitivity. In contrast, spectral tuning was found to be different between morphologically distinct populations of O. pumilio, where frogs exhibited retinal sensitivity better matching their morph's reflectance. This sensory specialization is particularly interesting given the rapid phenotypic divergence exhibited by this species and their behavioral preference for sympatric skin reflectances. Overall, this study suggests that retinal sensitivity is coevolving with reflective strategy and spectral reflectance in dendrobatids.

TCP-UQ: two-color pyrometry uncertainty quantification using high speed color cameras

Abstract In this study, an uncertainty quantification method is developed for two-color pyrometry (TCP-UQ), using high-speed color cameras. A NIST traceable calibrated light source is used and the relative exposure is determined using spectrometer measurements and color camera response functions. The inherent digitization and noise uncertainty is estimated from a set of calibration images and characterized with probability distribution functions. These uncertainties are then propagated during TCP to two quantities of interest: the temperature and soot volume fraction measurements. TCP-UQ is applied to a polymethyl methacrylate slab burner experiment to determine the temperature and the soot volume fraction fields. Temperature measurements ranged from 2300 K to 2800 K , soot volume fractions are recorded between 0.5 and 10 ppm and are in good agreement with prior measurements reported in the literature. The newly developed TCP-UQ allows for uncertainty estimations in the temperature and the soot volume fraction measurements to be associated with variations in the pixel intensities. For the slab burner experiment, the average uncertainty in the temperature is between 120–140 K and the average uncertainty in the soot volume fraction is around 0.1 ppm. Generally, higher pixel intensities corresponded to lower uncertainty in the temperature measurement.

Measuring 15N and 13C Enrichment Levels in Sparsely Labeled Proteins Using High-Resolution and Tandem Mass Spectrometry.

Isotope labeling of both 15N and 13C in selected amino acids in a protein, known as sparse labeling, is an alternative to uniform labeling and is particularly useful for proteins that must be expressed using mammalian cells, including glycoproteins. High levels of enrichment in the selected amino acids enable multidimensional heteronuclear NMR measurements of glycoprotein three-dimensional structure. Mass spectrometry provides a means to quantify the degree of enrichment. Mass spectrometric measurements of tryptic peptides of a selectively labeled glycoprotein expressed in HEK293 cells revealed complicated isotope patterns which consisted of many overlapping isotope patterns from intermediately labeled peptides, which complicates the determination of the label incorporation. Two challenges are uncovered by these measurements. Metabolic scrambling of amino groups can reduce the 15N content of enriched amino acids or increase the 15N in nontarget amino acids. Also, undefined, unlabeled medium components may dilute the enrichment level of labeled amino acids. The impact of this unexpected metabolic scrambling was overcome by simulating isotope patterns for all isotope-labeled peptide states and generating linear combinations to fit to the data. This method has been used to determine the percent incorporation of 15N and 13C labels and has identified several metabolic scrambling effects that were previously undetected in NMR experiments. Ultrahigh mass resolution is also utilized to obtain isotopic fine structure, from which enrichment levels of 15N and 13C can be assigned unequivocally. Finally, tandem mass spectrometry can be used to confirm the location of heavy isotope labels in the peptides.

Quick Spectrometric Characterization of Monolithic Perovskite Silicon Tandem Solar Cells Using Monochromatic Light Sources

In monolithic perovskite silicon dual‐junction solar cells, it is crucial that the subcells are current‐matched to maximize performance. The most precise method to determine the current (mis)match of a monolithic dual‐junction solar cell is a spectrometric measurement with, e.g., a light‐emitting diode (LED)‐based solar simulator. However, recoding multiple current voltage curves (IV curves) under different red‐ and blueshifted spectra relative to the AM1.5g reference spectrum is time‐consuming. Herein, a new method is suggested to quickly test solar cells for current mismatch. A solar simulator with two lasers instead of multiple LEDs is used, so that two monitor diodes can track intensity changes of each light source during the measurement. Postmeasurement corrections can be applied using this data, circumventing long stabilization times of the solar simulator. To minimize the scan time, it is focused only on determining the correct short‐circuit current and not the full IV curve. The measurement method is validated comparing it to conventional spectrometric measurements using a stable III–V monolithic dual‐junction solar cell. The measurement on the proof‐of‐concept setup shows a deviation of only 2.3% in the current at the current matching point compared to the reference measurement.

