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Understanding the L-H isotope effect at the DIII-D tokamak and advancements in synthetic turbulence diagnostics

Abstract It is determined that while heat flux differences between hydrogen and deuterium isotope experiments result from natural differences in carbon impurity content at DIII-D, it is not the origin of the low to high confinement mode (L-H) transition isotope effect. More specifically, a two times larger edge radial electric field in hydrogen compared to deuterium is uncovered and believed to play an important role. The origin of this radial electric field difference is determined to have two possible origins: differences in poloidal rotation and turbulent Reynolds stress in the closed field line region, and increased outer strike point temperatures and space potentials on open field lines. Experimental observations from both profile and turbulence diagnostics are supported by nonlinear gyrokinetic simulations using the code CGYRO. Simulations illustrated heat transport isotope effects in the plasma edge and shear layer resulting from differences in impurity content, electron non-adiabaticity, and main ion mass dependent E × B shear stabilization. Turbulence prediction comparisons from flux-matched CGYRO simulations to experimental measurements including electron temperature, density and velocity fluctuations are found to be in good agreement with available data. A dedicated DIII-D experiment in hydrogen was performed to seed more carbon than naturally occurring, to match deuterium experiments, and possibly reduce the L-H power threshold based on gyro-kinetic predictions. To our surprise, while ion temperature gradient (ITG) turbulence was stabilized, nodiscernible change in L-H power threshold were observed in these special hydrogen experiments. In particular, it is noticed that the edge radial electric field and Reynolds stress were observed as nearly unchanging in the presence of ITG stabilization. These experimental data have enabled a more comprehensive picture of the multitude of isotope effects at play in fusion experiments, and the important potential connection between the confined and unconfined plasma regions in regulating L-H transition dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Magnetic reconnection in incompressible fluids

The paper investigates the dynamical relaxation of a disturbed X-type magnetic neutral point in a periodic geometry, with an ignorable coordinate, for an incompressible fluid. It is found that the properties of the current sheet cannot be understood in terms of steady state reconnection theory or more recent linear dynamical solutions. Accordingly, a new scaling law for magnetic reconnection is presented, consistent with fast energy dissipation (i.e., the dissipation rate at current maximum is approximately independent of magnetic diffusivity (eta)). The flux annihilation rate, however, scales at eta exp 1/4, faster than the Sweet-Parker rate of sq rt eta but asymptotically much slower than the dissipation rate. These results suggest a flux pile-up regime in which the bulk of the free magnetic energy is released as heat rather than as kinetic energy of mass motion. The implications of our results for reconnection in the solar atmosphere and interior are discussed.

Deluca, Edward E.↗

Micro-spec: an Integrated Direct-detection Spectrometer for Far-infrared Space Telescopes

The far-infrared and submillimeter portions of the electromagnetic spectrum provide a unique view of the astrophysical processes present in the early universe. Our ability to fully explore this rich spectral region has been limited, however, by the size and cost of the cryogenic spectrometers required to carry out such measurements.Micro-Spec (μ-Spec) is a high-sensitivity, direct-detection spectrometer concept working in the 450-1000 (micrometers) wavelength range which will enable a wide range of flight missions that would otherwise be challenging due tothe large size of current instruments with the required spectral resolution and sensitivity. The spectrometer design utilizes two internal antenna arrays, one for transmitting and one for receiving, superconducting microstrip transmission lines for power division and phase delay, and an array of microwave kinetic inductance detectors (MKIDs) to achieve these goals. The instrument will be integrated on a approximately 10 sq cm silicon chip and can therefore become an important capability under the low background conditions accessible via space and high-altitude borne platforms. In this paper, an optical design methodology for micro-Spec is presented, with particular attention given to its two-dimensional diffractive region, where the light of different wavelengths is focused on the different detectors. The method is based on the maximization of the instrument resolving power and minimization of the RMS phase error on the instrument focal plane. This two-step optimization can generate geometrical configurations given specific requirements on spectrometer size, operating spectral range and performance.Two point designs with resolving power of 260 and 520 and an RMS phase error less than approximately 0.004 radians were developed for initial demonstration and will be the basis of future instruments with resolving power up to about 1200.

Far-infrared↗

Elucidating the Impact of Cis – Trans Organic Structure Directing Agent Isomer Ratios on the Aluminum Distribution Within SSZ-39

Despite their widespread use, the mechanisms governing the synthesis of zeolite catalysts are still poorly understood. A notable example of this problem is the uncertainty surrounding the influence of synthesis conditions on the placement of Al atoms in the zeolite framework which determines the active sites available for catalytic species. In this work, the role of the cis to trans isomer ratio of the OSDA N,N-dimethyl-3-5-dimethylpiperidinium on the energetics of 26 distinct Al pair distributions in SSZ-39 is examined both in the presence and absence of Na using density functional theory calculations. The initial orientation of the OSDA was found to have a significant impact on the final energies present, necessitating the screening of a large number of initial orientations with force field calculations and single point DFT calculations. Ground state energies were found to vary significantly with the ratio of cis to trans OSDAs with a Boltzmann distribution revealing the most likely Al pair distributions shift from sharing the same 8 membered rings to sharing the same double six membered rings to having no shared subunits as one increases the amount of cis OSDA present within the framework. The presence of Na was found to favor Al pair distributions where both Als occupied the same 6-membered ring. When an implicit solvent model was used to evaluate ground state energies the ideal Na sites shifted from 6-membered rings to empty SSZ-39 cages while OSDA positions and orientations remained largely the same. To provide insight on how kinetic factors may influence Al distributions, formation energies we calculated for connected double six membered rings. Further, these formation energies revealed a preference for Al pairs to occupy the same 4-membered ring which indicates kinetic and thermodynamic control may lead to different Al distributions in SSZ-39.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Flight test results for the Daedalus and Light Eagle human powered aircraft

