Miracle-dz/UniFAR-FTUs huggingface dataset:
Laser annealing of textured thin film cathode material for lithium ion batteries

The material development for advanced lithium ion batteries plays an important role in future mobile applications and energy storage systems. It is assumed that electrode materials made of nano-composited materials will improve battery lifetime and will lead to an enhancement of lithium diffusion and thus improve battery capacity and cyclability. Lithium cobalt oxide (LiCoO2) is commonly used as a cathode material. Thin films of this electrode material were synthesized by non-reactive r.f. magnetron sputtering of LiCoO2 targets on silicon or stainless steel substrates. For the formation of the high temperature phase of LiCoO2 (HT-LiCoO2), which exhibits good electrochemical performance with a specific capacity of 140 mAh/g and high capacity retention, a subsequent annealing treatment is necessary. For this purpose laser annealing of thin film LiCoO2 was investigated in detail and compared to conventional furnace annealing. A high power diode laser system operating at a wavelength of 940 nm with an integrated pyrometer for temperature control was used. Different temperatures (between 200°C and 700°C) for the laser structured and unstructured thin films were applied. The effects of laser treatment on the LiCoO2 thin films studied with Raman spectroscopy, X-ray photoelectron spectroscopy and X-ray diffraction to determine their stoichiometry and crystallinity. The development of HT-LiCoO2 and also the formation of a Co3O4 phase were discussed. The electrochemical properties of the manufactured films were investigated via electrochemical cycling against a lithium anode.
Rearranged sterenes in a shale: occurrence and simulated formation

The lipids extracted from a bituminous shale contained (20R)- and (20S)-5β,14β-dimethyl-18, 19-dinor-8α,9β,10α-cholest-13(17)-enes [(I) and (II); R = H]. Also present were homologues carrying nuclear methyl groups and variously alkylated side chains.Cholestanol has been treated under chemical and mineralogical conditions to yield these backbone-rearranged products. The value of these reactions as simulators of geological diagenesis, and the utility of these sterenes as biological markers in the geological environment is discussed.
Structural characterization of zeolite beta

Crystallographic faulting in zeolite structures affects both the catalytic and sorption properties, and can greatly complicate attempts at structural characterization. A near extreme example of stacking disorder is provided by zeolite beta, a large pore, high-silica zeolite that was first reported in 1967. We describe here the determination of the framework structure of zeolite beta, using primarily high-resolution electron microscopy, electron diffraction, computer-assisted modelling and powder X-ray diffraction. Zeolite beta can be regarded as a highly intergrown hybrid of two distinct, but closely related structures that both have fully three-dimensional pore systems with 12-rings as the minimum constricting apertures. One end member, polymorph A, forms an enantiomorphic pair, space group symmetries P4122 and P4322, with a = 1.25 nm, c = 2.66 nm. Polymorph B is achiral, space group C2/c with a = 1.76 nm, b = 1.78 nm, c = 1.44 nm, β = 114.5°. Both structures are constructed from the same centrosymmetric tertiary building unit (TBU), arranged in layers that, successively, interconnect in either a left- (L) or a right- (R) handed fashion. Polymorph A represents an uninterrupted sequence of RRRR. (or LLLL.) stacking. Polymorph B has an alternating RLRL. stacking sequence. The TBU has no intrinsic preference for either mode of connection, enabling both to occur with almost equal probability in zeolite beta, giving rise to a near random extent of interplanar stacking faults and, to a lesser extent, intraplanar defects terminated by hydroxyl groups. The faulting does not significantly affect the accessible pore volume, but influences the tortuosity of the pore connectivity along the c direction. The high stacking fault densities give rise to complex powder X-ray diffraction (PXD) patterns for zeolite beta materials that comprise both sharp and broad features. By exploiting recursive relations between possible stacking sequences, PXD patterns have been calculated as a function of faulting probability. Reasonable agreement with observed PXD profiles is observed for a ca. 60% faulting probability in the chiral stacking sequence, suggesting a slight preference for polymorph B. The framework building units observed in zeolite beta can also be used to construct other frameworks.
Structural Uniformity of Toluene-Insolubles from Heat-Treated Coal Tar Pitch As Determined by Solid State 13C NMR Spectroscopy

