Miracle-dz/UniFAR-FTUs huggingface dataset:
Perspective on stresses in magnetron‐sputtered thin films

For nearly 10 years, J. A. Thornton and the present author pursued a series of investigations on a curious and initially obscure effect of intrinsic stress reversal in magnetron‐sputtered thin films. This study was first undertaken to understand the mechanical failures of decorative chromium when deposited on plastic automotive grilles. The present paper follows the evolution of these investigations in which the more than 1000 samples were mailed in small batches on a round trip between the author’s laboratory in the east and Thornton’s in the west. As the work developed it became clear that the structure‐sensitive stress reversal was a phenomenon of broad generality, which reflected subtle changes in the growth microstructures and accompanying properties of magnetron sputtered films. It was postulated that these changes resulted from particle bombardment fluxes controlled by sputtering process parameters. This review recalls various experiments that were conceived to explore mechanisms and map out the st.
Distributed approximating function theory for an arbitrary number of particles in a coordinate system-independent formalism

A general, multidimensional distributed approximating function theory is developed that applies to any system which has one possible configurational representation in Cartesian variables. That is, the configuration of the system can be expressed as a generalized N-dimensional vector which has the usual transformation properties under multidimensional rotations. In particular, the theory is applicable to a scattering system with an arbitrary number, A, of scattering centers and projectiles (atoms), for which N=3A. The approach makes possible the realization of distributed approximating functions (DAFs) in any orthogonal, curvilinear coordinates including spherical polar, cylindrical polar, and hyperspherical, as well as elliptic and parabolic coordinates
Modeling of temperature dependence of the leakage current through a hafnium silicate gate dielectric in a MOS device

The coupling between the longitudinal and transverse components of the electron thermal motion due to the difference between the effective electron mass of the hafnium silicate and silicon can explain the temperature dependence of the tunneling current through the hafnium silicate gate dielectric. By taking this coupling effect into consideration, the calculated tunneling currents under different temperatures fit well with the experimental data. The numerical calculations demonstrate that the temperature dependence of the tunneling current strongly depends on the thickness of the hafnium silicate gate dielectric. By comparing the results of the coupling effect on the tunneling current through the hafnium silicate film with those of the silicon dioxide layer, the coupling effect has been found to be more important for the case of hafnium silicate than that for the case of silicon dioxide.
Metal substitution and the active site of carbonic anhydrase

A cluster model is used to analyze the variation with metal substitution of both the coordination number at the active site of carbonic anhydrase and the proton affinity of OH - bound to the metal cation. Experimentally the native zinc and cobalt enzymes are comparably active with respect to the hydration of carbon dioxide, but the cadmium and manganese enzymes are essentially inactive
Hydroxyl Radical Oxidation Processes For The Removal Of Triazine From Natural Water

Abstract The purpose of this study was to point out processes that can provide triazine oxidation via hydroxyl radical production in a water treatment line. We focus our attention on: - oxido-flocculation, using Fe2+, H2O2 - inter-oxidation, using O3, H2O2 and eventually an heterogeneous catalyst. - disinfection, using UV, O3 and H2O2 combinations. Results show that triazines can be removed by all these processes with different efficiencies. At full scale, the O3/H2O2 process presents the best performances from an economical and technical point of view.
Boron absorption by crop plants as affected by other nutrients of the medium

Abstract Numerous reports on boron nutrition of plants have been published since WARINGTON (15), using Vicia faba, first discovered in 1923 that boron is essential for the growth of higher plants. Inorganic (7, 9, 11) and organic (1) constituents of the growth medium and climatic conditions such as light intensity (13), photoperiod (5, 16), and drying and wetting of the soil (10) are some of the factors affecting boron uptake by plants.
STR1JCTURES AND TRANSITIONS IN L)(PID MONOLA YERS AT THE AIR-WATER INTERFACE

