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At least 865 records · Page 48

Statistical survey of pitch angle distributions in core (0-50 eV) ions from Dynamics Explorer 1: Outflow in the auroral zone, polar cap, and cusp

Core (0-50 eV) ion pitch angle measurements from the retarding ion mass spectrometer on Dynamics Explorer 1 are examined with respect to magnetic disturbance, invariant latitude, magnetic local time, and altitude for ions H(+), He(+), O(+), M/Z = 2 (D(+) or He(++)), and O(++). Included are outflow events in the auroral zone, polar cap, and cusp, separated into altitude regions below and above 3 R(sub E). In addition to the customary division into beam, conic, and upwelling distributions, the high-latitude observations fall into three categories corresponding to ion bulk speeds that are (1) less than, (2) comparable to, or (3) faster than that of the spacecraft. This separation, along with the altitude partition, serves to identify conditions under which ionospheric source ions are gravita- tionally bound and when they are more energetic and able to escape to the outer magnetosphere. Features of the cleft ion fountain inferred from single event studies are clearly identifiable in the statistical results. In addition, it is found that the dayside pre-noon cleft is a dayside afternoon cleft, or auroral zone, becomes an additional source for increased activity. The auroral oval as a whole appears to be a steady source of escape velocity H(+), a steady source of escape velocity He(+) ions for the dusk sector, and a source of escape velocity heavy ions for dusk local times primarily during increased activity. The polar cap above the auroral zone is a consistent source of low-energy ions, although only the lighter mass particles appear to have sufficient velocity, on average, to escape to higher altitudes. The observations support two concepts for outflow: (1) The cleft ion fountain consists of ionospheric plasma of 1-20 eV energy streaming upward into the magnetosphere where high-latitude convection electric fields cause poleward dispersion. (2) The auroral ion fountain involves field-aligned beams which flow out along auroral latitude field lines; and, in addition, for late afternoon local times, they experience additional acceleration such that the ion energy distribution tends to exceed the detection range of the instrument (greater than 50-60 eV).

Giles, B. L.↗

Inference of main ion particle transport coefficients with experimentally constrained neutral ionization during edge localized mode recovery on DIII-D

Abstract The plasma and neutral density dynamics after an edge localized mode are investigated and utilized to infer the plasma transport coefficients for the density pedestal. The Lyman-Alpha Measurement Apparatus (LLAMA) diagnostic provides sub-millisecond profile measurements of the ionization and neutral density and shows significant poloidal asymmetries in both. Exploiting the absolute calibration of the LLAMA diagnostic allows quantitative comparison to the electron and main ion density profiles determined by charge-exchange recombination, Thomson scattering and interferometry. Separation of diffusion and convection contributions to the density pedestal transport are investigated through flux gradient methods and time-dependent forward modeling with Bayesian inference by adaptation of the Aurora transport code and IMPRAD framework to main ion particle transport. Both methods suggest time-dependent transport coefficients and are consistent with an inward particle pinch on the order of 1 m s −1 and diffusion coefficient of 0.05 m 2 s −1 in the steep density gradient region of the pedestal. While it is possible to recreate the experimentally observed phenomena with no pinch in the pedestal, low diffusion in the core and high outward convection in the near scrape-off layer are required without an inward pedestal pinch.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Selective Ion Enrichment and Charge Storage through Transport Hysteresis in Conical Nanopipettes