A suite of coal tar pitches (CTPs) thermally treated to varying degrees and their toluene-insoluble (TI) fractions have been characterized by solid state 13C nuclear magnetic resonance (NMR). The nonprotonated aromatic carbon concentrations estimated from dipolar dephasing experiments using cross polarization with a relatively long contact time (5 ms) and the quantitatively reliable single-pulse excitation (SPE) technique were in good agreement and these concentrations were used to deduce the average ring sizes. Complementary information has been obtained from X-ray diffraction and thermogravimetry analysis. An increase in the degree of condensation for the aromatic structure was evident for the whole pitches upon heat treatment, consistent with the increasing concentrations of TIs and published liquid chromatographic results on the toluene-soluble fractions. In contrast, the proportions of nonprotonated and bridgehead/internal aromatic carbons remained constant over the heat treatment range for the TIs, .
Synthesis and characterization of polyetherimides containing multiple ether linkages and pendent pentadecyl chains

4-(4-(4-(4-Aminophenoxy)-2-pentadecylphenoxy)phenoxy)aniline (APPPA) was synthesized starting from cashew nut shell liquid-derived bisphenol, i.e. 4-(4-hydroxyphenoxy)-3-pentadecylphenol, by nucleophilic substitution reaction with 4-chloronitrobenzene followed by reduction of the formed 4-(4-nitrophenoxy)-1-(4-(4-nitrophenoxy)phenoxy)-2-pentadecylbenzene. Three new polyetherimides containing multiple ether linkages and pendent pentadecyl chains were synthesized by one-step high-temperature solution polycondensation of APPPA in m-cresol with three aromatic dianhydrides, i.e. 3,3′,4,4′-oxydiphthalic anhydride, 4,4′-(hexafluoroisopropylidene)diphthalic anhydride and 3,3′,4,4′-biphenyltetracarboxylic dianhydride. Inherent viscosities and number-average molecular weights of the polyetherimides were in the ranges 0.66–0.70 dL g−1 and 17 100–29 700 g mol−1 (gel permeation chromatography, polystyrene standards), respectively, indicating the formation of reasonably high molecular weight polymers. The polyetherimides were soluble in organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol, N,N-dimethylformamide, N,N-dimethylacetamide, N-methylpyrrolidone and dimethylsulfoxide, and could be cast into transparent, flexible and tough films from their solutions in chloroform. The polyetherimides exhibited glass transition temperatures (Tg) in the range 113–131 °C. The lowering of Tg could be attributed to the combined influence of flexibilizing ether linkages and pentadecyl chains which act as ‘packing-disruptive’ groups. The temperature at 10% weight loss (T10), determined from thermogravimetric analysis in nitrogen atmosphere, was in the range 460–470 °C demonstrating good thermal stability. The virtues of solubility and large gap between Tg and T10 mean that the polyetherimides containing pendent pentadecyl chains have possibilities for both solution as well as melt processability. © 2015 Society of Chemical Industry
The Effect of Different Amounts of Vacuum Applied During Sealing on Consumer Acceptance of Beef Gluteus Medius (Top Sirloin)

Samples of beef gluteus medius muscle (top sirloin) were sealed at three different levels of vacuum (minimal, medium, and high) and cooked sous vide to 56°C. There was no difference in cooking losses or juice pH due to the amount of vacuum applied during sealing. There were, however, significant differences in sensory properties as assessed by an 88-member consumer sensory panel. Applying vacuum increased the perception of juiciness, tenderness, beef flavor intensity, and liking of the beef compared with minimal vacuum. There were few differences between medium and high vacuum samples, though high vacuum samples had slightly more beef flavor intensity. Perception of juiciness was not correlated to retention of more juice, suggesting some other aspect of the vacuum sealing process affects this important parameter in beef gluteus medius muscle.
On Euler-homogeneity for free divisors

In 2002, it was conjectured that a free divisor satisfying the so-called Logarithmic Comparison Theorem must be strongly Euler-homogeneous and it was proved for the two-dimensional case. Later, in 2006, it was shown that the conjecture is also true in dimension three, but, today, the answer for the general case remains unknown. In this paper, we use the decomposition of a singular derivation as the sum of a semisimple and a topologically nilpotent derivation that commute in order to deal with this problem. By showing that this decomposition preserves the property of being logarithmic, we are able to give alternative proofs for the low-dimensional known cases.
Ostwald ripening theory

