Miracle-dz/UniFAR-FTUs huggingface dataset:
A TERNARY ALLOY WITH PBCL2-TYPE STRUCTURE: TINISI(E),

Abstract : Beck and coworkers have found E phases in several ternary systems of transition elements with either silicon or germanium at the composition 1:1:1. The crystal structure of TiNiSi(E) has been determined and refined by least squares with (limited) three-dimensional single-crystal data to a final R value of 0.086 (excluding 002 due to apparent extinction, and all nonobserved reflexions). The lattice parameters for the primitive orthorhombic cell are: a sub 0 = 6.1484=0.0012, b sub 0 = 7.0173=0.0014, c sub 0 = 3.6698=0.0007 A. The E phase is isotypic with PbCl2(C23), space group Pnam. All near-neighbor distances are within 0.06 A of the following average values: Ti-Ti 3.18, Ti-Ni 2.83, Ti-Si 2.61, Ni-Ni 2.67, Ni-Si 2.33 A. The numbers of nearneighbors are compared with those in Co2Si, theta Ni2Si and U3Si2. (Author)
Formation of thin Cu2S /chalcocite/ films using reactive sputtering techniques

Thin Cu2S (chalcocite) films, which are of interest for solar cell fabrication, have been prepared using reactive sputtering techniques. The copper–sulfur system, which is multiphasic an polymorphic, is difficult to form in the orthorhombic chalcocite phase. This phase can be achieved by careful control of substrate temperature and the partial pressure of H2S in the sputtering atmosphere. Sulfur‐rich atmospheres produce the sulfur‐rich CuxS phases which are unsuitable for solar cell fabrication, whereas sulfur‐lean atmospheres result in precipitated copper cones on the surface. Epitaxial chalcocite films have been formed on single‐crystal CdS substrates. Charge transport studies in polycrystalline CuxS films formed on polycrystalline CdS indicate minority carrier diffusion lengths of 100 nm which are adequate for solar cell operation. The sputtering parameters affecting film formation (H2S concentration, substrate temperature and bias, and substrate material) have been studied and are discussed.
An experimental study of the extent of the operating region and emission characteristics of stratified combustion using the controlled autoignition method

Controlled autoignition (CAI) combustion, also known as homogeneous charge compression ignition (HCCI), offers the potential to simultaneously improve fuel economy and reduce emissions. CAI combustion was achieved in a single-cylinder gasoline direct-injection (DI) engine with a cylinder running in CAI mode. Standard components were used in the camshafts, which had been modified to restrict the gas exchange process. We investigated the effects of the air/fuel ratio, residual exhaust gas recirculation (EGR) rate, and injection timing such as early and late injections on the attainable CAI combustion region. The effect of injection timing on factors such as the start of combustion, its duration, and its heat release rate was also investigated. The results show that early injection caused the mixture to ignite earlier and to burn more quickly because of the exothermic reaction during the recompression and gave rise to thorough mixing of the fuel and air. Late injection extended the operation region more than.
Hierarchical fibre composite structure and micromechanical properties of phosphatic and calcitic brachiopod shell biomaterials – an overview

Abstract Brachiopods are a phylum of shell-forming sessile marine invertebrates which have existed since the early Cambrian. Two very different biomaterial design strategies for their shells evolved early in their history. Both strategies use hybrid fibre composites, however, one is based on mineral fibres embedded in ~2 wt. % of organic biopolymer sheaths and the inorganic fibres are calcite single crystals. In the second strategy the fibres are biopolymers and are reinforced with Ca-phosphate nanoparticles to form a fibrous nanocomposite. Here the organic component (chitin) dominates. The Ca-phosphate nanoparticle-reinforcement strategy is not unlike that in vertebrate bone, however, the microscale structure is laminated with alternating laminae which have a different degree of mineralization. The calcitic shells feature an outer compact layer of calcite micro- and nanoparticles protecting the inner fibrous layer from the outside. Transmission electron microscopy of the fibrous layer reveals intercrystalline and intracrystalline biopolymers. The calcitic shell material is stiff with nano-indentation E-moduli of 63±8 GPa and relatively hard (Vickers microhardness up to 400 HV 0.0005/10 and nanohardness 4±0.5 GPa). Compared to inorganic calcite the microhardness is doubled and the nanohardness increases by 60%. We attribute this increased hardness to intracrystalline biopolymers. The nano-indentation E-moduli of the chitinophosphatic shells range from 3 to 55 GPa as a result of the varying degree of mineralization between their laminae, and similarly their nanohardness varies between 0.1 and 3 GPa. For brachiopods burrowing inside the sediment, the alternation of non-mineralized laminae with thin, more strongly mineralized laminae provides abrasion-resistance, hardness and longitudinal stiffness while it preserves the flexibility provided by the organic component for bending movements.
Microscopy Studies of the Palygorskite-to-Smectite Transformation