Greater selectivity and controls in the ion transport dynamics are essential in fields such as charge storage, separation, energy storage and conversion, neuromorphic computing and learning, electrochemistry, to name a few. Mechanistic insights into the intriguing hysteresis effects in the rectified electrokinetic transport through single conical nanopipettes are unveiled by combining time-resolved electroanalytical experiments with numeric simulation. Cations as counterions for surface charges are found to dominate not just the through-nanopore flux but also the hysteresis charges, that is, the net enriched or expelled charges during the transport process. Built on our earlier report on the through-nanopore ion flux dominated by counterions for surface charges, the “trapped ions” or hysteresis charges are analyzed herein. Cation selectivity is almost 100% in the hysteresis charges during the potential scans in low conductivity states driven by the combined applied and intrinsic surface electrical fields. Surprisingly, the cation selectivity in the total hysteresis charges remains high at 70–80% over a wide bulk concentration range in the high conductivity (HC) states, where higher ionic strength due to ion enrichment would decrease electrostatistic effects and thus ion selectivity. The retained high selectivity at HC is explained by the competition effects of electroosmotic flow against the co-ion migration. Furthermore, the respective cation and anion portions in the total hysteresis charges over a wide range of ionic strength and measurement conditions provide generalizable strategies for improvements in both transport throughput and selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A mission design for the Halley comet rendezvous using Ion Drive

The Ion Drive propulsion system, a derivative of the old Solar Electric Propulsion (SEP) technology is considered adequate to perform all mission objectives of a proposed Halley's comet rendezvous (scheduled for launch in 1982) except one: control of thermal energy from the concentrating solar arrays. This problem can be solved, however, by adding a separable tail probe to the baseline system. The system consists of an Ion Propulsion Module (IPM) and a Mission Module (MM). Scientific objectives include a determination of the structure of the comet nucleus, an evaluation of nucleus evolution, an assay of the comet's atmosphere and ionosphere, and a study of the interaction between the comet and the interplanetary medium. Attention is given to the navigation parameters necessary for heliocentric transfer and post-rendezvous circumnavigation of the comet.

Boain, R. J.↗

Physical, Chemical, and Mineralogical Characterizations of MSWI Ash Product and Recommendations for Downstream Processing

