Miracle-dz/UniFAR-FTUs huggingface dataset:
The morphology of calaverite (AuTe2) from data of 1931. Solution of an old problem of rational indices

The anomalous high-index faces (hkl) of the mineral calaverite (Au1 - xAgxTe2) measured goniometrically in the year 1931 by Goldschmidt, Palache & Peacock [Neues Jahrb. Mineral (1931), 63, 1-58] are re-interpreted and related to the wave vector q of the displacive incommensurate modulation which was recently found in the crystal structure. All crystal faces (including the high-index ones) can be given four low indices (hklm), using q as a fourth basis vector. From this an almost hundred-year-old anomaly in crystal morphology is in principle solved.
Effects of Chemical Treatments on Ultra-High-Yield Pulping. VII. Variation of Aspen CMP Fractions in Lignin Modification

Chemical analyses of aspen percarbonate and sulfite chemimechanical pulp fractions indicated that the middle lamella lignin is more reactive than the cell wall lignin toward sulfonation and oxidation reactions. It appears that the extent of lignin modification was significantly reduced by the presence of syringyl units because of their relatively low content in phenolic hydroxyl groups.
Hydrochloric acid (0.1M) and dtpa extractable and total iron and manganese in basaltic soil profiles of the Nigerian savanna

Abstract The contents of 0.1 M HCl and DTPA extractable and total iron (Fe) and manganese (Mn) were determined in soil profiles developed on four groups of basaltic parent materials, namely, the Newer‐, Older‐, Lateritized‐Older‐, and Biu‐basalts. HCl‐and DTPA‐extractable and total Fe in the soils ranged from 15.0 to 66.3 mg/kg, 1.1 to 26. 7 mg/kg, and 4.50 to 10.50%, respectively, with corresponding means of 37.5 mg/kg, 9.5 mg/kg, and 7.33%. The corresponding forms of Mn ranged from 1.1 to 89.0 (mean, 39.8) mg/kg, 0.3 to 114.7 (mean, 24.3) mg/kg and 34 to 1010 (mean, 346) mg/kg, respectively. The soils were high in total Fe and Mn and sufficient in the available forms (HCl‐and DTPA‐extractable forms). Total Fe and Mn were neither related to the available forms or to soil properties tested. The available forms were, however, related one with another and largely associated with organic matter.
Flotation of Inherently Hydrophobic Particles in Aqueous Solutions of Inorganic Electrolytes

The flotation of graphite particles in aqueous solutions of inorganic electrolytes was shown to depend on both the nature of the cation/anion pair and the range of the bubble/particle electrostatic interaction. For several electrolytes, as the reduction in the Debye length of the solution approached the decay length of the hydrophobic attraction, then flotation began to occur. Also using earlier reported data, it was possible to relate the flotation to surface tension/electrolyte concentration gradients and bubble coalescence behavior of the different electrolyte solutions. Higher flotation recoveries were attributed to an increased collision probability between the graphite particles, a higher concentration of small noncoalescing bubbles, and an increased stability of the froth. Furthermore, it has also been shown from previous studies that increasing electrolyte concentration causes a decrease in gas solubility. In fact, gas solubility has been shown to be dependent on the hydration entropy of the catio.
Uma classificação físico-hídrica dos solos

A soil classification system is proposed, based on the aeration and hydration capacities of profiles. Hydration is measured by the available water (field capacity minus wilting point), and aeration evaluated by the connection of available air (total porosity minus field capacity) values and steady state infiltration rate. On this basis, 10 soil orders and 28 soil classes are defined. Input variables are: density of solids, bulk density, porosity, field capacity, wilting point, and steady state infiltration rate. The classification is based on strictly numerical criteria, and there are no components of subjective evaluation. The nine principal orders, containing three classes each, are: aerated-aquiferous soils (I); aerated-mesaquiferous soils (II); mesaerated-aquiferous soils (III); mesaerated-mesaquiferous soils (IV); aerated-aquicludeous soils (V); mesaerated-aquicludeous soils (VI); unaerated-aquiferous soils (VII); unaerated-mesaquiferous soils (VIII); unaerated-aquicludeous soils (IX). One last order is possible (order X): the flooded soil order, with only one class. The methodology is applied by selecting soils from literature with varying textural classes, from sands to very fine clayey soils. It is demonstrated that there is no direct relation between the textural class and the soil system class or order. It is suggested that the methodology could also be utilized as a tool for soil management or for the evaluation of agricultural capability of lands where other information (meteorological, phythological, topographic, and management level) is included. Furthermore, the methodology contains useful information for irrigation system projects.
Nanomaterials for Heterogeneous Combustion

