Single and binary ion sorption equilibria of monovalent and divalent ions in commercial ion exchange membranes
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Alloy oxide heterostructures are essential for a wide variety of energy applications, including anticorrosion coatings, bifunctional catalysis, energy storage, as well as emerging platforms for multilevel nonvolatile memory and neuromorphic devices. The key role played by oxide composition, density, and stoichiometry in governing electrochemical reactions, interface structure, and ionic transport in alloy oxides remains largely unknown. This is primarily due to the lack of variable charge interatomic potential models that can adequately describe the various atomic/ionic interactions in alloy oxides within a unified framework. Here, we introduce a charge transfer ionic potential (CTIP) model for Cu/Hf/O alloy system and demonstrate its ability to accurately capture the complex potential energy surface owing to dynamically varying interactions, including metallic (Cu/Hf), ionic (Cu/Hf/Ox), mixed environment (interfaces). We leverage supervised machine learning methods powered by genetic algorithms coupled with local simplex optimization to efficiently navigate through a high-dimensional parameter space and identify an optimum set of an independent set of CTIP parameters. We train our model against an extensive first-principles based data set that includes lattice constants, cohesive energies, equations of state, and elastic constants of various experimentally observed polymorphs of hafnia, copper oxide, hafnium, as well as copper. Our machine-learned CTIP model captures the structure, elastic properties, thermodynamics, and energetic ordering of various polymorphs. It also accurately predicts the surface properties of both oxides and their metals. To demonstrate the suitability of our CTIP model for investigating dynamic processes, we employed it to identify the atomistic scale mechanisms associated with the initial nanoscale oxidation and surface oxide growth on Cu-doped hafnia surfaces. Here, our machine-learned CTIP model can be used to probe the dynamic response of Cu/Hf/O alloy interfaces subjected to external stimuli (e.g., electric field, pressure, temperature, strain, etc.) and a variety of atomistic phenomena including the dynamics of switching in emerging neuromorphic platforms.
Inhomogeneous chemical segregation to grain boundaries in nanocrystalline metals can lead to a new toughening mechanism called compositional crack arrest.
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A literature review was conducted to identify experiments on various scales of biomass combustion specific to circulating fluidized bed (CFB) combustors. Typical feedstock and inert bed material characteristics for biomass combustion in a CFB were gathered. This information was used to design laboratory-scale, non-reacting experiments on biomass-inert bed material mixtures in a 1-in. cylindrical test rig in the Multiphase Flow Analysis Laboratory (MFAL) in Morgantown, WV. The biomass chosen was a hardwood. Pellets from the hardwood were milled and sieved to obtain three size ranges—small, medium, and large. Three mass loadings of each of the biomass samples were fluidized with glass beads as the inert bed material to study the mixing characteristics under varying fluidizing gas velocities. Hydrodynamic data including pressure drop measurements at select vertical locations and video recordings of the mixture behavior were generated in this effort.
We report the first confirmation of a hot Jupiter discovered by the Transiting Exoplanet Survey Satellite (TESS) mission: HD 202772A b. The transit signal was detected in the data from TESS Sector 1, and was confirmed to be of planetary origin through radial velocity (RV) measurements. HD 202772A b is orbiting a mildly evolved star with a period of 3.3 days. With an apparent magnitude of V = 8.3, the star is among the brightest and most massive known to host a hot Jupiter. Based on the 27 days of TESS photometry and RV data from the CHIRON, HARPS, and Tillinghast Reflector Echelle Spectrograph, the planet has a mass of 1.017{sub −0.068}{sup +0.070} M{sub J} and radius of 1.545{sub −0.060}{sup +0.052} R{sub J}, making it an inflated gas giant. HD 202772A b is a rare example of a transiting hot Jupiter around a quickly evolving star. It is also one of the most strongly irradiated hot Jupiters currently known.