The Ostwald-ripening theory is deduced and discussed starting from the fundamental principles such as Ising model concept, Mayer cluster expansion, Langer condensation point theory, Ginzburg-Landau free energy, Stillinger cutoff-pair potential, LSW-theory and MLSW-theory. Mathematical intricacies are reduced to an understanding version. Comparison of selected works, from 1949 to 1984, on solution of diffusion equation with and without sink/sources term(s) is presented. Kahlweit's 1980 work and Marqusee-Ross' 1954 work are more emphasized. Odijk and Lekkerkerker's 1985 work on rodlike macromolecules is introduced in order to simulate interested investigators.
Investigations of the cathode region of an argon arc plasma by degenerate four-wave mixing laser spectroscopy and optical emission spectroscopy

Degenerate four-wave mixing (DFWM) laser spectroscopy was used in local studies of atmospheric pressure argon plasma generated in a free-burning arc. The results of plasma diagnostics using the DFWM method were compared to the results obtained with optical emission measurements. In the cathode region of the arc the maxima of both the DFWM signal and the emission coefficient for the 696.5 nm Ar I line depend on the distance from the cathode tip. This effect proves the departure of the plasma state from local thermal equilibrium (LTE) as it has been reported by many authors. On the other hand the Stark shifts of the 696.5 nm Ar I line determined by the DFWM method in relation to plasma diagnostic results show no deviations from LTE on the arc axis down to 1.0 mm from the cathode tip.
Long-Term Application of Chemical Fertilizers and Rice Straw on Soil Aluminum Toxicity

The red soil region in China is very important to agriculture. However, soil aluminum (Al) toxicity often occurs as a result of the high soil acidity. In a long-term experiment, we analyzed soil samples to determine the effect of fertilization on soil acidity and potential Al toxicity. The results showed that after 12 years of utilization, Al toxicity occurred in the soil of the control plot. Chemical fertilizer further decreased soil pH and intensified Al toxicity. However, rice straw effectively improved soil pH and ameliorated soil Al toxicity from 0 to 50 cm deep, which may be attributed to the accumulated soil organic matter (SOM) and the decomposition of the rice straw. Corresponding to the lower Al content in soil, peanut crops grew healthier with greater yields in the rice straw plot, indicating that returning crop stalks to the field should be a feasible fertilization strategy in the region.
High pressure copolymerisation of maleic anhydride with cyclic olefins and substituted ethylenes

The pressure effect on the rate of maleic anhydride copolymerisations with various substituted ethylenes was found to be considerable, leading to high negative values of the activation volume, especially when the comonomer is crowded with bulky substituents. No significant variation of the polymer composition was observed and the reactivity ratios were found to be less affected by pressure than rates and generally decrease slightly with increasing pressure. Pressure influences also the e-value of the monomers.
Characteristics of p-type PtSi Schottky diodes under reverse bias

The characteristics of p‐type PtSi Schottky diodes are determined under reverse bias at cryogenic temperatures. Zero‐bias and flat‐band barrier heights of 0.242 and 0.263 eV, respectively, are evaluated from the data. In addition, the observed lack of excess barrier lowering (other than the image force lowering) is discussed. This excess barrier lowering has previously been postulated to arise from the penetration of the tail end of the metal wave function into the midgap of the semiconductor. Reverse activation analysis is reported for 30 Schottky diodes and an average experimental effective Richardson constant of 45 A/cm2 K2 is determined. The difference from the theoretical value (32 A/cm2 K2) is attributed to the temperature coefficient of the barrier height. A value of 2.7×10−5 eV/K for this coefficient is obtained, which is at least one order of magnitude smaller than the variation of the bandgap of silicon. This provides further evidence that the barrier of the p‐type PtSi Schottky diode is pinned.
Local‐fields and disorder effects in free‐standing and embedded Si nanocrystallites