Nanophase materials and nanocomposites, characterized by an ultra fine grain size (less than 100 nm) have attracted wide spread interest in recent years by virtue of their unusual mechanical, electrical, optical, magnetic, and energetic properties. Studies have shown that the thermal behavior of nano-scaled materials is quite different from micron-sized powders. Nanosized metallic and explosive powders have been used as solid propellant and explosive mixtures to increase efficiency. At the same time recent studies reveal that the presence of nanosized metals in propellants does not necessary translate into an increased burning rate and burning temperature. The reasons of this effect are far from being clear. This paper presents a new approach to the production of nanocomposites of some energetic materials – ammonium nitrite, cyclotrimethylene trinitramine (RDX), and aluminum – by the vacuum co-deposition technique. The thermal behavior of the synthesized nanopowder and nanocomposites is investigated. A substantial difference in burning rate of RDX nanopowder has been found in comparison to micron-sized material. Experimental results allow investigating the effects of nanosized materials on the combustion characteristics.
In situ neutron diffraction studies of martensitic transformations in NiTi

Martensitic transformations in commercial near equiatomic Ni49.5Ti (at. %) polycrystalline thick wires induced by thermal and/or mechanical loading were investigated by in-situ high-resolution neutron powder diffraction techniques with the aim to develop neutron diffraction methods of stress and phases fraction evaluation in NiTi transforming in thermomechanical loads.
Influence of carbon black on decompression failure and hydrogen permeation properties of filled ethylene-propylene–diene–methylene rubbers exposed to high-pressure hydrogen gas

Eight carbon black (CB)-filled ethylene–propylene–diene–methylene linkage (EPDM) rubbers were manufactured by varying the content and type of CB. Then, the relationship among crack damage caused by high-pressure hydrogen decompression, the hydrogen permeation properties, and the mechanical properties of the rubbers was investigated. The hydrogen gas permeability of the rubbers decreased with an increase in the CB content and depended little on primary particle size. In contrast, the hydrogen gas diffusivity and solubility depended on both the CB content and primary particle size, that is, the hydrogen gas diffusivity decreased with an increase in the CB content and a decrease in the primary particle size, and the hydrogen gas solubility increased with an increase in the CB content and a decrease in the primary particle size. As for the mechanical properties, the CB-filled rubbers were more strongly reinforced by an increase in the CB content and a decrease in the primary particle size. The crack damage by high-pressure hydrogen decompression became larger as the ratio of the hydrogen gas solubility to estimated internal pressure at crack initiation relating to the mechanical properties became larger. As a smaller CB particle increases the hydrogen gas solubility of EPDM rubbers, while at the same time it reinforces the rubbers, the crack damage in the CB-filled rubbers was not influenced by the primary particle size. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Comparison of Transflectance and Reflectance to Analyse Hog Manures