During the past ten years, researchers have found that epifluorescence microscopy provides a convenient technique for observing molecular films at the air-water interface. This technique relies on amphiphilic fluorescent probes, which are incorporated into the molecular films at concentrations of the order of 1 mole% (1-5). In some cases, other components of the molecular films, such as protein molecules, are tagged with fluorescent labels (61 1). Epifluorescence microscopy has brought about a renaissance in physical chemical studies of molecular films; with these methods, it is now possible to visualize coexisting phases and domain structures that were previously only inferred from pressure-area isotherms, surface poten­ tials, and other techniques (12). The experimental techniques for epifluor­ escence studies of monomolecular films, which are remarkably simple, are described elsewhere ( 1-5, 1214). A surprising result of epifluorescence microscopy has been the discovery that coexisting lipid monolayer phases at the air-water interface have structures. That is, domains of one phase that are surrounded by a second assume a wide variety of sizes and shapes that depend sensitively on chemical composition, temperature, pressure, and, sometimes, low con­ centrations of "impurities. " Our laboratory has been largely concerned with developing a quantitative understanding of these structures. This
Transport of detrapped charges in thermally wet grown SiO2 electrets

The transport mechanism of detrapped charges was investigated in thermally wet grown SiO2 electrets, which were first charged by the corona method or by electron‐beam irradiation and then aged at different temperatures. The discharge and retrapping behavior was analyzed with a recently suggested method for determination of the charge centroid and charge density and by measuring open‐circuit termally stimulated discharge current spectra. Thus, the thermal activation process could be compared with the local redistribution and the decay of the trapped charges. It was found that the fast retrapping effect plays the dominant role for the released negative charge carriers. For positive charge carriers, however, this could not be confirmed. Independent of the charging polarity, it could be shown that the aging procedure resulted in a controlled shift of the charge centroid from a near surface region up to several hundred nanometers deep into the bulk of SiO2. Unexpectedly, samples treated with hexamethyldisilaza.
Biotemplated synthesis of bark-structured TiC nanowires as Pt catalyst supports with enhanced electrocatalytic activity and durability for methanol oxidation

Developing Pt eletrocatalysts with high activity and long-term durability remains a great challenge in commercializing fuel cells. Herein, we report a new kind of bark-structured TiC nanowire (NW) as an efficient support for Pt electrocatalysts, which exhibits a higher electrochemically active surface area (ECSA), much improved electrocatalytic activity and long-term durability toward a methanol oxidation reaction (MOR) when compared with commercial Pt/C (Vulcan XC-72) catalysts. The TiC NWs were synthesized via a simple biotemplating method using natural nanoporous cotton fibers as both the carbon source and the template. Their typical size is in the range of 50–150 nm in width and up to several micrometers in length. The Pt nanoparticles deposited onto the TiC NWs by a urea-assisted ethylene glycol reduction method are small (ca. 3 nm), narrowly distributed and well crystallized. The unique one-dimensional (1D) nanostructure of the TiC NWs provides fast transport and a short diffusion path for electroactive species, and a high utilization of catalysts. Moreover, the merits of TiC NWs, such as high electrical conductivity and excellent chemical/electrochemical stability also contribute to enhancing their electrocatalytic properties. The carbide support reported here will promote broader interest in the further development of Pt electrocatalysts in the fields of fuel cells and related electrocatalytic applications.
Predictions of future ozone changes

A variety of possible natural and human‐related threats to ozone have been recognized over the last few decades. Along with this recognition has come the development of numerical models of the global atmosphere and other tools to evaluate the potential importance of these threats. Numerical models of the global atmospheric chemistry and physics have been the primary tools for studies aimed at projecting possible changes to the complex processes affecting ozone. While representing the known important processes, these models also include many simplifications of the chemical and physical processes that control ozone. Comparison of the model results to measured constituent distributions (e.g., ground‐based, satellite, and aircraft instruments), along with analyses of past natural or human‐related ozone perturbing events and variations (e.g. solar variability, volcanic eruptions, the atmospheric nuclear tests) is useful in evaluating these models for use in predictive studies. These models are currently applie.
Running Head: Résumé photograph and personality