Mechanistic Insights into the cis-Selective Catalytic Ring-Opening Metathesis Polymerization.

Cis-selective ring-opening metathesis polymerization (ROMP) with the commercial Grubbs "nitrato catalyst" has shown promise for synthesizing stereoregular materials, but it comes with the drawback of losing control over the molecular weight due to the poor initiation rate of the catalyst and the need for stoichiometric ruthenium complex loading. To address these issues, we developed a chain transfer polymerization method that allows for the catalytic synthesis of polymers while controlling the degree of polymerization. This allowed us to produce shorter polymers with exceptional chain-end control. Analysis of the polymers revealed a novel double monomer addition mechanism for this catalyst. MALDI-ToF mass spectrometric measurements showed that when using small monomers like norbornene, the polymer chains contained only odd numbers of monomers. In contrast, the polymerization of norbornene-imide-type monomers shows a major distribution with odd numbers of monomers along with a minor distribution of even numbers. This unique distribution of polymer chain types had not been previously observed in ROMP. We explain this phenomenon by the chiral nature of the catalyst that yields two isomeric catalytic species with dissimilar reactivities toward monomer and chain transfer agents.

Methanol steam reforming over copper supported on apatites

Low-temperature methanol steam reforming (MSR) over Cu is an efficient process for releasing H2 from this promising liquid hydrogen carrier but the Cu contents of commercial catalysts are often exceedingly high. Here we show that Sr-exchanged fluoro and hydroxyapatites with 1 wt% Cu exhibit very high methanol turnover frequencies up to 386 h−1 and H2 production rates up to 6569 mol H2 kgCu−1 h−1 with CO selectivity as low as ∼0.25 % at 250 °C. Formaldehyde and methyl formate are the only other byproducts which are especially observed over catalysts with low Sr/P ratio in the hydroxyapatite. The reforming proceeds through methoxy, formaldehyde and formate species according to in situ FTIR and mass spectrometric measurements. The spectroscopic analyses further reveal the involvement of apatitic HPO42- ions in the catalytic sequence. Thus, the catalytic synergy between Cu and apatites provides a basis for highly efficient, bifunctional MSR catalysts with low copper content.

A Modeling Framework of Atmospheric CO2 in the Mediterranean Marseille Coastal City Area, France

As atmospheric CO2 emissions and the trend of urbanization both increase, the ability to accurately assess the CO2 budget from urban environments becomes more important for effective CO2 mitigation efforts. This task can be difficult for complex areas such as the urban–coastal Mediterranean region near Marseille, France, which contains the second most populous city in France as well as a broad coastline and nearby mountainous terrain. In this study, we establish a CO2 modeling framework for this region for the first time using WRF-Chem and demonstrate its efficacy through comparisons against cavity-ringdown spectrometer measurements recorded at three sites: one 75 km north of the city in a forested area, one in the city center, and one at the urban/coastal border. A seasonal CO2 analysis compares Summertime 2016 and Wintertime 2017, to which Springtime 2017 is also added due to its noticeably larger vegetation uptake values compared to Summertime. We find that there is a large biogenic signal, even in and around Marseille itself, though this may be a consequence of having limited fine-scale information on vegetation parameterization in the region. We further find that simulations without the urban heat island module had total CO2 values 0.46 ppm closer to the measured enhancement value at the coastal Endoume site during the Summertime 2016 period than with the module turned on. This may indicate that the boundary layer on the coast is less sensitive to urban influences than it is to sea-breeze interactions, which is consistent with previous studies of the region. A back-trajectory analysis with the Lagrangian Particle Dispersion Model found 99.83% of emissions above 100 mol km−2 month−1 captured in Summer 2016 by the three measurement towers, providing evidence of the receptors’ ability to constrain the domain. Finally, a case study showcases the model’s ability to capture the rapid change in CO2 when transitioning between land-breeze and sea-breeze conditions as well as the recirculation of air from the industrial Fos region towards the Marseille metroplex. In total, the presented modeling framework should open the door to future CO2 investigations in the region, which can inform policymakers carrying out CO2 mitigation strategies.