In this study, the reflectance and transflectance sample presentation mode were compared for the analysis of the nutrient content of hog (Sus domesticus) manure using visible and near infrared (vis-NIR) spectroscopy. A total of 194 hog manures, which were collected in the spring of 2004 from farms in the northern part of Belgium, were assayed by conventional wet chemical analysis and spectroscopy for the following constituents: dry matter content (DM), organic matter content (OM), pH, total Kjeldahl nitrogen (Ntot), ammonium nitrogen (NH4-N), phosphorus (P), potash (K), calcium (Ca), sodium (Na) and magnesium (Mg). Samples were scanned with a Foss NIRSystems Model 6500 scanning monochromator in reflectance and transflectance mode, respectively. A ceramic reference was measured in between the two modes. The monochromator was equipped with a DCFA sample presentation unit and ranges from 400 to 2498 nm. Partial least squares regression was employed to relate the spectral information to the nutrient content. The PLS models were calibrated for both sample presentation modes using leave-one-out cross-validation. The results of this study showed that the transflectance mode performed better than the reflectance mode. From the transflectance measurements, very good quantitative predictions for total N, good quantitative predictions for K, DM and OM, approximate predictions for NH4-N, P and Mg, very approximate predictions for Ca and a discrimination between high and low values for Na were obtained. pH was not predictable. The reflectance measurements were able to provide good quantitative predictions for total N and K, approximate quantitative predictions for NH4-N, very approximate predictions for DM, OM, P and Mg and discrimination between high and low values for Ca. Na was even less predictable and pH might be unpredictable.
The Temperature Dependence of the Properties of Electrolyte Solutions. IV. Determination of Cationic Transference Numbers in Methanol, Ethanol, Propanol, and Acetonitrile at Various Temperatures

Cationic transference numbers and conductance data of KSCN and Me4NSCN in methanol (-15°C to + 25°C), KSCN in ethanol (-5°C to + 25°C) and propanol (+ 10°C and +25°C), Me4NClO4 and Et4NClO4 in acetonitrile (-35°C to +25°C) were determined at electrolyte concentrations from 10−3 to 10−2 mol · kg−1. The transference numbers obtained by a moving boundary method were corrected for the changes of the calibration volume resulting from anodic reactions, conductance of the solvent and Joule heating. The data are discussed on the basis of transport equations which take into account short range interactions in the ion distribution functions.
Theoretical modeling of heating and structure alterations in cartilage under laser radiation with regard to water evaporation and diffusion dominance

We develop a theoretical model to calculate the temperature field and the size of modified structure area in cartilaginous tissue. The model incorporates both thermal and mass transfer in a tissue regarding bulk absorption of laser radiation, water evaporation from a surface and temperature dependence of diffusion coefficient. It is proposed that due to bound- to free-phase transition of water in cartilage heated to about 70 degrees Celsius, some parts of cartilage matrix (proteoglycan units) became more mobile. The movement of these units takes place only when temperature exceed 70 degrees Celsius and results in alteration of tissue structure (denaturation). It is shown that (1) the maximal temperature is reached not on the surface irradiated at some distance from the surface; (2) surface temperature reaches a plateau quicker that the maximal temperature; (3) the depth of denatured area strongly depends on laser fluence and wavelength, exposure time and thickness of cartilage. The model allows to predict and control temperature and depth of structure alterations in the course of laser reshaping and treatment of cartilage.
Persulfate digestion and simultaneous colorimetric analysis of carbon and nitrogen in soil extracts

Persulfate digestions have been used for analyzing dissolved organic carbon (DOC) and nitrogen (DON), but most existing methods do not simultaneously analyze the same digest. Persulfate oxidizes DON to NO - 3, and DOC to CO 2 , which was trapped in the alkaline digest solution. We optimized the persulfate digestion for simultaneous analysis of dissolved CO 2 and NO - 3 with flow injection analysis (FIA). Dissolved CO 2 was diffused across a Gore-Tex (W.L. Gore & Associates, Inc., Sunnyvale, CA) membrane and analyzed with a pH indicator, while NO3 was analyzed with a standard Griess-Ilosvay reaction after Cd reduction. Digestions of glycine, urea, and yeast extract solutions recovered 97 to 99% of C and 92 to 96% of N, while digestions of lysine and nicotinimide recovered slightly less (93 to 94% C, 87 to 93% N). Glycine N, used as a digested standard to which sample recoveries were scaled, improved calculated recovery 94 to 103%. Dissolved organic C concentrations were not significantly different for persulfate oxidation (PO) and high temperature catalytic oxidation (HTCO) for 13 organic and mineral soil extracts with and without prior chloroform fumigation. Nitrogen recovery was higher for PO than HTCO. The DOC blanks were 0.5 to 1.0 mg C L -1 and detection limit was 0.5 mg C L -1, and both could be lowered if needed. The upper limit of analysis was at least 2000 mg C L -1 with dilution. The digest was performed at temperatures as low as 80°C or as high as 125°C with equivalent results. We recommend the low temperature to reduce leakage. This analytical system is particularly convenient for the simultaneous analysis of microbial biomass C and N with the fumigation-extraction procedure.
Kinetic Model for Solid‐State Reactions