The transformation process between palygorskite and smectite was studied by examining the morphological and structural relationships between these two minerals in an assemblage from the Meigs Member of the Hawthorne Formation, southern Georgia. Studied samples were related to an alteration horizon with a tan clay unit above and a blue clay unit below. Atomic force microscopy (AFM) and transmission electron microscopy (TEM) were used to study the mechanism of transformation.From AFM data, both clay units contain euhedral palygorskite fibers. Many fibers are found as parallel intergrowths joined along the [010] direction to form ‘raft-like’ bundles. Degraded fibers, which are common in the tan clay, have a distinctly segmented morphology, suggesting a dissolution texture. Many of the altered palygorskite fibers in the tan clay exhibit an oriented overgrowth of another mineral phase, presumably smectite, displaying a platy morphology. This latter mineral forms along the length of the palygorskite crystals with an interface parallel to {010} of the palygorskite. The resulting grain structures have an elongate ‘wing-like’ morphology.Imaging by TEM of tan clay material shows smectite lattice-fringe lines intergrown with 2:1 layer ribbon modules (polysomes) of the palygorskite. These features indicate an epitaxial overgrowth of smectite on palygorskite and illustrate the structural relationship between platy overgrowths on fibers observed in AFM data. The epitaxial relationship is described as {010} [001] palygorskite ‖ {010} [001] smectite.Energy dispersive spectroscopy indicates that the smectite is ferrian montmorillonite. Polysomes of palygorskite fibers involved in these textures commonly vary and polysome widths are consistent with double tetrahedral chains (10.4 Å), triple tetrahedral chains (14.8 Å), quadruple tetrahedral chains (21.7 Å) and quintuple tetrahedral chains (24.5 Å). The transformation of palygorskite to smectite and the resulting intergrowths will cause variations in bulk physical properties of palygorskite-rich clays. The observation of this transformation in natural samples suggests that this transformation mechanism may be responsible for the lower abundance of palygorskite in Mesozoic and older sediments.
Photo- and Electroluminescent Properties of Polymethacrylates with Carbazolyl and Fluorescent Pendant Groups

Because polymeric materials have recently found widespread use in light-emitting devices, we decided to exploit a novel group of copolymers as active materials in such devices and managed to obtain polymeric electroluminescent diodes emitting blue light. The electroluminescent devices were fabricated using the copolymers composed of 2-(carbazol-9-yl)ethyl methacrylate (CEM) and 3-phenyl-7-methacryloyloxyethoxy-1-methyl-1H-pyrazolo[3,4-b]-quinoline (MEPQ). The concentration of MEPQ in the copolymers was kept at a low level and changed from 0.5, 1, 2, 5 to 8 mol %. The turn-on voltage for light emission was 8 V. It was found that the emission peaks of the electroluminescent devices were blue-shifted by ≈9 nm in comparison to photoluminescence spectra of the copolymers in thin film. Moreover, as the concentration of MEPQ in the copolymers was increased from 0.5 to 8 mol %, the photoluminescence emission peaks shifted slightly to the red from 447 to 455 nm, while the electroluminescence emission peaks moved f.
A Common Precursor Approach to Structurally Diverse Natural Products: The Synthesis of the Core Structure of (±)‐Clausenamide and the Total Synthesis of (±)‐Hyalodendrin