In line with the specified objectives, a Bridgman-type growth configuration in which unavoidable end effects - conventionally leading to growth interface relocation - are compensated by commensurate input-power changes is developed; the growth rate on a microscale is predictable and unaffected by changes in heat transfer conditions. To permit quantitative characterization of the growth furnace cavity (hot-zone), a 3-D thermal field mapping technique, based on the thermal image, is being tested for temperatures up to 1100 C. Computational NIR absorption analysis was modified to now permit characterization of semi-insulating single crystals. Work on growth and characterization of bismuth-silicate was initiated. Growth of BSO (B12SiO20) for seed material by the Czochralski technique is currently in progress. Undergraduate research currently in progress includes: ground based measurements of the wetting behavior (contact angles) of semiconductor melts on substrates consisting of potential confinement materials for solidification experiments in a reduced gravity environment. Hardware modifications required for execution of the wetting experiments in a KC-135 facility are developed.
Extremely massive stars (50M and above) are exceedingly rare in the local Universe but are believed to have composed the entire first generation of stars, which lived fast, died young and left behind the first generation of black holes and set the stage for the formation of lower mass stars suitable to support life. There are significant uncertainties about how this happened (and how it still happens), mostly due to our poor knowledge of how stars change mass as they evolve. Extremely massive stars give mass back to the ISM via strong radiatively-driven winds and sometimes through sporadic eruptions of the most massive and brightest stars. Such mass loss plays an important role in the chemical and dynamical evolution of the local interstellar medium prior to the supernova explosion. Below we discuss how high energy thermal (and, in some cases, non-thermal) emission, along with modern simulations in 2 and 3 dimensions, can be used to help determine a physically realistic picture of mass loss in a well-studied, mysterious system.
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We report the identification of five short-period variables near the center of the metal-rich globular cluster M71. Our observations consist of multiepoch VI charge coupled device (CCD) images centered on the cluster and covering a 6.3 min x 6.3 min field. Four of these variables are contact eclipsing binaries with periods between 0.35 and 0.41 days; one is a detached or semidetached eclipsing binary with a period of 0.56 days. Two of the variables were first identified as possible eclipsing binaries in an earlier survey by Hodder et al. (1992). We have used a variety of arguments to conclude that all five binary stars are probable members of M71, a result that is consistent with the low number (0.15) of short-period field binaries expected along this line of sight. Based on a simple model of how contact binaries evolve from initially detached binaries, we have determined a lower limit of 1.3% on the frequency of primordial binaries in M71 with initial orbital periods in the range 2.5 - 5 days. This implies that the overall primordial binary frequency, f, is 22(sup +26)(sub -12)% assuming df/d log P = const ( the 'flat' distribution), or f = 57(sup +15)(sub -8)% for df/d log P = 0.032 log P + const as observed for G-dwarf binaries in the solar neighborhood (the 'sloped' distribution). Both estimates of f correspond to binaries with initial periods shorter than 800 yr since any longer-period binaries would have been disrupted over the lifetime of the cluster. Our short-period binary frequency is in excellent agreement with the observed frequency of red-giant binaries observed in globulars if we adopt the flat distribution. For the sloped distribution, our results significantly overestimate the number of red-giant binaries. All of the short-period M71 binaries lie within 1 mag of the luminosity of the cluster turnoff in the color-magnitude diagram despite the fact we should have easily detected similar eclipsing binaries 2 - 2.5 mag fainter than this. We discuss the implications of this on our estimates of the binary frequency in M71 and on the formation of blue stragglers.