Enhanced electrochemical performance of garnet Li7La3Zr2O12 electrolyte by efficient incorporation of LiCl

Garnet-type Ta-doped Li7La3Zr2O12 (LLZO) lithium-ion-conducting ceramic electrolytes has become the promising and critical candidate for developing the high-energy-density all-solid-state lithium batteries, due to the satisfied Li+ conductivity, stability against metallic lithium anode, and the feasible preparation under ambient air. Here, to further increase the lithium-ion conductivity of LLZO comparable to that of the commercial organic liquid electrolytes, lithium chloride (LiCl) is effectively introduced to synthesize the garnet-type ceramic electrolytes with the nominal composition (Li6.5La3Zr1.5Ta0.5O12)1-x–(LiCl)x (x = 0, 5mol%, 10mol%, 15mol%, 20mol%, and 25mol%) via high-temperature calcination process. The cubic structure with highly conductive performance is confirmed from X-ray diffraction measurement as well as Raman spectra analysis. Structural information is observed according to field emission scanning electron microscope equipped with energy dispersive spectrometer and density measurements. Among above investigated ceramic compositions, the prepared (Li6.5La3Zr1.5Ta0.5O12)0.85–(LiCl)0.15 ceramic electrolyte sheet sintered at 1200 °C for 12h presents the room-temperature Li-ion conductivity of 1.22 × 10−3 S·cm−1 by alternating current (AC) impedance analysis along with the corresponding activation energy of 0.262eV through Arrhenius equation calculation. The electronic conductivity measurements are also done by direct-current polarization to confirm the ionic nature for all investigated ceramics. Furthermore, the Li|(Li6.5La3Zr1.5Ta0.5O12)0.85–(LiCl)0.15 |Li symmetric batteries can possess the small interfacial resistance of 92.3 Ω cm2 and stably run for 1000 h at 0.1 mA cm−2 without a short circuit at room temperature. The hybridized lithium-sulfur battery with (Li6.5La3Zr1.5Ta0.5O12)0.85–(LiCl)0.15 electrolyte delivered excellent initial room-temperature discharge capacity of 1204mAh·g−1 and 1152 mAh·g−1 under the current density of 0.1C and 0.2C respectively, large coulombic efficiency, and great cycling stability. Moreover, the lithium-sulfur batteries also can show excellent cycling performances under different current densities and a good capacity recoverability. The above investigation results suggest that the low-melting-point LiCl incorporation in Li6.5La3Zr1.5Ta0.5O12 electrolyte is an effective measurement to synthesize the cubic and dense Li-stuff garnet ceramic sheets for the high-performance rechargeable next-generation solid-state batteries.

Verification on Molybdenum-99 (99Mo) Breakthrough from Non-Fission 99Mo/99mTc Generator to Produce Technetium-99m (99mTc) Medical Radionuclide

Abstract The medical radionuclide 99mTc is the most widely used type of radionuclide in the field of nuclear medicine. 99mTc is the decay product of 99Mo. One of the quality control parameters of 99mTc is the 99Mo breakthrough limit. It is important to know the 99Mo breakthrough so that the quality of 99mTc produced can be optimal for diagnosis in nuclear medicine. This study aims to verify the 99Mo breakthrough activity from a non-fission 99Mo/99mTc generator whether they meet the established international limit standard. This research used a non-fission 99Mo/99mTc generator produced in multipurpose reactor G.A. Siwabessy, Indonesia. Gamma Spectrometer measurement of 99Mo and two 5 mL liquid standard sources of mix 133Ba and 152Eu used the same geometry. First standard as a calibration and efficiency identification function while the second standard is used to verify the measurement each at 3, 5, 7, 9 and 11 cm source to detector distance respectively. The 99Mo breakthrough activity (µCi) then devided to the activity of 99mTc (mCi) for the six eluted product from each days elution process of the generator. The results obtained showed that the 99Mo elution in the first elution had the highest breakthrough of 0.233 uCi 99Mo /mCi 99mTc, which exceeded the set limit of 0.15 uCi 99Mo /mCi 99mTc. While in the second, third, fourth, and fifth elution still have the 99Mo breakthrough, but these breakthrough did not exceed the limit and met one of the requirements of the 99mTc medical radionuclide parameter.