Given the importance of personality to predict consequential outcomes in the workplace, it is important to be able to measure it accurately. To date, no research has examined if people leave valid cues of their personality in résumé photographs. This research examined to what extent résumé photographs provide accurate information about the personality traits of their owner. Two observers rated 97 résumé photographs on four aspects: color photograph, photograph background, smile and professional attire. These ratings were compared with an accuracy criterion of the big five dimensions (self and peer reports). Results indicate that three out of the four cues are linked to extraversion, conscientiousness, agreeableness and emotional stability. These results suggest that résumé photographs can convey valid information about personality.
Raman Microspectroscopic Analysis of Size-Resolved Atmospheric Aerosol Particle Samples Collected with an ELPI: Soot, Humic-Like Substances, and Inorganic Compounds

Raman microspectroscopy and mapping have been applied for the analysis of soot, humic-like substances (HULIS) and inorganic compounds in size resolved samples of air particulate matter collected with an electrical low pressure impactor (ELPI). Using several reference materials, we found that spectral parameters determined by curve fitting with five bands (G, D1-D4) enable a discrimination of soot and HULIS and provide information about the relative abundance and structural order of graphite-like carbon. In particular, the D1 band width exhibited a near-linear negative correlation with the ratio of apparent elemental carbon to total carbon in different types of soot. The ELPI samples of sub-micrometer atmospheric particles exhibited essentially the same Raman spectra and parameters as standard diesel soot. In winter samples this was also the case for larger particles with aerodynamic diameters up to 4 μm. Spring and autumn samples, however, exhibited increased D1 band widths and D3 band intensities, indicating a high prevalence of HULIS in the size range of 2–4 μm. In addition, various nitrates and sulfates (mostly NaNO3 and (NH4)2SO4; some NH4NO3, Ca(NO3)2, Na2SO4, and CaSO4) and small amounts of CaCO3 were detected. Different single- and multi-component spectra indicated the presence of externally and internally mixed particles. The relative abundance of different chemical components in different particle size ranges was quantified in mapping experiments (0–55% NaNO3, 1–15% (NH4)2SO4, 10–45% soot/HULIS, 30–60% highly fluorescent organics). Overall, the results of this study demonstrate that Raman microspectroscopy and mapping can provide qualitative and quantitative information about the composition of ELPI aerosol samples.
A Polypyrrole Based Sensor for the Electrochemical Detection of OH Radicals

Polypyrrole was used as sensitive material in the development of a new device employed for the indirect detection of OH radicals. The polypyrrole film was electrosynthesized on glassy carbon. The modified electrode was exposed to the OH radicals generated by Fenton reaction. As a result of the overoxidation the conductivity of the polymer diminished very much. The overoxidation (%) was directly proportional to the . OH amount that reached the electrode surface. ABTS. +, superoxide and alkylperoxy radicals did not interfere in the determination. The applicability of the device was demonstrated by estimating the . OH scavenging ability of ascorbic acid.
New and Broader Applications of Anaerobic Digestion

The general performance of anaerobic digesters and the diversity of wastes that these can treat have been increasing steadily during the last decade as a result of new reactor designs, operating conditions, or the use of specialized microbial consortia. This article illustrates a few examples of new or broader applications of anaerobic digestion to the treatment of sewage, slurries, industrial wastewater, and solid wastes. In the case of domestic sewage, the sustainability of the overall process is much improved by the adoption of an anaerobic pretreatment step, for example, an upflow sludge blanket (USB) reactor. New methods for nutrient removal need to be coupled with anaerobic digestion. These may include, for example, anaerobic ammonium oxidation (anammox) and chemical P precipitation. In terms of industrial wastewaters, new additives are being developed that help the anaerobic sludge deal with unbalanced or toxic wastewaters. Engineering of anaerobic sludge granules is a new area of research that ser.
DIATOMIC POTENTIAL FUNCTIONS DERIVED FROM ACCURATE FITS TO VIBRATIONAL ENERGY LEVELS USING ALGEBRAIC THEORY

Algebraic theory is used to fit the set of bound vibrational energy levels of H2 and its isotopomers, up to the dissociation limit and to an accuracy of within 1 cm-1 in each case. Coordinate space potential functions are constructed from these algebraic Hamiltonians, and the limitations of the algebraic approach are assessed.
Emission statistics for Si and HfC emitter arrays after residual gas exposure

