Wide Range Of Compositions Research Articles

Density and surface tension of liquid Al, V and their binary alloys measured by electromagnetic levitation

Both density and surface tension were systematically investigated over a wide temperature and compositional range for the liquid Al–V alloy system. The thermophysical properties were measured in an electromagnetic levitation device. A linear decrease in surface tension and density with increasing temperature was observed for every alloy composition investigated. Additionally, a decrease in density and surface tension was observed for increasing aluminum content among the different probed samples. This decrease is, a strong deviation from an ideal mixing behavior which was experienced for both properties. Different models, including variants of the well-established Butler model, were employed to better describe the compositional dependence of density and surface tension in the liquid Al–V system. The advantages and disadvantages were discussed for each model describing the measured thermophysical property data. Strong similarities were observed when comparing the mixing behavior and segregation effects of the investigated Al–V system with already established works for the liquid Al–Ti system. The results suggest that both vanadium and titanium show similar mixing behavior when alloyed with aluminum.

Characterization of GLAD-grown TiCu thin films for thermo-resistive sensing applications

Titanium-copper thin films were prepared by Glancing Angle Deposition (GLAD) to assess their suitability for temperature sensors, by measuring the temperature resistance coefficient (TCR). The films were deposited with zigzag and spiral architectures, while the substrate holder was maintained at a fixed angle of α = 20º relative to the incident flux of the sputtered particles. The films were produced through DC co-deposition magnetron sputtering, using two targets of pure Ti and Cu. A wide range of compositions was achieved by varying the current on the Cu target from 6 mA up to 20 mA. The obtained architectures were stabilized through in-vacuum annealing treatments to minimize the hysteresis effects of the temperature on the electrical resistance of the films. The sheet resistance showed a direct correlation with the formation/precipitation of the Ti-Cu intermetallic phases in the film. The measured Temperature Coefficient of Resistance (TCR) values ranged from −1.08×10−3 to - 5.1×10−3 °C−1, closely resembling the absolute value of platinum's TCR (3.93×10−3 °C−1). Moreover, the elimination of hysteresis from the TCR plot and consistent results obtained during multiple cycles of heating and cooling highlight the potential of titanium copper thin films as promising alternatives for temperature sensors.

Structural and optoelectronic properties of Zn1-x-yBexMgyTe/InP quaternary alloys: A theoretical study

Density functional calculations show that designed zinc blende Zn1-x-yBexMgyTe/InP quaternary alloys are Γ-centered direct band-gap semiconductors and stable within a wide compositional range. Enhancement in the of Be and Mg compositions sum enhances lattice constant, but reduces minimum band-gap of these quaternary alloys. The Te-5p of valence to Zn-5s; Be-2p,3s; Mg-4s, 3p of conduction band HOMO-LUMO electronic excitations collectively control their optical properties. Such transitions show significant optical absorption in the ultra-violet (UV) region of the electromagnetic spectrum. Calculated optical energy-gaps of these alloys reside in the UV region. Optical energy-gap of quaternary alloy is found to be overestimated with respect to the corresponding fundamental band-gap. With enhancement in the Be and Mg compositions sum, both the fundamental band-gap and optical energy-gap exhibit blue-shift. Computed ε1 (0), n (0) and R (0) reduces with growing band-gap and vice versa. These Zn1-x-yBexMgyTe/InP semiconductor quaternary alloys with such optoelectronic features would be compatible for fabricating UV optoelectronic devices.

Order-disorder structural transition and thermal expansion properties in Ce-substituted Y2Zr2O7 system