The case study of a 32‐atoms Si nanocrystallite (NC) embedded in a SiO2 matrix, both crystalline and amorphous, or free‐standing with different conditions of passivation and strain is analyzed through ab‐initio approaches. The Si32/SiO2 heterojunction shows a type I band offset highlighting a separation between the NC plus the interface and the matrix around. The consequence of this separation is the possibility to correctly reproduce the low energy electronic and optical properties of the composed system simply by studying the suspended NC plus interface oxygens with the appropriate strain. Moreover, through the definition of an optical absorption threshold we found that, beside the quantum confinement trend, the amorphization introduces an additional redshift that increases with increasing NC size, i.e. the gap tends faster to the bulk limit. Finally, the important changes in the calculated DFT‐RPA optical spectra upon inclusion of local fields point towards the need of a proper treatment of the optical response of the interface region.
Raman and Surface-Enhanced Raman Detection of Domoic Acid and Saxitoxin

The use of surface-enhanced Raman scattering (SERS) for detecting domoic acid and saxitoxin was demonstrated and vibrational modes have been assigned based on the current literature. Silver nanoparticles were used to obtain the SERS spectra of domoic acid for the first time, which displayed enhancement of nearly 70 times the normal Raman spectra. Unique features in the SERS spectrum of domoic acid allowed the binding effect and orientation of the domoic acid to the metal surface to be analyzed. Saxitoxin exhibited an undetectable normal Raman signal but revealed very prominent SERS peaks. SERS peak positions closely matched published experimental and theoretical values, but with different peak ratios, indicating variance in molecule–nanoparticle interaction depending on the SERS substrate utilized. SERS is demonstrated as a powerful analytical tool for detecting toxins at low concentration with molecular specificity and shows immense potential for fast and remote sensing of toxins in various applications.
Mercury throughout polar sunrise 2002

Mercury depletion events (MDEs) are now a well-known phenomenon occurring in Polar Regions during the springtime. During these MDEs gaseous elemental mercury (GEM) is chemically transformed to less volatile mercury species (operationally defined as reactive gaseous mercury (RGM) and mercury associated with particles (PM)). Various measurement techniques have been employed to measure these different mercury species. However, it is still to be established what species of mercury are being measured in the Arctic air during depletion events. A study was undertaken in the spring of 2002 at Alert, Canada to investigate several techniques for the measurement of these reactive mercury species under Arctic conditions during polar sunrise. This study compared automated GEM, manual and automated RGM and PM measurement techniques as well as a method for total atmospheric mercury. Results showed that manual and automated sampling techniques compared reasonably well. Relative differences in RGM and PM concentrations over land and over the ocean were investigated. PM concentrations were consistently higher than RGM, with the same relative abundance at both sample sites. Additionally, flux measurements were undertaken, including chamber and micrometeorological methods.
Quantifying the onset, rate and duration of sugar accumulation in berries from commercial vineyards in contrasting climates of Australia

Background and Aim: To predict the trajectory of sugar accumulation in berries for planning of harvest and post-harvest operations, we derived a simple model that is consistent with the known biological and viticultural drivers of berry ripening and requires inputs that are readily available to industry. Methods and Results: We used data from three vintages in climatically contrasting regions of Australia to derive a relationship between total soluble solids (TSS) and thermal time. A linear-plateau function was fitted to the 90th percentile data, hence providing a boundary function representing the potential for each variety-environment combination. Biologically relevant parameters were derived including the rate of change in TSS, maximum TSS (TSSmax), the threshold thermal time when berries reached TSSmax, the onset and the duration of the period of linear increase in TSS. Gaps, calculated as the difference between actual TSS and the boundary function, correlated positively with vapour pressure. A model with the observed onset of ripening as an input and a variety and site specific rate as parameter accounted for 81–92% of the variation in TSS for independent data sets. Conclusion: The trajectory of TSS in berries can be modelled ‘as if’ the main environmental and management sources of variation affect the onset rather than the rate of sugar accumulation. Significance of the Study: Our onset-rate model can be coupled with: (i) short-term temperature forecasts to predict the trajectory of TSS for management purposes; and (ii) long-term records of temperature to produce probabilistic profiles of maturity date.
Solute adjustment to salinity and calcium supply in cultivated and wild barley

