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The structure of the ionic liquid choline lysinate ([Ch][Lys]) and its water mixtures, including a dissolved model lignin residue, guaiacol, is revealed at atomic and nanoscale resolution using neutron diffraction.
Correction for ‘Synthesis and characterisation of brannerite compositions (U 0.9 Ce 0.1 ) 1−x M x Ti 2 O 6 (M = Gd 3+ , Ca 2+ ) for the immobilisation of MOX residues’ by D. J. Bailey et al ., RSC Adv. , 2018, 8 , 2092–2099. DOI: 10.1039/C7RA11742F.
Drinking water treatment residuals (DWTRs) are complex mixtures of organic and inorganic phases generally disposed of as waste materials. However, their strong sorptive properties could be further exploited to immobilize contaminants. To characterize these materials, we applied a range of analytical techniques to a set of aluminum-based DWTRs. Here we determined surface areas, elemental compositions using CHNS analysis and X-ray fluorescence (XRF), performed thermogravimetric analyses paired with mass spectrometry (TGA-MS), and used synchrotron-based methods: X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Elemental analyses and specific surface area measurements – that vary between 7.23 ± 0.03 and 197.6 ± 0.9 m 2 g –1 – indicate that non-coagulant additives must play an important role in controlling sorption. High resolution powder XRD reveals the presence of only a few crystalline minerals mostly derived from source waters or additives. Fe was detected by XRF in all samples, whereas Mn was present in significant levels in samples with potassium permanganate as additive. The chemical speciation of these elements was characterized by performing spectral decompositions of XAS spectra. The spectral features of Fe are consistent with iron(III) oxides/hydroxides and structural iron in clays. On the other hand, Mn is predominantly present under its reduced form, Mn(II).
A crown-shaped Cu 3 Cl 3 fragment captured by a ligand that features tetramethylguanidinyl residues and an apically oriented arene platform gives rise to a potent benzylic and tert -C–H bond amination catalyst via a computed dicopper nitrene oxidant.
Engineered metalloproteins that mimic the active sites of natural copper metalloenzymes are used to systematically investigate the influence of aromatic residues within the secondary coordination sphere on reactivity.
Correction for ‘Reductive catalytic fractionation of agricultural residue and energy crop lignin and application of lignin oil in antimicrobials’ by Elvis Osamudiamhen Ebikade et al. , Green Chem. , 2020, 22 , 7435–7447, https://doi.org/10.1039/D0GC02781B.
Lime is typically comprised of calcium carbonate (CaCO 3 ) or calcium magnesium carbonate (CaMg(CO 3 ) 2 ) and is needed to maintain a proper pH in agriculture and forestry soils, but it represents a major cost to growers and results in significant greenhouse gas emissions due to the mining, crushing, and transport required. There is a need to identify existing sources of alkaline mineral wastes and assess their potential as sustainable and cost-effective alternatives to lime. Dregs and grits (DGs) are highly alkaline mineral residues from biomass pulp mills that form during the recovery of pulping chemicals and are mostly comprised of CaCO 3 . For the first time, we assess the efficacy of industrially sourced DGs on 22 acidic soils across the Southeastern United States that are currently used in either agriculture or forestry operations. The application of DGs was found on average to result in the same soil pH response as calcite over multiple soil incubations (0 day to 120 days). An analysis of the carbon content of the soils after the incubation revealed that soils incubated with DGs experienced a statistically significant increase in soil carbon relative to control soils and those incubated with CaCO 3 . The generation and application of DGs emits 0.35 tonnes of CO 2 for every tonne of DGs, which compares favorably to the 0.86 tonnes of CO 2 for every tonne of agricultural lime generated and $85 per tonne lime reported in the literature. DGs prove to be a sustainable and economical substitute for agricultural lime in the acidic soils of the Southeastern United States.
We have carried out calculations for the fully differential cross section of the ionization of helium by electron projectiles. In order to study the effect of the residual ion potential, we employed three models, and tested them for the coplanar and perpendicular plane geometry. In spite of the simplicity of our models, the results for the coplanar case are in fair agreement with the available experimental data. The results for the perpendicular geometry need more improvement.
The energy-level alignment at metal/organic interfaces has traditionally been studied using ultraviolet photoelectron spectroscopy (UPS) in ultra-high vacuum (UHV). However, since most devices are fabricated in high vacuum (HV), these studies do not accurately reflect the interfaces in real devices. We demonstrate, using UPS measurements of samples prepared in HV and UHV and current-voltage measurements of devices prepared in HV, that the small amounts of residual gases that are adsorbed on the surface of clean Cu, Ag, and Au (i.e., the noble metals) in HV can significantly alter the energy-level alignment at metal/organic interfaces.