In the pursuit of advancing inert matrix fuel (IMF) applications, zirconate pyrochlores have emerged as promising candidates for the incorporation of minor actinides and plutonium. This study employs CeO2 as a nonradioactive surrogate for PuO2 and focuses on the synthesis of cerium-substituted Y2Zr2O7 samples (Y2-xCexZr2O7, 0.0 ≤ x ≤ 2.0) through a solid-state route under both reducing and oxidizing conditions to mimic plutonium incorporation. The impact of cerium content and its valence state, which in turn is influenced by synthesis conditions, on crystal structure and phase stability has been investigated through X-ray diffraction and Raman spectroscopic studies. Samples synthesized under reduced conditions undergo a defect fluorite to pyrochlore phase transition through a biphasic mixture consisting of these two phases upon increasing Ce-substitution. Conversely, the high temperature oxidizing synthesis conditions yield a defect fluorite phase field over a wide composition range (0.0 ≤ x ≤ 1.6) and a tetragonal phase at x = 2.0. Intriguingly, pyrochlore-type phases obtained under reducing conditions transform into the metastable kappa-phases upon mild oxidation at a relatively low temperature (1073 K), as confirmed by Raman spectroscopic studies. A combination of thermo-gravimetric and Raman spectroscopic investigations confirms the complete reduction of Ce4+ to Ce3+ under reducing conditions. The lattice thermal expansion behavior has also been investigated for the defect fluorite phases, synthesized under oxidizing conditions, by means of high temperature XRD spanning the temperature range 298–1273 K. Notably, the thermal expansion of compositions exhibits an increasing trend with increasing cerium content.

Evaluating Phase Relations in Molten Oxides for Electrochemical Operating Windows for Selective Metal Reduction

AbstractMolten oxide electrolysis is a promising pathway to decarbonize primary metal production. The oxide electrolyte is less hazardous and eco‐toxic than halides (molten salt electrolysis) and, with the use of renewably generated electricity and an inert anode, oxygen is produced as a by‐product instead of CO2. Building fundamental understanding of electrolytic operating windows requires starting with simple chemistries. Here we investigate a simplified binary oxide system as an electrolyte for titanium oxide reduction to metal. The TiO2−Na2O binary system forms a eutectic, reducing the liquidus temperature over a wide composition range. FactSage 8.1 predictions suggested Ti reduction would become favorable over Na reduction for compositions greater than 0.49 mole fraction TiO2. The prediction was validated by the detection of metallic Ti after electrolysis experiments. However, the reduction efficiency was too low (0.24±0.08 % at −0.1 V vs Ti reference electrode) for the TiO2−Na2O system to be a viable industrial electrolyte for Ti production. Scoping for other binary oxide systems was performed for electrolytic production of two critical metals, tantalum and neodymium. Based on TiO2−Na2O system's predicted behavior, candidate binary oxide systems were identified that contained congruently melting line compounds flanked by eutectic reactions from the ACerS‐NIST Phase Equilibria diagrams database.

Penetration of oils into hair.

The objective of this work was to understand how triglyceride plant oils can deliver strength and softness benefits to hair by their penetration. These plant oils are complex mixtures of TAGs, so the initial studies performed were with pure TAGs and then these data compared to plant oils and their measured TAG compositions. LC-MS was used to identify the di and triglycerides in coconut oil, Camellia oleifera oil and safflower seed oil. Penetration of these plant oils and pure individual triglycerides was measured by a differential extraction method. Cross-sections of oils treated with 13C-labelled triolein were studied by NanoSIMS to visualize location of triglyceride inside hair. Fatigue strength was measured using constant stress to generate a survival distribution. Models of the lipid-rich cell membrane complex (CMC) were created with the equimolar ratio of 18-methyl-eicosanoic acid (MEAS), palmitic acid (C16:0) and oleic acid (C18:1). Penetration of the individual pure TAGs was confirmed for all chain lengths and degree of unsaturation tested with higher penetration for shorter chain lengths and unsaturated fatty acids. Detailed compositional analysis of selected plant oils showed a wide variety of TAGs and penetration was also demonstrated for these oils. NanoSIMS and modelling confirmed these TAGs are penetrating the lipid-rich CMC of hair and are interacting with the fatty acids that make up the CMC. All plant oils delivered a fatigue strength improvement by penetration into the CMC and it is proposed that these oils prevent formation and/or propagation of flaws in the CMC network that leads to breakage. Many plant oils with a wide range of triglyceride compositions can penetrate into hair and NanoSIMS data confirmed these oils partition into the lipid-rich cell membrane complex. Penetration studies of individual TAGs shown to be present in these oils confirmed TAGs of varying chain length can penetrate and there is a correlation between increased penetration efficacy and shorter chain lengths and presence of unsaturation in the fatty acid chains. All the oils studied delivered single fibre fatigue strength benefits.