Field emission arrays (FEAs) comprising 100 Si or HfC coated Si emitters have been fabricated. The FEAs emission properties were measured in ultra high vacuum conditions and after being subject to Ar and O2 residual gases with partial pressures in the range 10−6 to 10−4Pa. The influence of residual gases on the FEAs field emission properties has been comparatively assessed using the model parameter extraction method. The array field emission model uses equations that describe the electron emission current from individual emitters of given radius R and work function ϕ together with nonuniform distribution functions giving the dispersion of these parameters within the array. A simplified relationship for the array emission current depending on a single integral instead of a double one has been derived. A nonlinear extraction algorithm using partial derivatives of the objective function is used, which gives fast and accurate results. Both Si and HfC emitters exhibit (to a different degree) tightening of the .
Gold Nanorod-sensitized Cell Death: Microscopic Observation of Single Living Cells Irradiated by Pulsed Near-infrared Laser Light in the Presence of Gold Nanorods

Pulsed near-infrared (near-IR) laser irradiation damaged cultured cells in the presence of phosphatidylcholine- passivated gold nanorods (PC-NRs). When single cells were irradiated with a focused pulsed near-IR laser, photoreaction of the PC-NRs caused damage within a very small area around the PC-NRs, and achieved selective cell death of single cells.
Comparative hydrogen sensing performances of Pd– and Pt–InGaP metal–oxide–semiconductor Schottky diodes

The hydrogen sensing performances of Pd– and Pt–InGaP metal–oxide–semiconductor (MOS) Schottky diodes are systematically studied and compared under different operating temperature. It is known that, from experimental results, the Pd–InGaP MOS Schottky diode exhibits higher hydrogen detecting capability at lower hydrogen concentration regimes. On the contrary, the MOS Schottky diode with Pt catalytic material shows better hydrogen detecting capability and higher operating temperature. It is believed that the refractory Pt metal is responsible for detecting high hydrogen concentration in air, especially at high operating temperature. Furthermore, the temperature dependence of equilibrium constants is investigated and reported. In order to study the steady-state reaction kinetics, the van’t Hoff equation is used to estimate the values of initial heat of adsorption for both devices. Based on the Temkin isotherm model, the experimental results and theoretical simulation of hydrogen coverage are also studied an.
Defect Motion on an InP(110) Surface Observed with Noncontact Atomic Force Microscopy

With an atomic force microscope operating in the noncontact mode in an ultrahigh vacuum, atomic-resolution imaging of the cleaved semi-insulating InP(110) surface has been achieved. By this method, atomic scale point defects and their motion were observed at room temperature, without the field-induced effects associated with scanning tunneling microscopy.
Atomistic studies of energies and structures of (hk0) surfaces in NiO

Abstract In this work we study the energies and structures of (hk0) surfaces in NiO by computer simulation. The short-range interactions are described by Buckingham potentials. The O ion is treated as polarizable by employing the shell model. The coefficients of the potentials and the shell parameters are fitted empirically to properties of the NiO perfect lattice assuming full ionicity. It is shown that discrete atomic structures of (hk0) surfaces can be treated as monatomic steps distributed uniformly or non-uniformly on {100} terraces. The energy of a surface is determined by the density of steps. The energy of the monatomic step is found to be 7·58 × 10 −10Jm−1 before relaxation and 3·32 × 10−10 Jm−1 after relaxation. The elastic interaction between steps is repulsive and increases as the square of the step density. Surface rumpling is found to be a general property, with the anion cores moving outwards from the cations and also outwards from the anion shells, so that the anions are polarized. The pol.
Mixture models with weak micro-heterogeneity