Unintentionally doped {beta}-FeSi{sub 2} epitaxial films were grown on silicon-on-insulator substrates by molecular beam epitaxy using a high-purity (5N) Fe source to investigate the effect of residual impurities on the transport properties of {beta}-FeSi{sub 2}. From secondary ion mass spectroscopy analysis, impurities of As, Al, and Mn ({approx}10{sup 17} cm{sup -3}); P and B ({approx}10{sup 16} cm{sup -3}); and Cr and Pb ({approx}10{sup 15} cm{sup -3}) were detected in the epitaxial layer. In Hall measurements at room temperature, the films exhibited n-type conduction with a carrier density of 4-6 Multiplication-Sign 10{sup 16} cm{sup -3} and a Hall mobility of 400-440 cm{sup 2}/Vs. In the temperature (T) dependence of the transport properties, a transition from band conduction to hopping conduction was observed at approximately T = 230 K. At temperatures of 110-150 K, both negative and positive magnetoresistance (MR) were observed depending on the temperature and magnetic field. The MR exhibits mixed conduction of defect band conduction and band conduction in this temperature range.
Research on material removal mechanism is meaningful for precision and ultra-precision manufacturing. In this paper, a novel scratch device was proposed by integrating the parasitic motion principle linear actuator. The device has a compact structure and it can be installed on the stage of the scanning electron microscope (SEM) to carry out in situ scratch testing. Effect of residual chips on the material removal process of the bulk metallic glass (BMG) was studied by in situ scratch testing inside the SEM. The whole removal process of the BMG during the scratch was captured in real time. Formation and growth of lamellar chips on the rake face of the Cube-Corner indenter were observed dynamically. Experimental results indicate that when lots of chips are accumulated on the rake face of the indenter and obstruct forward flow of materials, materials will flow laterally and downward to find new location and direction for formation of new chips. Due to similar material removal processes, in situ scratch testing is potential to be a powerful research tool for studying material removal mechanism of single point diamond turning, single grit grinding, mechanical polishing and grating fabrication.
The stabilizing effect of velocity shear on the macroscopic, broad bandwidth, ideal interchange instability is studied in linear and nonlinear regimes. A 2D dissipative magnetohydrodynamic (MHD) code is employed to simulate the system. For a given flow shear, V Prime , linear growth rates are shown to be suppressed to below the shear-free level at both the small and large wavelengths. With increasing V Prime , the unstable band in wavenumber-space shrinks so that the peak growth results for modes that correspond to relatively high wavenumbers, on the scale of the density gradient. In the nonlinear turbulent steady state, a similar turbulent spectrum obtains, and the convection cells are roughly circular. In addition, the density fluctuation level and the degree of flattening of the initial inverted density profile are found to decrease as V Prime increases; in fact, unstable modes are almost completely stabilized and the density profile reverts to laminar when V Prime is a few times the classic interchange growth rate. Moreover, the turbulent particle flux diminishes with increasing velocity shear such that all the flux is carried by the classical diffusive flux in the asymptotic limit. The simulations are compared with measurements of magnetic fluctuations from the Maryland Centrifugal Experiment, MCX, which investigated interchange modes in the presence of velocity shear. The experimental spectral data, taken in the plasma edge, are in general agreement with the numerical data obtained in higher viscosity simulations for which the level of viscosity is chosen consistent with MCX Reynolds numbers at the edge. In particular, the residual turbulence in both cases is dominated by elongated convection cells. Finally, concomitant Kelvin-Helmholtz instabilities in the system are also examined. Complete stability to interchanges is obtained only in the parameter space wherein the generalized Rayleigh inflexion theorem is satisfied.
We calculated the residual entropy of ices (Ih, Ic, III, V, VI) and clathrates (I, II, H), assuming the same energy of all configurations satisfying the Bernal–Fowler ice rules. The Metropolis Monte Carlo simulations in the range of temperatures from infinity to a size-dependent threshold were followed by the thermodynamic integration. Convergence of the simulation and the finite-size effects were analyzed using the quasichemical approximation and the Debye–Hückel theory applied to the Bjerrum defects. The leading finite-size error terms, ln N/N, 1/N, and for the two-dimensional square ice model also 1/N{sup 3/2}, were used for an extrapolation to the thermodynamic limit. Finally, we discuss the influence of unequal energies of proton configurations.