Synthesis, characterization and stability of crosslinked chitosan-maltodextrin pH-sensitive nanogels

Polysaccharide-based nanogels offer a wide range of chemical compositions and are of great interest due to their biodegradability, biocompatibility, non-toxicity, and their ability to display pH, temperature, or enzymatic response. In this work, we synthesized monodisperse and tunable pH-sensitive nanogels by crosslinking, through reductive amination, chitosan and partially oxidized maltodextrins, by keeping the concentration of chitosan close to its overlap concentration, i.e. in the dilute and semi-dilute regime. The chitosan/maltodextrin nanogels presented sizes ranging from 63 ± 9 to 279 ± 16 nm, showed quasi-spherical and cauliflower-like morphology, reached a ζ-potential of +36 ± 2 mV and maintained a colloidal stability for up to 7 weeks. It was found that the size and surface charge of nanogels depended both on the oxidation degree of maltodextrins and chitosan concentration, as well as on its degree of acetylation and protonation, the latter tuned by pH. The pH-responsiveness of the nanogels was evidenced by an increased size, owed to swelling, and ζ-potential when pH was lowered. Finally, maltodextrin-chitosan biocompatible nanogels were assessed by cell viability assay performed using the HEK293T cell line.

Understanding Stabilization of Oil-in-Water Emulsions with Pea Protein─Studies of Structure and Properties.

This study investigates the stability and structure of oil-in-water emulsions stabilized by pea protein. Of the wide range of emulsion compositions explored, a region of stability at a minimum of 5% w/v pea protein and 30-50% v/v oil was determined. This pea protein concentration is more than what is needed to form a layer covering the interface. X-ray scattering revealed a thick, dense protein layer at the interface as well as hydrated protein dispersed in the continuous phase. Shear-thinning behavior was observed, and the high viscosity in combination with the thick protein layer at the interface creates a good stability against creaming and coalescence. Emulsions in a pH range from acidic to neutral were studied, and the overall stability was observed to be broadly similar independently of pH. Size measurements revealed polydisperse protein particles. The emulsion droplets are also very polydisperse. Apart from understanding pea protein-stabilized emulsions in particular, insights are gained about protein stabilization in general. Knowledge of the location and the role of the different components in the pea protein material suggests that properties such as viscosity and stability can be tailored for various applications, including food and nutraceutical products.

Geology, chronology, and temporal evolution of basaltic to dacitic magma system in Raung volcano, East Java, Indonesia

Raung volcano, located within the Ijen UNESCO Global Geopark in East Java, poses a significant risk of volcanic hazard for nearby residents and visitors. Our study provides a framework to understand Raung long-term behavior and potential hazards by examining its stratigraphy, petrology, and temporal magma evolution. The erupted products of Raung vary from lava flow, pyroclastic density current (ignimbrite and block and ash flow), scoria fall, and pumice fall. Radiocarbon dating of charcoal samples within pyroclastic deposits and weathered sediments beneath tephra fall layers yield the age of 840 ± 30 BP to 370 ± 30 BP. It provides an important chronological marker that confirms the past VEI-4 to VEI-5 eruption around 1200 to 1600 CE. Petrological and geochemical data reveal that Raung magma composition ranges from basalt to dacite (48–64 wt% SiO2) and can be classified into two distinct magma types. Type 1 magma has med-K series, low Rb/Nb, and no Eu anomaly. Type 2 magma has high-K series, high Rb/Nb, and negative Eu anomaly. Evidence of disequilibrium features (e.g., reverse zoning, sieve texture, resorption texture, orthopyroxene mantled by clinopyroxene) and mingling texture, along with geochemical features, indicate magma mixing and many episodes of mafic magma replenishment. While the current volcanic activity is dominated by andesitic Strombolian eruption, the characteristics of Raung eruptive products suggest that past major Plinian eruptions (VEI 4–5) had occurred in both andesitic and dacitic magmatic systems, with greater VEI associated with dacitic composition. The study of Raung temporal evolution documented various eruptive behaviors related to its wide range of magma composition, thus providing an essential database for hazard assessment and mitigation.