Structurally diverse natural products from unrelated sources typically require the development of individual synthetic routes. In a novel approach, we have shown that the epidithiodiketopiperazine-derived natural product (±)-hyalodendrin and the core structure of the unrelated pyrrolidine-derived natural product clausenamide can be synthesised from a common synthetic precursor in good yield by simple variation of the reaction conditions.
Critical Parameters and Saturated Densities in the Critical Region for trans-1,3,3,3-Tetrafluoropropene (HFO-1234ze(E))

Measurements of the saturated vapor and liquid densities near the critical point for trans-1,3,3,3-tetrafluoropropene (CFH═CHCF3; HFO-1234ze(E)) were carried out in the reduced temperature range of 0.962 < T/Tc < 1 and in the reduced density range of 0.40 < ρ/ρc < 1.70. Taking into consideration the meniscus disappearing level as well as the intensity of the critical opalescence, the critical temperature Tc and critical density ρc were determined experimentally. The critical pressure Pc was calculated by extrapolating the vapor-pressure equation to the critical temperature. The critical parameters reported in this paper are Tc = (382.51 ± 0.01) K, ρc = (486 ± 3) kg·m−3, Vc = (235 ± 2) cm3·mol−1, and Pc = (3632 ± 3) kPa. The saturated liquid density correlation is formulated using the present data. In addition, the critical exponent β along the coexistence curve was also discussed.
Inter-Comparison of a Fast Mobility Particle Sizer and a Scanning Mobility Particle Sizer Incorporating an Ultrafine Water-Based Condensation Particle Counter

An Ultrafine Water-based Condensation Particle Counter (UWCPC), a Scanning Mobility Particle Sizer (SMPS) incorporating an UWCPC, and a Fast Mobility Particle Sizer (FMPS) were deployed to determine the number and size distribution of ultrafine particles. Comparisons of particle number concentrations measured by the UWCPC, SMPS, and FMPS were conducted to evaluate the performance of the two particle sizers using ambient particles as well as lab generated artificial particles. The SMPS number concentration was substantially lower than the FMPS (FMPS/SMPS = 1.56) measurements mainly due to the diffusion losses of particles in the SMPS. The diffusion loss corrected SMPS (C-SMPS) number concentration was on average ∼ 15% higher than the FMPS data (FMPS/C-SMPS = 0.87). Good correlation between the C-SMPS and FMPS was also observed for the total particle number concentrations in the size range 6 nm to 100 nm measured at a road-side urban site (r2 = 0.91). However, the particle size distribution measured by the C-SMPS was quite different from the size distribution measured by the FMPS. An empirical correction factor for each size bin was obtained by comparing the FMPS data to size-segregated UWCPC number concentrations for atmospheric particles. The application of the correction factor to the FMPS data (C-FMPS) greatly improved the agreement of the C-SMPS and C-FMPS size distributions. The agreement of the total particle concentrations also improved to well within 10% (C-FMPS/C-SMPS = 0.95).
CHARACTERIZATION OF THIOLS IN PRESWEETENING AND SWEETENED RFCC GASOLINE DISTILLATE

ABSTRACT Thiols in RFCC naphthas produced in two refineries in China have been separated and characterized with GC/FPD. The identification results show that there are more than 20 kinds of thiols, including C3-C8 normal thiols, isothiols, thiophenol and methylthiophenol presenting in presweetening RFCC naphthas, while in sweetened RFCC naphthas, only have the isothiols and C7-C8 normal thiols been detected. The content of C7-C8 thiols and isothiols is higher in RFCC naphthas than that in FCC naphthas.
A new approach for determining low‐frequency normal modes in macromolecules