A new multi-analytical procedure for radiocarbon dating of historical mortars

The overarching challenge of this research is setting up a procedure to select the most appropriate fraction from complex, heterogeneous materials such as historic mortars in case of radiocarbon dating. At present, in the international community, there is not a unique and fully accepted way of mortar sample preparation to systematically obtain accurate results. With this contribution, we propose a strategy for selecting suitable mortar samples for radiocarbon dating of anthropogenic calcite in binder or lump. A four-step procedure is proposed: (I) good sampling strategies along with architectural and historical surveys; (II) mineralogical, petrographic, and chemical characterization of mortars to evaluate the feasibility of sample dating; (III) a non-destructive multi-analytical characterization of binder-rich portions to avoid geogenic calcite contamination; (IV) carbonate micro-sample preparation and accelerator mass spectrometer (AMS) measurements. The most innovative feature of the overall procedure relies on the fact that, in case of positive validation in step III, exactly the same material is treated and measured in step IV. The paper aims to apply this procedure to the ancient mortar of the Florentine historical building (Trebbio Castle), selecting micro-samples suitable for dating in natural hydraulic mortars. The discussion of the mortar dating results with the historical-archaeological hypotheses provided significant insights into the construction history of the building.

Gamma-Ray Self-Absorption Corrections in Stainless Steel 12Х18Н10Т for the Needs of Non-Destructive Isotopic Differentiation of Shielded Actinides

One of the main tasks of nuclear science and technology is related to the development of methods of countermeasures, circulation, non-proliferation, and safe use of shielded nuclear materials - actinides. To solve this problem, information about their isotopic and quantitative composition is necessary. One of the main methods of non-destructive differentiation of shielded actinides, which is constantly being developed, is based on the use of their characteristic or stimulated gamma rays. For its implementation, information on the self- absorption of gamma rays of a wide energy range in screens (combinations of the elements from which they are made) is required. The results of calculations of the dependence of the self-absorption values of gamma rays in stainless steel 12X18N10 on their energy (100 keV ÷ 3000 keV) at fixed values of the screen thickness (0.1 ÷ 20 mm) are presented in the article. It was established that the self-absorption of gamma rays has smaller values for the energy range of spectrometric measurements of stimulated gamma rays compared to the energy range of spectrometry of characteristic gamma rays during the differentiation of shielded actinides. The energy range of gamma rays from 1000 to 3000 keV was determined, which can be considered optimal for the spectrometry of stimulated gamma rays from shielded actinides during their differentiation.

BWO-BiLSTM & CNN composite model for prediction of atmospheric particulate matter mass concentration

Accurate prediction of the mass concentration of atmospheric particulate matter is of great significance for the rational formulation of atmospheric environment management strategies and the study of the spatial and temporal evolution of atmospheric pollutants. In order to solve the problems of low prediction accuracy and low efficiency of traditional prediction models, aiming at the nonlinear and stochastic characteristics of atmospheric particulate matter mass concentration changes, a composite prediction model based on Random Forest (RF) feature selection, Beluga Whale Optimization (BWO) algorithm, Convolutional Neural Network (CNN) and Bidirectional Long and Short-Term Storage Memory Neural Network (BiLSTM) is proposed in this paper. In this composite prediction model, the input variables are adjusted and screened through RF algorithm to reduce the network complexity. The weights and thresholds of CNN-BiLSTM are optimized using BWO to improve the prediction accuracy of the model. The publicly mass concentration data and Aerodynamic Particle Size Spectrometer (APS) measurements are used to train and compare with the predicted data. The experimental results indicate that this composite model has better prediction performance and prediction accuracy compared with the traditional single and the combined model. The fitting coefficient (R2) of PM2.5 prediction using publicly data and APS data can reach 0.8842 and 0.9762, respectively. The R2 for the prediction of PM10 using publicly data and APS data can reach 0.8635 and 0.976, respectively. It indicates that the model proposed in this paper has better generalization and robustness.

Visible core spectroscopy at Wendelstein 7-X.