Ultrasonic pulse velocity as a non-destructive measure for the projectile impact resistance of cementitious composites across a wide range of mix compositions

This paper presents an investigation on the applicability of using ultrasonic pulse velocity (UPV) as a non-destructive measure for characterizing high velocity projectile impact (HVPI) resistance as well as physical/mechanical properties of cementitious composites across a wide range of mix compositions. Ultra-high performance concretes (UHPCs), engineered cementitious composites (ECCs), concretes, mortars and cement pastes with compressive strengths ranging from 34.2 MPa to 220.2 MPa and elastic moduli ranging from 17.1 GPa to 104.2 GPa are considered for investigation. Projectile impact resistance of cementitious composites is evaluated in terms of the depth of penetration (DOP) and equivalent crater diameter (ECD). Physical/mechanical properties, including compressive strength, static and dynamic moduli of elasticity, density, hardness, splitting tensile strength, compressive and flexural toughnesses, are investigated. The UPV is found to be a promising non-invasive and non-destructive measure for the DOP characterization, since both the UPV and DOP are governed by the weighted properties of underlying constituent materials (e.g. matrix and fine/coarse aggregate). In comparison to the DOP, the correlation between the ECD and UPV is relatively weak. The results indicate that there exists a strong correlation between the UPV and the elastic modulus/density/hardness of cementitious composites. It is also found that commonly used two-phase composite models can predict the UPV of concrete with good accuracy.

Two-phase separation facilitating the ordering of L10-FePt: experimental and thermodynamic investigation on Fe–Pt–Cu phase diagrams

The L10-FePt nanocrystals exhibit unique magnetic and catalytic properties, but suffer from the ordering difficulty. The addition of Cu can facilitate the L10-FePt ordering for some Fe–Pt–Cu alloys, however, the action mechanism is far from being well understood. In this work, a systematic study has been performed to the phase diagrams of the Fe–Pt–Cu system. The isothermal sections at 600 °C, 750 °C and 1000 °C, as well as the partial vertical sections of Fe50Pt50–Cu50Pt50 and Fe50Pt50–Cu, were constructed. An emphasis has been paid to the L10-FePt phase, which has a wide composition range with a solid solubility of Cu up to 40.0 at% at 600 °C. Its order-disorder transition temperature decreases rapidly when deviating from 54 at% Pt, but at different lower rates along (FePt)100-xCux and (Fe50-xCux)Pt50 with the increase of Cu. The ternary miscibility gap which originates from the Fe–Cu side has been studied by both experimental determinations and thermodynamic calculations. The results indicate that, at certain low temperatures, for instance 300 °C, the metastable miscibility gap can expand even up to 45 at% Pt, entering the L10-FePt phase region. An ordering transition mechanism of the L10-FePt phase stimulating by a two-phase separation was thus proposed. For a specially designed disordered Fe–Pt–Cu alloy, a metastable two-phase separation can take place firstly in the annealing process, driving the Cu atoms forming Cu-rich particles, leaving a large number of vacancies in the alloy, and consequently, accelerate the atomic diffusion and stimulate the subsequent L10 ordering transition. These results will provide a new perspective for the composition design of Fe–Pt–Cu catalysts and magnetic recording media.

Mutual Diffusivities of Mixtures of Carbon Dioxide and Hydrogen and Their Solubilities in Brine: Insight from Molecular Simulations.