The primary objectives of this project are to (1) systematically characterize MSWI ash, and (2) based on characterization findings, design preliminary flowsheets for downstream processing. To achieve these objectives, a total of ten tasks were completed, including sample collection, physical separation tests, liberation tests, synthetic MSWI ash preparation, elemental composition analysis, sequential chemical extraction, mineralogical characterization, pozzolanic activity characterization, thermal stability characterization, processing flowsheet design, TEA and T2M, and project performance reporting. Many useful findings and conclusions were obtained from the exhaustive efforts of this project from several different aspects, including: a) Valuable Metals in MSWI Ash: MSWI ash contains a diverse array of valuable metals. Based on potential recoverable values, the most valuable metals present in MSWI ash include Fe, Ti, Mn, Cu, Zn, V, Co, Ni, Sr, Sn, Ag, Mo, and Sc. Some of these metals have been identified as critical minerals by DOE and DOI, suggesting that MSWI is a promising feedstock for critical mineral recovery. Noticeable graphical and seasonable variations in the valuable metal content of MSWI ash were observed. Nevertheless, it was challenging to discern any clear, definitive patterns for conclusions from those observations. Compared with bottom ash, fly ash contains more volatile metals, such as Zn and Sn, but less nonvolatile metals, such as Fe, Mn, Cu, Zn, Co, and Ni. Mineralogical analyses showed that MSWI ash contains a substantial amount of calcium minerals, such as portlandite, lime, gypsum, and calcite. In addition, it was found that different types of valuable metals often exist in the same particles. b) Physical Separation of MSWI Ash: Both dry sieving and wet sieving were performed on MSWI ash. A notable disparity in the size distribution of the same material was observed when using the two different sieving methods. The disparity is due to the agglomeration of small particles. For the valuable metals investigated, no significant enrichment in a specific size fraction was observed, suggesting that it is challenging to preconcentrate the valuable metals through size fractionation. Due to the presence of ferromagnetic materials, such as Fe, most of the materials reported to the magnetic products obtained by dry magnetic separation. However, the enrichment effect is minimal due to the existence of particle agglomerates. Density separation at a cut-off density of 2.7 SG or higher led to noticeable enrichment of selected valuable metals, particularly Ti. The unburned carbon present in MSWI ash was effectively removed by flotation using diesel as the collector. A novel reagent scheme, Na2S plus cationic collectors, that can efficiently beneficiate nonferrous metals plus Co was developed. c) Liberation Tests: The particle size of MSWI ash was effectively reduced by grinding, and as a result, the encapsulated valuable metal particles (if any) were liberated to a certain degree. However, particle size reductions did not noticeably enhance the beneficiation performance using the physical separation methods, primarily due to the inefficiency of these methods in processing fine particles and/or a possibility that insufficient liberation is not a limiting factor for achieving satisfactory physical separation performance. Valuable metals were classified into water leachable, ion-exchangeable, acid soluble, reducible, oxidable, and insoluble forms. It was found that the distributions in the different categories, i.e., the occurrence modes of the valuable metals, were not affected by the particle size. d) Leaching Characteristics of Metals from MSWI Ash: Most of the valuable metals were extracted from the fly ash samples when using 1 M HCl or HNO3 as the lixiviant. The leaching reaction is a very fast process, which can reach equilibrium within the first 5 min. The releasing of Co, Ni and Ag are sensitive to leaching temperature, a higher recovery value could be obtained when using relatively higher leaching temperatures. The leachability of the valuable metals present in MSWI bottom ash is relatively lower than that of fly ash. Leaching recoveries increased with elevations in the acid concentration. Relatively high leaching recoveries were obtained for REEs, Mn, Co, Ni, Cu, and Zn using 1 M HCl or HNO3 as the lixiviant. Elevations in the reaction temperature noticeably increased the leachability of the valuable metals, whereas the leachability was barely influenced by oxidizing and reducing agents. Similar to fly ash, leaching valuable metals from bottom ash is a rapid process, with most of the leaching reaction completed within the first 5 minutes. e) Combusted iPhones: The original structure of iPhones was remained after treating at 400 ºC and 600 ºC, while after being treated at 800℃, the screen bent, and the back cover of iPhone melted. Increasing the combustion temperature to 1000℃, the screen scattered, and most of the components turned into ashes. Combustion enhanced the leachability of REEs, while the leachability of the other valuable metals, except for Zn, was barely affected. Most of the REEs present in the original iPhones occurred as oxidizable forms. With elevations in the combustion temperature up to 600 ºC, the oxidizable REEs were transformed to acid soluble forms. However, further elevations in temperature resulted in decreases in the acid soluble fraction and corresponding increases in the reducible and oxidizable forms. Additionally, combustion temperature also significantly altered the occurrence modes of other metals present in the iPhones. f) Synthetic MSWI Ash: It was found that in the absence of hydrogen peroxide, all the elements except for Si were leached to certain degrees. It is noteworthy that approximately 80% of Zn was leached with 1.2 M HCl. When hydrogen peroxide was added to the reaction system, noticeable increases in the leaching recovery of Fe, Mn, Co, Ni, and Cu were observed. The leaching recovery of Al and Si was barely affected by adding hydrogen peroxide. These results suggested that the majority of Zn in the synthetic MSWI ash existed as metal oxide, a portion of Fe, Mn, Co, Ni, and Cu existed as metal oxide, and Al and Si are associated with glasses which are difficult to leach. Additionally, the remaining Fe, Mn, Co, Ni, and Cu in the metallic form were efficiently oxidized in the presence of hydrogen peroxide. g) Pozzolanic Activity and Thermal Stability of MSWI Ash: MSWI fly ash has higher pozzolanic activity compared to the bottom ash sample, which indicates that the fly ash sample consumed more portlandite because of its smaller particle size as reactivity fundamentally relates to reaction surface area. However, after the recovery of valuable elements, the pozzolanic activity of both the valuable elements fraction and the less valuable elements-rich products decreased significantly, which means that the valuable elements recovery lowers the Ca(OH)2 consumption, thus leading to the low activity of SCM. h) Flowsheet Design for Metal Recovery from MSWI Ash: Based on the results of the comprehensive physical separation and acid leaching tests, circuits that enable the beneficiation of the valuable metals were developed. In these circuits, the valuable metals are recovered into nonferrous, ferrous, and other valuable metal concentrates, which are processed separately in the acid leaching step. The subsequent separation and purification steps are simplified due to the physical beneficiation step. In addition, the overall recovery cost is reduced since physical beneficiation is much cheaper compared with chemical processing. Using different technologies, such as selective precipitation and solvent extraction, a comprehensive hydrometallurgical circuit was designed, and compounds of Cu, Zn, Mn, Co, and Ni with a purity close to or even higher than 95% were successfully generated.