A model for solid‐solid or solid‐gas reactions between spherical particles and a fine powder or gas has been developed. The oxidation of uniformly sized nickel spheres has been shown to fit this model to 100% reaction. Previously reported models are inadequate because they do not meet the boundary conditions set down and because the volume of the product was assumed to equal that of one of the reactants. The inadequacy of earlier experimental results has been explained by the failure to experimentally meet the boundary conditions imposed.
Ionic liquid modified graphene nanosheets anchoring manganese oxide nanoparticles as efficient electrocatalysts for Zn–air batteries

Ionic liquid (IL) modified reduced graphene oxide (rGO–IL) nanosheets anchoring manganese oxide (Mn3O4) are synthesized via a facile solution-based growth mechanism and applied to a Zn–air battery as an effective electrocatalyst for the oxygen reduction reaction (ORR). In this study, the IL moiety in these composites increases not only the conductivity of the system, but also the electrocatalytic activity compared to pristine rGO, together with the synergic effect of facilitating the ORR with the intrinsic catalytic activity of Mn3O4. Based on the Koutecky–Levich plot, we suggest that the ORR pathway of these composites is tunable with the relative amount of Mn3O4 nanoparticles supported onto the graphene sheets; for example, the ORR mechanism of the system with a lower Mn3O4 (19.2%) nanoparticle content is similar to a Pt/C electrode, i.e., a one-step, quasi-4-electron transfer, unlike that with a higher Mn3O4 (52.5%) content, which undergoes a classical two-step, 2-electron pathway. We also demonstrate the potential of these hybrid rGO–IL/Mn3O4 nanoparticles as efficient catalysts for the ORR in the Zn–air battery with a maximum peak power density of 120 mW cm−2; a higher performance than that from commercial cathode catalysts.
Slow dielectric relaxation of a styrene-isoprene-styrene triblock copolymer with dipole inversion in the middle block : a challenge to a loop/bridge problem

Dielectric behavior was investigated for lamellar-forming polystyrene-polyisoprene-polystyrene (PS-PI-PS) triblock and PS-PI diblock copolymers, the latter being identical to the half-contour of the former. The end PI block of PS-PI had type-A dipoles parallel in the same direction along its contour, while the middle PI block of PS-PI-PS had type-A dipoles inverted at its center. Those type-A dipoles enabled us to dielectrically observe the global motion of the PI blocks connected to the glassy PS domains. The dipole inversion was an absolute requirement for this observation for the middle PI blocks having a fixed end-to-end vector R : For the middle blocks without the inversion, the polarization (R) does not fluctuate and the global motion is dielectrically inert. The end PI block of PS-PI took only a tail conformation, while the middle PI block of PS-PI-PS took either a loop or a bridge conformation. For evaluation of the bridge fraction for the latter, dielectric loss (e) curves were compared for the end and middle PI blocks before and after imposition of a large-amplitude (γ 0 ) oscillatory shear, and the shear effects on the viscoelastic properties and lamellar alignment were also examined. Before the large-γ 0 shear, the end and middle PI blocks exhibited nearly the same dielectric relaxation mode distribution at long time scales but the relaxation intensity was larger for the former by a factor λ v = 1.7. An argument of similarity of behavior of the tail and loop led us to assign the slow relaxation of the middle block to the loop relaxation, giving an estimate for the bridge fraction φ bridge ≃(λ v - 1)/λ v ≃40%. Equilibrium theories successfully explained this φ bridge value. For PS-PI the large-γ 0 shear significantly decreased the viscoelastic moduli, improved the lamellar alignment a little, but hardly affected the dielectric behavior. On the other hand, for PS-PI-PS the shear hardly affected the moduli and lamellar alignment but increased the dielectric relaxation intensity at long time scales. These differences between PS-PI and PS-PI-PS suggested that the shear decreased φ bridge for the latter because it preferred the PS-PI-PS loop generating smaller stress as compared to the PS-PI-PS bridge. Thus, the observed shear effects were in harmony with the above assignment for the slow relaxation of the middle block.
Spin-fluctuation theory of FeSi