H2-CO2 mixtures find wide-ranging applications, including their growing significance as synthetic fuels in the transportation industry, relevance in capture technologies for carbon capture and storage, occurrence in subsurface storage of hydrogen, and hydrogenation of carbon dioxide to form hydrocarbons and alcohols. Here, we focus on the thermodynamic properties of H2-CO2 mixtures pertinent to underground hydrogen storage in depleted gas reservoirs. Molecular dynamics simulations are used to compute mutual (Fick) diffusivities for a wide range of pressures (5 to 50 MPa), temperatures (323.15 to 423.15 K), and mixture compositions (hydrogen mole fraction from 0 to 1). At 5 MPa, the computed mutual diffusivities agree within 5% with the kinetic theory of Chapman and Enskog at 423.15 K, albeit exhibiting deviations of up to 25% between 323.15 and 373.15 K. Even at 50 MPa, kinetic theory predictions match computed diffusivities within 15% for mixtures comprising over 80% H2 due to the ideal-gas-like behavior. In mixtures with higher concentrations of CO2, the Moggridge correlation emerges as a dependable substitute for the kinetic theory. Specifically, when the CO2 content reaches 50%, the Moggridge correlation achieves predictions within 10% of the computed Fick diffusivities. Phase equilibria of ternary mixtures involving CO2-H2-NaCl were explored using Gibbs Ensemble (GE) simulations with the Continuous Fractional Component Monte Carlo (CFCMC) technique. The computed solubilities of CO2 and H2 in NaCl brine increased with the fugacity of the respective component but decreased with NaCl concentration (salting out effect). While the solubility of CO2 in NaCl brine decreased in the ternary system compared to the binary CO2-NaCl brine system, the solubility of H2 in NaCl brine increased less in the ternary system compared to the binary H2-NaCl brine system. The cooperative effect of H2-CO2 enhances the H2 solubility while suppressing the CO2 solubility. The water content in the gas phase was found to be intermediate between H2-NaCl brine and CO2-NaCl brine systems. Our findings have implications for hydrogen storage and chemical technologies dealing with CO2-H2 mixtures, particularly where experimental data are lacking, emphasizing the need for reliable thermodynamic data on H2-CO2 mixtures.

Preconditioning of mountain permafrost towards degradation detected by electrical resistivity

Warming permafrost has been detected worldwide and is projected to continue during the next century by many modelling studies. In mountain regions, this can lead to potentially hazardous impacts on short time-scales by an increased tendency for slope instabilities. However, time scales of permafrost thaw and the role of the ice content are less clear, especially in heterogeneous mountain terrain, where ice content can vary between zero and supersaturated conditions over small distances. Warming of permafrost near the freezing point shows therefore complex inter-annual behaviour due to latent heat effects during thawing and the influence of the snow-cover, which is governed by highly non-linear processes itself. Here, we demonstrate a preconditioning effect within near-surface layers in mountain permafrost that causes non-linear degradation and accelerates thaw. We hypothesise that a summer heat wave, as has occurred in the Central European summers 2003, 2015 and 2022, will enhance permafrost degradation if the active layer and the top of the permafrost layer are already preconditioned, i.e. have reduced latent heat content. This preconditioning can already be effectuated by a singular warm year, leading to exceptionally strong melting of the ground ice. On sloping terrain this ice-loss can be considered as irreversible, as large parts of the melted water will drain during the process, and an equivalent build-up of ice in cold years does not happen on similar time-scales as the melting. We propose a simple geophysical approach based on electrical resistivity tomography surveys that can assess the state of preconditioning in the absence of boreholes. In addition, we will show that resistivity data from a total of 124 permafrost sites in the Andes, Europe, and Antarctic adhere to a distinct power law behaviour between unfrozen and frozen states, which confirms the consistent electrical behaviour of permafrost and active layer materials over a wide range of landforms and material composition.

Phase equilibria of the Na2O‐TiO2‐SiO2 system between 900 and 1600°C in air

AbstractThe Na2O‐SiO2‐TiO2 system is important for the glass, ceramic, and metallurgical industries. Its features provide information on the composition and melting temperature to be utilized during the production of glass and ceramic and during the processing of TiO2‐bearing material in the metallurgical industry. The liquidus temperatures between 900 and 1600°C in the ternary system at saturation of solid SiO2, TiO2, Na2Ti6O13, Na2SiTiO5, and Na2Ti3O7 were measured using the equilibration‐quenching energy‐dispersive X‐ray spectroscopy/Electron Probe Microanalyzer technique. A wide range of liquidus compositions were obtained with Na2O between 0 and 41.7 mol% in the SiO2‐ and TiO2‐rich regions. The present study provides liquidus data at 1500 and 1600°C for the first time. Liquidus temperatures at various double saturations were also obtained in the present investigation to determine univariant lines in the phase diagram. The present experimental data were compared with previous investigations and computed phase diagrams. The data obtained in the present investigation can be employed to optimize the thermodynamic properties and phase diagrams of the Na2O‐SiO2‐TiO2 system.