36 MATERIALS SCIENCE↗

Ion beam divergence characteristics of two-grid accelerator systems

The first comprehensive experimental investigation of two-grid accelerator systems is presented. A wide range of geometrical grid parameters and grid set operating conditions were investigated for their effect on ion beam divergence. Ion beam divergence was found to depend most strongly on normalized perveance per hole, grid separation ratio, net-to-total accelerating voltage ratio, and discharge-to-total accelerating voltage ratio variations. The graphical results contained herein provide guidelines for the design of ion accelerator systems. A general ion beam divergence angle correlation was developed to permit approximate beam divergence estimates, at parametric values other than those tested, of present grid set designs. Although argon was the main test gas used in this study, it is shown that the results are applicable to other propellants as well.

Aston, G.↗

Removal of Iron from Pyrite-Rich Coal Refuse by Calcination and Magnetic Separation for Hydrometallurgical Extraction of Rare Earth Elements

In the metallurgical extraction of rare earth elements (REEs), the ratio of contaminant ions to REEs in the leachate dictates the cost and operational efficiency of the downstream processes. The current study investigated the potential iron contamination removal from the feed to the hydrometallurgical process by calcination followed by magnetic separation. The 2.20 specific gravity sink fraction of Baker coal seam coarse refuse was pulverized to finer than 180 μm, calcined at various temperatures, and separated into magnetic and non-magnetic fractions using a wet high-intensity magnetic separator at different field strengths. The untreated feed, calcined products, and their subsequent magnetic and non-magnetic fractions were subjected to acid leaching tests with 1.2 M sulfuric acid at 75 °C and 1% w/v solids concentration. The recovery of light and heavy rare earth elements (LREEs and HREEs, respectively) along with the concentration of common contaminant ions (Al, Ca, and Fe) were measured as output variables. The weight percent of magnetic material was maximized at approximately 29% by calcination at a temperature of 400 °C. Magnetic removal of this fraction using a field strength of 1.15 Tesla resulted in the rejection of 81% of the iron. Leaching of the magnetic fraction provided significantly higher Fe recovery relative to untreated feed material and the non-magnetic fraction. The non-magnetic fraction was subsequently calcined at 600 °C to dehydroxylate the clays and released the REE minerals in the same manner as the treatment of the original coarse refuse material. A comparison of the leachate elemental concentrations resulting from the leaching of both the calcined non-magnetic and original coarse refuse showed only a slight reduction in the iron content from the non-magnetic material. This finding combined with the REE loss in the magnetic fraction resulted in the conclusion that the magnetic removal step was unfavorable.

58 GEOSCIENCES↗

Momentum transfer and plasma rotation caused by destabilized eigenmodes in tokamaks

In this work, the influence of magnetohydrodynamic eigenmodes destabilized by energetic ions on the momentum of these ions and concomitant sheared plasma rotation are studied. Two mechanisms affecting rotation are revealed: (i) spatial channelling (SC) – radially separated emission and absorption of the momentum; (ii) mode induced redistribution (MIR) across the magnetic field of the momentum of energetic ions. Forces arising during SC and MIR produce both toroidal and poloidal rotations. In addition, the momentum emission during SC leads to a radial flux of fast ions and generation of a radial electric field. Using the developed theory, estimates were made for the ITER (International Thermonuclear Experimental Reactor) 15 MA baseline scenario. They show that a global toroidicity-induced Alfvén eigenmode destabilized by alpha particles and neutral beam injection can result in significant radial electric field and forces applied to plasma. However, available data are not sufficient for a reliable prediction of the effects of SC and MIR in ITER. In general, one can expect that sheared rotation arising after destabilization of Alfvén modes and fast magnetoacoustic modes by energetic ions will tend to suppress the turbulence and improve plasma performance. The importance of plasma rotation is supported, in particular, by the fact that during the JET DTE1 experimental campaign the best parameters were achieved in a deuterium–tritium discharge where the rotation frequency was largest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Assessment of DFT methods for the prediction of detachment energies and electronic structures of complex and multiply charged anions