The accretion disks that fuel active galactic nuclei (AGNs) may house numerous stars and compact objects, formed in situ or captured from nearby star clusters. Embedded neutron stars and black holes may form binaries and eventually merge, emitting gravitational waves detectable by LIGO/VIRGO. AGN disks are a particularly promising environment for the production of high-mass gravitational-wave events involving black holes in the pair-instability mass gap, and may facilitate electromagnetic counterparts to black hole binary mergers. However, many orders of magnitude separate the typical length scales of binary formation and those on which gravitational waves can drive binary inspirals, making binary mergers inside the disk uncertain. Previous hydrodynamical simulations of binaries have either been restricted to two dimensions entirely, or focused on binaries aligned with the midplane of the disk. Herein we present the first three-dimensional, high-resolution, local-shearing-box, inviscid hydrodynamical simulations of disk-embedded binaries over a range of orbital inclinations. We find that retrograde binaries can shrink up to 4 times as quickly as prograde binaries, and that all binaries not perfectly aligned (or anti-aligned) with the AGN disk are driven into alignment. An important consequence of this is that initially retrograde binaries will traverse the inclinations where von Zeipel–Lidov–Kozai oscillations can drive binary eccentricities to large values, potentially facilitating mergers. We also find that interactions with the AGN disk may excite eccentricities in retrograde binaries and cause the orbits of embedded binaries to precess.
This research includes theoretical studies of the formation and evolution of five types of interacting binary systems. Our main focus has been on developing a number of comprehensive population synthesis codes to study the following types of binary systems: (i) cataclysmic variables (#3, #8, #12, #15), (ii) low- and intermediate-mass X-ray binaries (#13, #20, #21), (iii) high-mass X-ray binaries (#14, #17, #22), (iv) recycled binary millisecond pulsars in globular clusters (#5, #10, #ll), and (v) planetary nebulae which form in interacting binaries (#6, #9). The numbers in parentheses refer to papers published or in preparation that are listed in this paper. These codes take a new unified approach to population synthesis studies. The first step involves a Monte Carlo selection of the primordial binaries, including the constituent masses, and orbital separations and eccentricities. Next, a variety of analytic methods are used to evolve the primary star to the point where either a dynamical episode of mass transfer to the secondary occurs (the common envelope phase), or the system evolves down an alternate path. If the residual core of the primary is greater than 2.5 solar mass, it will evolve to Fe core collapse and the production of a neutron star and a supernova explosion. In the case of systems involving neutron stars, a kick velocity is chosen randomly from an appropriate distribution and added to the orbital dynamics which determine the state of the binary system after the supernova explosion. In the third step, all binaries which commence stable mass transfer from the donor star (the original secondary in the binary system) to the compact object, are followed with a detailed binary evolution code. Finally, we include all the relevant dynamics of the binary system. For example, in the case of LMXBs, the binary system, with its recoil velocity from the supernova explosion, is followed in time through its path in the Galactic potential. For our globular cluster study, detailed three-body calculations are used to follow the interactions of the binary with passing field stars.
The accretion disks that power active galactic nuclei (AGN) are thought to house populations of stars and compact objects; after forming binaries these compact objects may merge, begetting gravitational waves (GWs) such as those detected by LIGO and VIRGO. We present a comprehensive study of the early evolution of binaries within AGN disks as their orbits are influenced by the surrounding gas, focusing on eccentric and unequal-mass binaries. Nearly equal-mass binaries behave similarly to their equal-mass counterparts: Prograde binaries inspiral, albeit somewhat slowly, and have their eccentricities damped; retrograde binaries inspiral ∼2–3 times faster than their prograde counterparts, and those with near-equal masses are driven quickly toward near-unity eccentricities. However, the primaries in retrograde binaries with mass ratios of m 2 /m 1 ≲ 0.4 experience significantly weaker headwinds and retain substantial accretion disks that help damp binary eccentricities, slowing binary inspirals. Additionally, we find that while accretion drives prograde binaries toward equal masses thanks to the exchange of material between the primary and secondary accretion disks, retrograde binaries are driven slowly toward more extreme mass ratios. Prograde binaries, and generally those with low mass ratios, likely accrete for multiple e-folding timescales before merger. On the other hand, high-mass-ratio retrograde binaries may merge before accreting substantially, potentially approaching merger with detectable eccentricity. Future ground-based GW observatories, with their broader frequency coverage, should be particularly useful for studying these populations.