A new method for calculating a set of low‐frequency normal modes in macromolecules is proposed and applied to the case of proteins. In a first step, the protein chain is partitioned into blocks of one or more residues and the low‐frequency modes are evaluated at a low‐resolution level by combining the local translations and rotations of each block. In a second step, these low‐resolution modes are perturbed by high‐frequency modes explicitly calculated in each block, thus leading to the exact low‐frequency modes. The procedure is tested for three cases–decaalanine, icosaleucin, and crambin–using a perturbation‐iteration scheme in the second step. Convergence properties and numerical accuracy are assessed and tested for various partitions. The low‐resolution modes obtained in the first step are always found to be good starting approximations. Potential advantages of the method include a central processing unit time roughly N2 dependent on the size of the problem (N being the number of degrees of freedom), the possibility of using parallel processing, the nonrequirement for loading the complete mass‐weighted second‐derivative input matrix into central memory, and the possibility of introducing in the procedure further structural hierarchy, such as secondary structures or motifs. In addition, any improvement or refinement of the algorithm benefits from the efficient formalism of the effective Hamiltonian theory. © 1994 John Wiley & Sons, Inc.
Effect of Gasoline Fuel Additives on Combustion and Engine Performance

Ever increasing emissions regulations and demand for fuel economy have brought about great advances in fuel and engine technologies. Improving engine efficiency through the use of fuel additives has been practiced for nearly a century but advances to direct injection gasoline engines have presented new obstacles that need to be overcome. With direct injection systems often suffering from reduced timescales allowed for combustion processes, atomisation and vaporisation characteristics have become of paramount significance. Present study aimed at adding to the field of knowledge by experimentally investigating commercial fuel additives of different functional iti es against their effects on fuel atomisation and combustion characteristics. Fuel atomisation was evaluated through the use of a laser diffraction system and measurement of fuel viscosity and surface tension. Additives from six functional groups were investigated. Additionally, effects of anti-knock and ignition promoting additives on gasoline combustion behaviour were studied in a constant volume combustion vessel and a single cylinder research engine. Flame speed, heat release rate and emissions output were compared for three commercially available combustion improvers. Investigation into the effect of fuel additives on the physical properties and therefore on fuel atomisation and sprays revealed that in commercially employed quantities, no significant change in recorded Sauter Mean Diameter could be observed. Combustion investigations in a combustion vessel demonstrated that the low temperature reactions initiated by ignition promoting additive reduced CO emissions up to 37.7 % which could be attributed to possible reduced flame quenching near combustion chamber walls. However, in high quantities this reduction in CO levels was not experienced. Addition of anti-knock additives resulted in increased NOx emissions, which was thought to result from increased combustion durations. Present work has clarified fuel additive function and interactions with combustion processes and has demonstrated that gasoline fuel additives do not interfere with combustion processes outside their intended functionality.
Improving single-molecule FRET measurements by confining molecules in nanopipettes

In recent years Fluorescence Resonance Energy Transfer (FRET) has been widely used to determine distances, observe distance dynamics, and monitor molecular binding at the single-molecule level. A basic constraint of single-molecule FRET studies is the limited distance resolution owing to low photon statistics. We demonstrate that by confining molecules in nanopipettes (50-100 nm diameter) smFRET can be measured with improved photon statistics reducing the width of FRET proximity ratio distributions (PRD). This increase in distance resolution makes it possible to reveal subpopulations and dynamics in biomolecular complexes. Our data indicate that the width of PRD is not only determined by photon statistics (shot noise) and distance distributions between the chromophores but that photoinduced dark states of the acceptor also contribute to the PRD width. Furthermore, acceptor dark states such as triplet states influence the accuracy of determined mean FRET values. In this context, we present a strategy for the correction of the shift of the mean PR that is related to triplet induced blinking of the acceptor using reference FCS measurements.
Global parameter optimization of a Mather-type plasma focus in the framework of the Gratton–Vargas two-dimensional snowplow model