Weakly micro-heterogeneous binary systems are modelled as a mixture of a simple Lennard-Jones liquid and water-like models with reduced partial charges, hence named ‘weak-waters’. Such mixtures do not have the statistic problems of the usual micro-heterogeneous mixtures, and they allow to test how well liquid state integral equation theories are able to describe locally heterogeneous structures. It is found that such theories describe quite well the short-range structure, but fail to reproduce the heterogeneous structure in the nanometer range. In particular, it is found that the theories are not able to distinguish between micro-segregation and concentration fluctuations, a flaw apparent through the small wave vector behaviour of the structure factors. This finding helps provide further insight into both the nature of the micro-heterogeneity of aqueous mixtures in general, and the routes to improve the ability of integral equation theories to describe such mixtures.
Effect of Ti substitution on the thermoelectric properties of (Zr,Hf)NiSn half-Heusler compounds

The effect of Ti substitution on the thermoelectric properties of (Zr,Hf)NiSn half-Heusler compounds was studied. It was found that the substitution of Ti for (Zr,Hf) reduced the thermal conductivity significantly to a low value of 3.0W∕mK at room temperature. In addition, a remarkable enhancement of the Seebeck coefficient due to Ti substitution was observed. Furthermore, doping of the Sn sites in (Ti,Zr,Hf)NiSn with Sb led to a reduction in the electrical resistivity and to a corresponding enhancement of the power factor. In Sb-doped (Ti,Zr,Hf)NiSn compounds, the dimensionless figure of merit, ZT, increased with the increase in temperature and reached a high maximum value of 1.5 at 700K.
Effect of Steam Treatment on the Chemical Composition of Wheat Straw

A study was carried out on the effects of steam treatment at 120°C/2 bar for different periods of time on the chemical composition of wheat straw cell wall material. The contents of weakly acidic pectic polysaccharide (WAPP), 80% ethanol soluble material, lignin, hemicelluloses and α-cellulose were determined by successive extractions with 0.25% ammonium oxalate solution, 80% ethanol, acidic sodium chlorite solution and 24% potassium hydroxide with 2% boric acid solution from the residues of 15, 30, 60, 120, 180 and 300min steam treated wheat straw, respectively. The yields of WAPP, hemicellulose, cellulose and lignin extracted from the treated straw ranged from 1.8 to 2.6%, 29.8 to 34.0%, 42.1 to 45.6% and 20.0 to 22.7%, respectively. The neutral sugars in the extracts were measured by gas chromatography. The contents of phenolic acids and aldehydes resulting from alkaline nitrobenzene oxidation of lignin remaining in hemicellulose and cellulose extracted from steam treated wheat straw ranged between 0.14 and 0.33%. The results showed that steam treatment removed some portion of pectic substances and hemicelluloses. In addition, for treatment periods greater than 120min, the treated straw contained higher amounts of lignin and cellulose than untreated straw.
Generation of TiO2 Aerosols from Liquid Suspensions: Influence of Colloid Characteristics

The influence of the colloidal characteristics of aqueous TiO2 nanoparticle suspensions and of the operating conditions on the total particle concentration and the particle size distribution of aerosols generated by nebulization has been studied. A commercial nebulization unit coupled to a diffusion dryer was used to generate aerosols using two different sources of titanium dioxide nanoparticles. Stable, concentration-tunable aerosols could be obtained for both types of nanoparticle suspensions. The effect of operating conditions during nebulization (air flow rate, purity of water source, nanoparticle concentration, and pH of the precursor suspension) was studied. The results obtained indicate that the degree of agglomeration in the liquid phase previous to aerosol formation has a direct influence both on the total nanoparticle count and on the particle size distribution of the generated aerosols. Copyright 2013 American Association for Aerosol Research
Nanoparticles and nanoballoons of amorphous boron coated with crystalline boron nitride

Solid- and hollow-cored nanoparticles of amorphous boron coated with crystalline boron nitride (BN) have been synthesized by pulsed-laser vaporization of BN, where the laser plume was controlled with a modulated plasma jet. The hollow particles (nanoballoons) were coated with BN both on the interior and exterior surfaces. The solid particles ranged from a few to 40 nm in their size. The typical diameter of the hollow particles and their wall thickness were about 200 and 30 nm, respectively. The nanoballoons were obtained only when the plasma modulation was synchronized with the ArF excimer-laser pulses.