A versatile and portable magnetically shielded room with a field of (700 ± 200) pT within a central volume of 1 m × 1 m × 1 m and a field gradient less than 300 pT/m, achieved without any external field stabilization or compensation, is described. This performance represents more than a hundredfold improvement of the state of the art for a two-layer magnetic shield and provides an environment suitable for a next generation of precision experiments in fundamental physics at low energies; in particular, searches for electric dipole moments of fundamental systems and tests of Lorentz-invariance based on spin-precession experiments. Studies of the residual fields and their sources enable improved design of future ultra-low gradient environments and experimental apparatus. This has implications for developments of magnetometry beyond the femto-Tesla scale in, for example, biomagnetism, geosciences, and security applications and in general low-field nuclear magnetic resonance (NMR) measurements.
The thermodynamics and kinetics of the one dimensional lattice gas with repulsive interaction are investigated using transfer matrix technique and Monte Carlo simulations. This simple model is shown to exhibit waterlike anomalies in density, thermal expansion coefficient, and self-diffusion. An unified description for the thermodynamic anomalies in this model is achieved based on the ground state residual entropy which appears in the model due to mixing entropy in a ground state phase transition.
When a gas is ionized by a few-cycle laser pulse, some residual current density (RCD) of free electrons remains in the produced plasma after the passage of the laser pulse. This quasi-dc RCD is an initial impetus to plasma polarization and excitation of the plasma oscillations which can radiate terahertz (THz) waves. In this work, the analytical model for calculation of RCD excited by a few-cycle laser pulse is developed for the first time. The dependences of the RCD on the carrier-envelope phase (CEP), wavelength, duration, and intensity of the laser pulse are derived. It is shown that maximum RCD corresponding to optimal CEP increases with the laser pulse wavelength, which indicates the prospects of using mid-infrared few-cycle laser pulses in the schemes of generation of high-power THz pulses. Analytical formulas for optimal pulse intensity and maximum efficiency of excitation of the RCD are obtained. Basing on numerical solution of the 3D time-dependent Schrödinger equation for hydrogen atoms, RCD dependence on CEP is calculated in a wide range of wavelengths. High accuracy of analytical formulas is demonstrated at the laser pulse parameters which correspond to the tunneling regime of ionization.
We have developed a novel concept for a Compact Dual Ion Composition Experiment (CoDICE) that simultaneously provides high quality plasma and energetic ion composition measurements over 6 decades in ion energy in a wide variety of space plasma environments. CoDICE measures the two critical ion populations in space plasmas: (1) mass and ionic charge state composition and 3D velocity and angular distributions of ∼10 eV/q–40 keV/q plasma ions—CoDICE-Lo and (2) mass composition, energy spectra, and angular distributions of ∼30 keV–10 MeV energetic ions—CoDICE-Hi. CoDICE uses a common, integrated Time-of-Flight (TOF) versus residual energy (E) subsystem for measuring the two distinct ion populations. This paper describes the CoDICE design concept, and presents results of the laboratory tests of the TOF portion of the TOF vs. E subsystem, focusing specifically on (1) investigation of spill-over and contamination rates on the start and stop microchannel plate (MCP) anodes vs. secondary electron steering and focusing voltages, scanned around their corresponding model-optimized values, (2) TOF measurements and resolution and angular resolution, and (3) cross-contamination of the start and stop MCPs’ singles rates from CoDICE-Lo and -Hi, and (4) energy resolution of avalanche photodiodes near the lower end of the CoDICE-Lo energy range. We also discuss physical effects that could impact the performance of the TOF vs. E subsystem in a flight instrument. Finally, we discuss advantages of the CoDICE design concept by comparing with capabilities and resources of existing flight instruments.
Effects of residual C impurities and Ga vacancies on the dynamic instabilities of AlN/AlGaN/GaN metal insulator semiconductor high electron mobility transistors are investigated. Secondary ion mass spectroscopy, positron annihilation spectroscopy, and steady state and time-resolved photoluminescence (PL) measurements have been performed in conjunction with electrical characterization and current transient analyses. The correlation between yellow luminescence (YL), C- and Ga vacancy concentrations is investigated. Time-resolved PL indicating the C{sub N} O{sub N} complex as the main source of the YL, while Ga vacancies or related complexes with C seem not to play a major role. The device dynamic performance is found to be significantly dependent on the C concentration close to the channel of the transistor. Additionally, the magnitude of the YL is found to be in agreement with the threshold voltage shift and with the on-resistance degradation. Trap analysis of the GaN buffer shows an apparent activation energy of ∼0.8 eV for all samples, pointing to a common dominating trapping process and that the growth parameters affect solely the density of trap centres. It is inferred that the trapping process is likely to be directly related to C based defects.