Dense plasma focus (DPF) is known to produce highly energetic ions, electrons and plasma environment which can be used for breeding short-lived isotopes, plasma nanotechnology and other material processing applications. Commercial utilization of DPF in such areas would need a design tool that can be deployed in an automatic search for the best possible device configuration for a given application. The recently revisited (Auluck 2013 Phys. Plasmas 20 112501) Gratton–Vargas (GV) two-dimensional analytical snowplow model of plasma focus provides a numerical formula for dynamic inductance of a Mather-type plasma focus fitted to thousands of automated computations, which enables the construction of such a design tool. This inductance formula is utilized in the present work to explore global optimization, based on first-principles optimality criteria, in a four-dimensional parameter-subspace of the zero-resistance GV model. The optimization process is shown to reproduce the empirically observed constancy of the drive parameter over eight decades in capacitor bank energy. The optimized geometry of plasma focus normalized to the anode radius is shown to be independent of voltage, while the optimized anode radius is shown to be related to capacitor bank inductance.
Two new Veratrum alkaloids, hosukinidine and epirubijervine from illuminated Veratrum plant.

Hosukinidine, (20R, 22R, 25S)-veratra-5, 12-dien-3β-ol, and epirubijervine, (22R, 25S)-solanid-5-ene-3β, 12β-diol, were isolated from illuminated Veratrum plant.
An XPS study of the initial stages of oxidation of hafnium

The oxidation kinetics of polycrystalline hafnium (Hf) at room temperature and low oxygen pressure (Po2 ∼ 10−7 Torr) has been studied by x-ray photoelectron spectroscopy (XPS). After a chemisorption stage for exposures ⩽ 5 L, Hf suboxides are initially formed and are dominant until ∼ 25 L. HfO2 appears at ∼ 10 L. Above 25 L, HfO2 grows by oxidation of the suboxides, whereas the oxide film thickness remains constant. Above 500 L, a saturation region is observed that corresponds to an oxide layer of 12 A thick with an average composition HfO1.8.
Teachers’ perceptions of students’ development of multiplicative thinking

Having an understanding of the key ideas underpinning multiplicative thinking is critical for future learning beyond the primary school years. The shift to multiplicative thinking can be challenging for both students and teachers due to its multifaceted nature. This paper reports on a pilot study of professional learning in schools that identified multiplicative thinking, an area of concern. We sought to explore in situ professional learning (school-based) within 14 primary schools across a six-month period. Our findings suggest that in situ professional learning had a positive impact on teachers’ mathematical content knowledge and pedagogical content knowledge.
The Morphology of Graphene Sheets Treated in an Ozone Generator

Using atomic force microscopy and Raman spectroscopy, we characterize the highly disordered morphology of single-layer and multilayer graphene sheets that results from long exposures to ozone molecules and oxygen radicals in an ozone generator. We identify a crossover from a nanocrystalline phase to an amorphous carbon phase in single-layer graphene as the exposure time is increased. We then consider the nanocrystalline phase and compare the morphology of single-layer sheets, multilayer sheets, and graphite flakes. Finally, we find that salient structures, such as steps and folds, act as sinks for disorder.
Capacitive Study of Ni(OH)2 Xerogels in KOH Solution

Ni(OH)2 xerogels were formed by sol-gel method at 80 °C followed drying at 110 °C and ambient pressure. The structure of Ni(OH)2 xerogels was characterized using X-ray diffraction, transmission electron microscope (TEM) and N2 (77K) adsorption. X-Ray Diffraction (XRD) results showed that the material obtained has a crystalline -Ni(OH)2. TEM images showed that average size of the crystalline phase is about 10 nm. Results of N2 (77K) adsorption isotherm showed that the (BET) specific surface area is 232 m2/g and the Pore size distribution is in the regime 1-4 nm (Barrett–Joyner–Halenda, BJH). The Ni(OH)2 xerogels electrodes were activated using cyclic voltammetry, and their capacitive performance was evaluated using cyclic voltammetry (CV) and constant current discharge. The Ni(OH)2 xerogels electrodes exhibited excellent capacitive behavior with a specific capacitance of 635 F/g (calculated by CV). High performance obtained indicates that the Ni(OH)2 xerogels are promising electrode materials for supercapacitors, and the electrochemical activation of these electrodes is doable.