Here, in this work, we assess the ability of different density functional theory methods to reproduce the vertical/adiabatic detachment energies (VDEs/ADEs) of a series of 40 anions, including monoanion versus multiply charged anions (MCAs) and covalent versus noncovalent interaction. The statistical analysis of errors is firstly performed by comparing the theoretical values with the experimental benchmark data obtained from the negative ion photoelectron spectroscopy (NIPES). The proposed optimally tuned range-separated (OTRS) functionals are proved to not only well reproduce the experimental VDEs/ADEs, but also simulate experimental NIPES. The result implies a more serious issue of delocalization error for MCAs and a balanced description of electron-rich/- deficient region of anions is necessary. The radius of the spherically symmetric average electron localization function (ELF) region is demonstrated as a useful descriptor for the characterization of electronic structure of anionic systems and a quasilinear fitting model is proposed to efficiently obtain their OTRS parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Root carbon interation with soil minerals is dynamic, leaving a legacy of microbially derived residues

Minerals preserve the oldest most persistent soil carbon, and mineral characteristics appear to play a critical role in the formation of soil organic matter (SOM) associations. To test the hypothesis that carbon source and soil microorganisms also influence mineral-SOM associations, we incubated permeable minerals bags in soil microcosms with and without plants, in a 13CO2 labelling chamber. Mineral bags contained quartz, ferrihydrite, kaolinite, or native soil minerals isolated via density separation. Using 13C-NMR, FTICR-MS, and lipidomics, we traced plant-derived carbon onto minerals harvested from microcosms at three plant growth stages, characterizing total carbon, 13C enrichment, and SOM chemistry. While C accumulation was rapid and mineral-dependent, the accumulated amount was not significantly affected by the presence of plant roots. However, the rhizosphere did shape the chemistry of mineral-associated SOM. Minerals incubated in the rhizosphere were associated with a more diverse array of compounds with different C functional groups (carbonyl, aromatics, carbohydrates, lipids) than minerals incubated in a bulk soil control. These diverse rhizosphere-derived compounds may represent a “transient fraction” of mineral SOM, rapidly exchanging with mineral surfaces. Our results also suggest that many of the lipids which persist on minerals are microbially-derived with a large fraction of fungal lipids.

Rhizosphere, soil organic matter, grassland, 13C-N↗

Nonlinear kinetic simulation study of the ion–ion streaming instability in single- and multi-ion species plasmas

The nonlinear evolution of the ion–ion streaming instability (IISI) is studied using numerical techniques novel to this problem that afford direct insight into the evolution of the particle distributions of each species. Here, during the linear phase of the instability, we demonstrate quantitative agreement with linear kinetic theory. Subsequently, the electrostatic field generated by the IISI causes ring-like velocity distributions of ions to form that are both heated and slowed to varying degrees relative to their initial flows. Due to variation in the trapping conditions for ion species of differing charge-to-mass ratio, when flows of multiple species interact, the nonlinear evolution of each species can be starkly different: we show a case where a lighter ion species is completely stopped by a heavier ion species via the IISI alone (i.e., without collisions) and, for the first time, demonstrate how the IISI can introduce a relative flow between ion species that initially have the same flow velocities, thereby separating them.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts

In this work, we present NENCI-2021, a benchmark database of ~8000 Non-Equilibirum Non-Covalent Interaction energies for a large and diverse selection of intermolecular complexes of biological and chemical relevance. To meet the growing demand for large and high-quality quantum mechanical data in the chemical sciences, NENCI-2021 starts with the 101 molecular dimers in the widely used S66 and S101 databases and extends the scope of these works by (i) including 40 cation–π and anion–π complexes, a fundamentally important class of non-covalent interactions that are found throughout nature and pose a substantial challenge to theory, and (ii) systematically sampling all 141 intermolecular potential energy surfaces (PESs) by simultaneously varying the intermolecular distance and intermolecular angle in each dimer. Designed with an emphasis on close contacts, the complexes in NENCI-2021 were generated by sampling seven intermolecular distances along each PES (ranging from 0.7× to 1.1× the equilibrium separation) and nine intermolecular angles per distance (five for each ion–π complex), yielding an extensive database of 7763 benchmark intermolecular interaction energies (E int ) obtained at the coupled-cluster with singles, doubles, and perturbative triples/complete basis set [CCSD(T)/CBS] level of theory. The E int values in NENCI-2021 span a total of 225.3 kcal/mol, ranging from -38.5 to +186.8 kcal/mol, with a mean (median) E int value of -1.06 kcal/mol (-2.39 kcal/mol). In addition, a wide range of intermolecular atom-pair distances are also present in NENCI-2021, where close intermolecular contacts involving atoms that are located within the so-called van der Waals envelope are prevalent—these interactions, in particular, pose an enormous challenge for molecular modeling and are observed in many important chemical and biological systems. A detailed symmetry-adapted perturbation theory (SAPT)- based energy decomposition analysis also confirms the diverse and comprehensive nature of the intermolecular binding motifs present in NENCI-2021, which now includes a significant number of primarily induction-bound dimers (e.g., cation–π complexes). NENCI-2021 thus spans all regions of the SAPT ternary diagram, thereby warranting a new four-category classification scheme that includes complexes primarily bound by electrostatics (3499), induction (700), dispersion (1372), or mixtures thereof (2192). A critical error analysis performed on a representative set of intermolecular complexes in NENCI-2021 demonstrates that the E int values provided herein have an average error of ±0.1 kcal/mol, even for complexes with strongly repulsive E int values, and maximum errors of ±0.2–0.3 kcal/mol (i.e., ~±1.0 kJ/mol) for the most challenging cases. For these reasons, we expect that NENCI-2021 will play an important role in the testing, training, and development of next-generation classical and polarizable force fields, density functional theory approximations, wavefunction theory methods, and machine learning based intra- and inter-molecular potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Long-lived isomeric states and quasiparticle band structures in neutron-rich 162,164 Gd nuclei from β decay

Neutron-rich nuclei 162,164 Eu were produced by bombarding a proton beam on a 238 U target at the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory and mass separating the 162,164 Eu products. New level schemes and new γ-ray transitions of the daughters 162,164 Gd were identified from β-decay spectroscopy studies. Additionally, half-lives of the 162,164 Eu were remeasured to clarify the previous ambiguous results. Two quasiparticle band structures were built and compared with neighboring nuclei. The β and γ bands were extended in 162 Gd and a γ band was extended in 164 Gd. Half-lives of the isomeric states at (6 - ) 1449 keV in 162 Gd and (4 - ) 1096 keV in 164 Gd were measured to be 99(3) μs and 0.56(3) μs, respectively. Projected shell model calculations were performed and found to be in good agreement with all of the experimental data.

150 ≤ A ≤ 189↗

Nonequilibrium effects in high-gain inertial confinement fusion

Recent experimental demonstrations of ignition and target gain in inertial confinement fusion (ICF) have stimulated interest in exploring the fundamental physics of violent deuterium-tritium (DT) burn in high-gain ICF targets. A significant DT-burn fraction is a necessary condition for high energy gain and large neutron yields (>100MJ). Using classical molecular-dynamics (MD) simulations and a hybrid fluid-kinetic model, we examine how a large fraction of low-energy 𝛼 particles can kick D and T ions out of equilibrium in high-gain ICF targets. The MD results suggest that (1) temperatures of 𝑇 𝐷 and 𝑇 𝑇 can differ by as much as ∼20% of their mean temperature and (2) the deviation of the DT energy distribution from the Maxwell-Boltzmann function can exceed ∼30%. Some of these MD observations, such as the preferential heating of D ions by low-energy 𝛼 particles and the temperature separation, can be explained by a proposed hybrid fluid-kinetic model. Furthermore, the implication of such nonequilibrium effects on the DT reactivity is also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗

Inverse Compton Cooling in the Coronae of Simulated Black Hole Accretion Flows

Here we present a formulation for a local cooling function to be employed in the diffuse, hot corona region of 3D GRMHD simulations of accreting black holes. This new cooling function calculates the cooling rate due to inverse Compton scattering by considering the relevant microphysics in each cell in the corona and approximating the radiation energy density and Compton temperature thereby integrating over the thermal seed photon flux from the disk surface. The method either assumes the ion and electron temperatures are equal (1T) or calculates them separately (2T) using an instantaneous equilibrium approach predicated on the actual relevant rate equations (Coulomb and Compton). The method is shown to be consistent with a more detailed ray-tracing calculation where the bulk of the cooling occurs, but is substantially less costly to perform. As an example, we apply these methods to a harm3d simulation of a 10M⊙, non-spinning black hole, accreting at nominally 1% the Eddington value. This new approach leads to radiative efficiency values sime65% above Novikov–Thorne, with a larger fraction of total cooling in the corona as compared to simulations performed using the original target-temperature cooling function. Time-averaged post-processing reveals that the continuum spectral observations predicted from these simulations are qualitatively similar to actual X-ray binary data, especially so for the 1T approach, which yields a harder power-law component (Γ = 2.25) compared to the 2T version (Γ = 2.53).

79 ASTRONOMY AND ASTROPHYSICS↗

Design Considerations for Practical Li-S Battery Components for Electric Aviaiton

The development of high-energy, high-safety, and high-power batteries beyond electric automobile requirements is vital for future electric aviation applications. The transition to non-volatile solid-state electrolytes (SSE) promises many advantages over traditional flammable liquid electrolytes, and may also be an enabling technology for next generation chemistries. However, significant manufacturing challenges must be overcome before the adoption of such technology. Electrolytes developed in this study were produced as sulfide-polymer composites with densified thicknesses between 20-30 microns using a tape-casting technique and elastomer binder [1]. The composites were determined to retain reasonable ionic conductivity with improved flexibility and scalability critical for practical manufacturing of such cells. Films were produced 10-15 times thinner than comparable bulk powder electrolytes and within the range of commercial polyolefin separators (25 micron) used in commercial liquid containing lithium-ion cells. Composite conductivities were maintained above 0.2mS/cm, which holds promise for future electric aviation applications. Processing techniques are investigated to further improve electrochemical performance.

battery↗

Fabrication of Solid-State Li-S Battery Components for Electric Aviation

The development of high-energy, high-safety, and high-power batteries beyond electric automobile requirements is vital for future electric aviation applications. The transition to non-volatile solid-state electrolytes (SSE) promises many advantages over traditional flammable liquid electrolytes, and may also be an enabling technology for next generation chemistries. However, significant manufacturing challenges must be overcome before the adoption of such technology. Electrolytes developed in this study were produced as sulfide-polymer composites with densified thicknesses between 20-30 microns using several processing techniques [1]. Ionic conductivity and lithium metal compatibility for the composites were compared and shown to retain reasonable ionic conductivity with improved flexibility and scalability which identifies a critical path for the production of practical solid-state batteries. Films were produced 10-15 times thinner than comparable bulk cold pressed powder electrolytes and achieved thicknesses comparable to commercial polyolefin separators (25 micron) used in commercial liquid containing lithium-ion cells. Composite conductivities were maintained above 0.2mS/cm, which holds promise for future electric aviation applications. Processing techniques are investigated to further improve electrochemical performance.

battery↗