Abstract Ion relations, water content, leaf water potential, and osmotic adjustment were determined for cultivated barley (cv Harrington) and wild barley grown under mixed sulphate (SO4) salts with varied calcium (Ca) supply using a hydroponic system. Salinity induced significant increases of leaf, stem and root sodium (Na) concentrations in both species. Salt‐stressed wild barley roots accumulated more Na than shoots, and transport of Na from roots to shoots was low compared to Harrington. Cultivated barley had lower Ca concentrations than wild barley, especially in the low Ca salt treatment. Although potassium (K/Na) and Ca/Na ratios were higher in control wild barley plants than in Harrington, they declined under salt stress, irrespective of Ca supply. Major osmotica in wild barley leaves were K, sugars, organic acids, and quaternary ammonium compounds, while in Harrington they were cations, including Na, K and Mg, and anions such as phosphate (PO4) and SO4. Wild barley maintained better water status t.
Assumed β-pdf Model for Turbulent Mixing: Validation and Extension to Multiple Scalar Mixing

Abstract Many engineering calculations of turbulent reacting flows employ the assumed-pdf approach. On the form of the assumed pdf, however, there has been little consensus and the choice has often been ad hoc. The objective of this work is to investigate the validity of the assumed β-pdf model for the case of the inert mixing of two scalars and extend the applicability of the model to multiple scalar mixing. By comparing the β-pdf model favorably with the two-scalar mixing data obtained from direct numerical simulations (DNS), it is demonstrated that the use of this model is justified for all stages of the mixing process in statistically-stationary, isotropic turbulence. It is also shown analytically that during the final stages of mixing the model β-pdf reduces to a Gaussian-pdf, consistent with the observations from experiments and DNS, The suggested multivariate β-pdf model for multiple-scalar mixing relates algebraically, The mean scalar concentrations and the turbulent scalar-energy—to the joint pdf.
Fractions and Availability of Nickel in Loessial Soil Amended with Sewage or Sewage Sludge

Application of sewage effluent or sewage sludge to cropland may increase Ni content in soil and plants, and affect food quality. In this study, soil and winter wheat (Triticum aestivum L.) samples from 14 sites of an area of 12 000 km 2 were collected. One selected soil was treated with sewage sludge at the rates of 0, 7.5, 15, 30, 60, 120, and 210 Mg ha -1 (0, 2.5, 5, 10, 20, 40, and 70 kg Ni ha -1 ). The soil was incubated, potted, and planted to winter wheat that was grown until harvest. All soil samples were then extracted by the DTPA method for Ni, and the soil samples were also fractionated into exchangeable (EXC), carbonate (CAB), oxide (OXD), organic (ORG), and residual (RES) fractions. Wheat parts from both field and pot studies were analyzed for Ni. With application of sewage effluent, Ni was retained in the surface soil, and was mainly present in the OXD and CAB fractions. The amendment of sewage sludge increased Ni in the OXD, CAB, and EXC fractions. Principal component analysis indicated that Ni content in the EXC fraction was an intensity factor, while Ni contents in the OXD, CAB, and ORG fractions were capacity factors, which represented a potential source of available Ni in the soils. In the field study, wheat leaves showed higher Ni concentrations than the seeds and stem. In the pot experiments, sludge application rates higher than 60 Mg ha -1 caused Ni accumulation in the wheat seeds.
Shrouded Probe Performance: Variable Flow Operation and Effect of Free Stream Turbulence

ABSTRACT Performance of a shrouded aerosol sampling probe, operated in accordance with the variable flow protocol of EPA Methods 5 and 17, was compared with its performance in a fixed flow rate mode. The effect of free stream turbulence intensity on the transmission ratio of the shrouded probe was also evaluated. Shrouded probes were developed for continuous emission monitoring of nuclear aerosols, which generally involves sampling at a constant flow rate even though the stack velocity may vary. However, this study shows that the sampling flow rate through a shrouded probe can be varied in proportion to the stack velocity, and representative samples can be obtained. This variable sampling flow rate protocol is appropriate to nonnuclear stacks and to nuclear stacks that have the potential to emit significant quantities of radioactive aerosol particles. A shrouded probe, designed for nominal conditions of 57 L/min at a stack velocity of 12 m/s was tested in a wind tunnel over a range of free stream velociti.