This paper presents an overview of recent hardware extensions and data analysis developments to the Wendelstein 7-X visible core spectroscopy systems. These include upgrades to prepare the in-vessel components for long-pulse operation, nine additional spectrometers, a new line of sight array for passive spectroscopy, and a coherence imaging charge exchange spectroscopy diagnostic. Progress in data analysis includes ion temperatures and densities from multiple impurity species, a statistical comparison with x-ray crystal spectrometer measurements, neutral density measurements from thermal passive Balmer-alpha emission, and a Bayesian analysis of active hydrogen emission, which is able to infer electron density and main ion temperature profiles.

Simulation Study of Crystalline Al2O3 Thin Films Prepared at Low Temperatures: Effect of Deposition Temperature and Biasing Voltage

In this paper, classical molecular dynamics simulations were used to explore the impact of deposition temperature and bias voltage on the growth of Al2O3 thin films through magnetron sputtering. Ion energy distributions were derived from plasma mass spectrometer measurements. The fluxes of deposited particles (Ar+, Al+, and O−) were categorized into low, medium, and high energies, and the results show that the films are dominated by amorphous Al2O3 at low incident energies without applying bias. As the deposition temperature increased, the crystallinity of the films also increased, with the crystals predominantly consisting of γ-Al2O3. The crystal content of the deposited films increased when biased with −20 V compared to when no bias was applied. Crystalline films were successfully obtained at a deposition temperature of 773 K with a −20 V bias. When biased with −40 V, crystals could be obtained at a lower deposition temperature of 573 K. Increasing the bias enables the particles to have higher energy to overcome the nucleation barrier of the crystallization process, leading to a greater degree of film crystallization. At this stage, the average bond length between Al-O is measured to be approximately 1.89 Å to 1.91 Å, closely resembling that of the crystal.

Tungsten Molecular Species in Deuterium Plasmas in Contact with Sputtered W Surfaces.

We show that in plasmas generated in deuterium in the presence of sputtered W surfaces, various molecular tungsten species are formed, whose chemical composition depends on the presence of gaseous impurities, namely, nitrogen, oxygen, and hydrogen. A magnetron discharge was used for plasma sustaining, and the species were investigated by mass spectrometry and optical emission spectroscopy. The identified tungsten-containing molecules are described by the chemical formula WOxNyDzHt, where x = 0-4, y = 0-3, z = 0-3, t = 0-5. Presumptively, even higher mass tungsten molecular species are present in plasma, which were not detected because of the limitation of the spectrometer measurement range to 300 amu. The presence of these molecules will likely impact the W particle balance and dust formation mechanisms in fusion plasmas.

Estimation of botanical composition of forage crops using laboratory-based hyperspectral imaging and near-infrared spectrometer measurements

Harvested forage is the main raw feed for ruminant animals in Sweden, and is commonly cultivated in mixed stands of legume and grass species. The fraction of legume on a dry matter basis, known as botanical composition (BC) is a very important indicator of forage quality. In this study, hyperspectral imaging and near-infrared spectrometer (NIRS) based methods were used to estimate BC, to overcome the shortcomings of hand separation, which is time and resource consuming. Timothy and red clover mix samples were collected from different harvests in 2017–2019 from multiple sites in Northern Sweden and hand separated. The samples were synthetically mixed to 11 different BC levels, i.e., 0–100 % clover content. Two different instruments (Specim shortwave infrared (SWIR) hyperspectral imaging system and Foss 6500 spectrometer) were used to collect spectral data of samples milled to two levels of coarseness. Three different regression analyses: partial least squares regression (PLSR), support vector regression (SVR) and random forest regression (RFR), were used to build BC estimation models. The effects of the milling particle sizes and the different instruments on the performances of the models were compared. The data from second harvest in 2019 were used for independent validation as evaluation, and the rest of data were randomly split for model calibration (75 %) and validation (25 %). The models were iteratively run 1000 times with different splits, to check the effect from the splitting of calibration and validation datasets. Among different regression analyses, PLSR performed best, with mean Nash-Sutcliffe efficiency (NSE) for model evaluation from 0.76 to 0.87, varying for different instruments and milling sizes. Finer milling made the model accuracies slightly higher. This study developed quick and robust methods to determine the BC of timothy grass and red clover mixtures, which can provide useful information for farmers or researchers.