Petrogenesis of Miocene volcanism in the Central Anatolia: Geochemical, isotopic and geochronological evidence

This paper presents the first 40Ar/39Ar age data, new bulk-rock major-trace element compositions and NdSr isotope geochemistry, combined with detailed geological mapping of Galatia Volcanic Province (GVP) in the northwest Central Anatolia (Turkey). Here, there are voluminous extrusive rocks in a wide compositional range: a basalt, andesite and trachyte suite, and their pyroclastic equivalents. 40Ar/39Ar dating of two whole-rock samples from the GVP yielded plateau ages of 21.76 ± 0.8 Ma and 20.97 ± 0.5 Ma, constrain the volcanic activity at ca. 21 Ma (Aquitanian). The samples show by sub-parallel light rare earth element (LREE)-enrichment and relatively flat heavy rare earth element (HREE) patterns and moderate fractionation [average (La/Yb)N = 13.5]. Their initial 87/86Sr values vary between 0.704619 and 0.704998, while initial 143/144Nd values lie between 0.512673 and 0.512755. Integration of the geochemical and geochronological with geological data we propose that the volcanic rocks in the northern area of GVP with calc-alkaline affinity were produced by a lithospheric mantle magma in an extensional setting.

The Impact of Cometary “Impacts” on the Chemistry, Climate, and Spectra of Hot Jupiter Atmospheres

Impacts from icy and rocky bodies have helped shape the composition of Solar System objects; for example, the Earth–Moon system, or the recent impact of comet Shoemaker–Levy 9 with Jupiter. It is likely that such impacts also shape the composition of exoplanetary systems. Here, we investigate how cometary impacts might affect the atmospheric composition/chemistry of hot Jupiters, which are prime targets for characterization. We introduce a parameterized cometary impact model that includes thermal ablation and pressure driven breakup, which we couple with the 1D “radiative-convective” atmospheric model ATMO, including disequilibrium chemistry. We use this model to investigate a wide range of impactor masses and compositions, including those based on observations of Solar System comets, and interstellar ices (with JWST). We find that even a small impactor (R = 2.5 km) can lead to significant short-term changes in the atmospheric chemistry, including a factor >10 enhancement in H2O, CO, and CO2 abundances, as well as atmospheric opacity more generally, and the near-complete removal of observable hydrocarbons, such as CH4, from the upper atmosphere. These effects scale with the change in atmospheric C/O ratio and metallicity. Potentially observable changes are possible for a body that has undergone significant/continuous bombardment, such that the global atmospheric chemistry has been impacted. Our works reveals that cometary impacts can significantly alter or pollute the atmospheric composition/chemistry of hot Jupiters. These changes have the potential to mute/break the proposed link between atmospheric C/O ratio and planet formation location relative to key snowlines in the natal protoplanetary disk.

A Simplified Correlation for Burning Velocity of Gaseous Fuel-Air Mixtures

Using ideas of burning velocity dependence on the adiabatic flame temperature at any mixture ratio (equivalence ratio), and the behavior of pressure and initial temperature dependences, simple correlations have been obtained for hydrocarbons and alcohols, hydrogen air as well as syngas compositions. These exploit simple behavior of the burning velocities with adiabatic flame temperature with equivalence ratio, and for a combination of equivalence ratio and a specific compositional parameter and the pressure dependence is taken with the pressure exponent as −0.3 for hydrocarbon-air and 0 for hydrogen air compositions in a mean sense since the dependence varies slightly over the other parameters like equivalence ratio and initial temperature. Observed behavior also brings out limited universality in the behavior. In the case of syngas compositions, a parameter that depends on the mixture composition that treats even carbon dioxide as an inert seems to provide reasonable predictions for a wide range of compositions. One anomaly that comes up is that methyl alcohol appears distinctly more reactive (by 15%) than methane and deserves examination since the results at higher initial temperatures seem to follow the trend noted in the general correlation.