The temperature dependence of the magnetic susceptibility of FeSi is calculated over a wide temperature range on the basis of spin-fluctuation theory applied to a model of an exchange-enhanced semiconductor. We can reproduce the low-temperature activation-type behaviour of the susceptibility as well as the Curie - Weiss behaviour observed at high temperature. We also give an explanation for the behaviour of the observed wave-vector- and frequency-dependent neutron scattering intensities.
Lattice energy and phase transition of alkaline earth chalcogenide

In this study, we have investigated the high-pressure structural phase transition of alkaline earth's chalcogenides within the framework of three-body potentials. We are considering short-range repulsive interactions up to the second nearest neighbors. The structural phase transition from the low-pressure NaCl (B1) to the high-pressure CsCl (B2) structure is estimated by Gibbs free energy calculations. The results are satisfactory and in agreement with the available experimental and other theoretical results.
A molecular dynamics study of the translational and rotational motions in an aqueous LiI solution

The spectral densities of the hindered translations and librations for the ions and the water molecules in a 2.2 m LiI solution have been derived from an MD simulation with the ST2 model for water. The reorientational times of the dipole moment vector, the intramolecular proton–proton vector as well as the ion–oxygen and ion–hydrogen vectors are also reported. The separate calculation of various properties for the three water subsystems—hydration water of the cation, of the anion and bulk water—contributes significantly to the understanding of macroscopically measured quantities on a molecular level.
EFFECTS OF VARIOUS CROP LOADS AND LEAF FERTILIZER ON GRAPEVINE YIELD AND QUALITY

Crop loads and leaf fertilizers are highly important for yield and quality of grapevine. This research was conducted in the Konya province of Turkey in 2008 and 2009. The effects of crop loads and leaf fertilizers were investigated on yield and quality of Vitis vinifera L. cv. ‘Gök üzüm’. The combined leaf fertilizer (TARİŞ-ZF) significantly increased quality parameters such as berry length, berry weight, maturity index, juice yield and drying index of grapevine. Increasing crop load values (16, 21, and 26 buds/vine) increased fresh grape yield and juice yield; however, maturity index and drying index decreased in comparison to the control. According to these results, it was suggested that to produce a high yield 26 buds/vine pruning and non-fertilization could be utilized or to increase quality parameters 16 buds/vine pruning, and fertilization may be applied on grapevine cultivation.
Variation of the MnO2 Birnessite Structure upon Charge/Discharge in an Electrochemical Supercapacitor Electrode in Aqueous Na2SO4 Electrolyte

This paper provides new insight on the charge storage mechanism in crystallized Mg-doped sodium birnessite-type manganese dioxide used as active supercapacitor electrode material that involves the intercalation/deintercalation of cations between the sheets during electrochemical reduction/oxidation, respectively. An increase of the interlayer spacing from 0.710 to 0.720 nm upon electrochemical oxidation in the presence of Na+ cations in the electrolyte is associated with the deintercalation of Na+ and the intercalation of H2O between the layers. A progressive crystallinity loss of the material is also observed upon potential cycling between the oxidized and reduced states. Despite these structural changes, the birnessite electrode exhibits a stable capacitance of 145 F/g over 1100 cycles.
Comparison of Probability Distribution Functions for Fitting Distillation Curves of Petroleum

The fitting capability of 25 probability distribution functions for distillation data of petroleum fractions was analyzed in this work. Rankings of all the functions based on two different approaches were established after a statistical analysis of the fit of the functions with a data set of 137 distillation curves. In general, distribution functions with four parameters showed better fitting capability than those with three parameters. Two-parameter functions were not effective in fitting distillation data. The Weibull extreme, Kumaraswamy, and Weibull functions were found to be the best distribution functions for fitting distillation data considering their ranking and the required CPU time. These distribution functions exhibited the lowest Akaike information criterion and Bayesian information criterion average values, standard deviations lower than 1%, correlation coefficients higher than 0.999, and residuals randomly distributed without any tendency. The fitting capability of the best functions was val.