Structural and dielectric features of (Bi0.5Na0.5)1−xBaxTiO3 lead-free ferroelectric ceramics: An approach to the phase diagram

(Bi0.5Na0.5)1−xBaxTiO3 lead-free ferroelectric ceramics were synthesized via the conventional solid-state reaction method. Structural and dielectric properties were investigated as a function of the doping concentration, considering x = 0, 2, 5, 8, 10, 12, 16, and 18 at. % Ba. The structural analyses were carried out from the x-ray diffraction technique, including the Rietveld refinement method, and Raman spectroscopy. Results confirmed the formation of the perovskite structure, revealing different crystalline symmetries, depending on the Ba2+ concentration: the single rhombohedral ferroelectric phase (R3c) for x = 0 and 2 at. %; coexistence of both rhombohedral ferroelectric (R3c) and tetragonal antiferroelectric (P4bm) phases for x = 5 at. % Ba; the single tetragonal antiferroelectric phase (P4bm) for x = 8 at. % Ba; coexistence of two tetragonal phases (antiferroelectric P4bm and ferroelectric P4mm) for x = 10 at. % Ba; and the single tetragonal ferroelectric phase (P4mm) for x = 12, 16, and 18 at. % Ba. The characteristics of the phases’ transition, investigated from dielectric analysis, revealed the presence of two dielectric anomalies, which indeed have been associated to different phases’ transitions, one of them showing relaxor-like characteristics. The obtained results offer new insights for a better understanding on the features of the phase diagram for the studied ceramic system, according to the different observed crystalline symmetries (ferroelectric and antiferroelectric) in a very wide doping concentration. In the light of the obtained results, a new phase diagram has been proposed considering a wider compositional range than those reported in the literature.

Inactivation Mechanisms of Escherichia coli in Simulants of Respiratory and Environmental Aerosol Droplets

The airborne transmission of disease relies on the ability of microbes to survive aerosol transport and, subsequently, cause infection when interacting with a host. The length of time airborne microorganisms remain infectious in aerosol droplets is a function of numerous variables. We present measurements of mass and heat transfer from liquid aerosol droplets combined with airborne survival data for Escherichia coli MRE162, an ACDP category 1 microorganism used as a model system, under a wide range of environmental conditions, droplet compositions and microbiological conditions. In tandem, these companion measurements demonstrate the importance of understanding the complex relationship between aerosol microphysics and microbe survival. Specifically, our data consist of the correlation of a wide range of physicochemical properties (e.g., evaporation rates, equilibrium water content, droplet morphology, compositional changes in droplet solute and gas phase, etc.), with airborne viability decay to infer the impact of aerosol microphysics on airborne bacterial survival. Thus, a mechanistic approach to support prediction of the survival of microorganisms in the aerosol phase as a function of biological, microphysical, environmental, and experimental (aerosol-generation and sampling) processes is presented. Specific findings include the following: surfactants do not increase bacteria stability in aerosol, while both the bacteria growth phase and bacteria concentration may affect the rate at which bacteria decay in aerosol.

Ordered phases in ternary wurtzite group-III nitrides: A first-principles study

A first-principles-based lattice model is applied to investigate the ordered phases of mixed group-III nitride ternary alloys. The model surveys the atomistic configurations with the lowest formation enthalpy for a wide range of compositions. We found novel ordered phases in wurtzite structures having specific compositions of three- and four-sevenths molar fractions of group-III cations. The configurations of group–III atoms on cation sites in those phases consist of a characteristic fragment of the ordered phases of one-third and one-half ordered phases that were previously reported. The simulation results indicate that group-III cations in ternary nitrides follow spatial positioning “atomistic distancing rules” that can be described by the pairwise interaction energy of group-III cations to realize the stabilities of the ordered structures. To minimize the formation enthalpy of a mixed crystal, the minor B, Al, Ga, and In atoms on cation sites remain neither too close to nor too distant from each other, allowing those ordered phases to be realized.