The results of the flight test program of the Daedalus and Light Eagle human powered aircraft in the winter of 1987/88 are given. The results from experiments exploring the Light Eagle's rigid body and structural dynamics are presented. The interactions of these dynamics with the autopilot design are investigated. Estimates of the power required to fly the Daedalus aircraft are detailed. The system of sensors, signal conditioning boards, and data acquisition equipment used to record the flight data is also described. In order to investigate the dynamics of the aircraft, flight test maneuvers were developed to yield maximum data quality from the point of view of estimating lateral and longitudinal stability derivatives. From this data, structural flexibility and unsteady aerodynamics have been modeled in an ad hoc manner and are used to augment the equations of motion with flexibility effects. Results of maneuvers that were flown are compared with the predictions from the flexibility model. To extend the ad hoc flexibility model, a fully flexible aeroelastic model has been developed. The model is unusual in the approximate equality of many structural natural frequencies and the importance of unsteady aerodynamic effects. the Gossamer Albatross. It is hypothesized that this inverse ground effect is caused by turbulence in the Earth's boundary layer. The diameters of the largest boundary layer eddies (which represent most of the turbulent kinetic energy) are proportional to altitude; thus, closer to the ground, the energy in the boundary layer becomes concentrated in eddies of smaller and smaller diameter. Eventually the eddies become sufficiently small (approximately 0.5 cm) that they trip the laminar boundary layer on the wing. As a result, a greater percentage of the wing area is covered with turbulent flow. Consequently the aircraft's drag and the pow er required both increase as the aircraft flies closer to the ground. The results of the flight test program are examined critically, especially with respect to future applications. Maneuvers that allow the observation of stability derivatives for flexible aircraft are detailed. Considerations for the design of autopilots for future human power aircraft and high-altitude RPV's are discussed. Techniques useful in estimating the power required to fly aircraft of very high lift to drag ratio are described.

Sullivan, R. Bryan↗

Chemoviscosity modeling for thermosetting resin systems, 4

An experimental study on the changes of chemorheological properties has been conducted and analyzed on commercial Hercules 3501-6 resin system cured under several isothermal conditions between 375 and 435 K. For the cure temperatures equal to or greater than 385 K, the storage modulus curing curves, G prime (t), exhibited abrupt changes in slope which occurred at various times depending on the curing temperatures and were attributed to the onset of gelation reactions. The crossover points between G prime (t) and G double prime (t) curves were observed for curing temperatures equal to or greater than 400 K. The gelation and the crossover points obtained from the chemorheological measurements, therefore, defined two characteristic resin states during cure. Approximately the same value for the degree of cure was reached by the advancement of the reaction at each of these states. The temperature dependency of the viscosities for the characteristic resin states and the rate constants of increase in moduli at different stages of curing were analyzed. Various G prime (t) and G double prime (t) isothermal curing curves were also shown to be capable of being superimposed on one another by the principle of time-temperature superposition. The resultant shift factors a sub t(t) and a Eta(T) were shown to follow the Arrhenius type relationship. Values of the activation energy suggested that the reaction kinetics, instead of the diffusion mechanism, was the limiting step in the overall resin advancement for the cure at temperatures equal to or greater than 385 K.

Hou, T. H.↗

Solar wind theory and modelling

The outflow of coronal plasma into interplanetary space is a consequence of the coronal heating process. Therefore the formation of the corona and the acceleration of the solar wind should be treated as a single problem. Traditionally the mass or particle flux emanating from the extended corona has been thought of as being determined by the coronal temperature or scale height and the coronal (base) density. This argument follows from considerations of the momentum balance of the corona-wind system from which one obtains models of a close to hydrostatic corona out to the critical point where the flow becomes supersonic. With this approach to the acceleration of the wind is has been difficult to reconcile the relatively small variation observed in the proton flux at 1 AU with the predicted exponential dependence of the proton flux on the coronal temperature. In this talk we would like to emphasize another approach in which coronal energetics play the primary role. The deposition of energy into the corona through some 'mechanical' energy flux is balanced by the various energy sinks available to the corona and the sum of these processes determine the coronal structure, i.e. its temperature and density. The corona loses energy through heat conduction into the transition region, through radiative losses, and through the gravitational potential energy and kinetic energy put into the solar wind itself. We will show from a series of models of the chromosphere transition region-corona-solar wind system that most of the energy deposited in a magnetically open region will go into the solar wind, with roughly half going into kinetic energy and half into lifting the plasma out of the solar gravity field. The coronal base density will adjust itself in such a way that the heat conductive flux flowing into the transition region is radiated away in the upper chromosphere. The coronal temperature is set by the requirements that most of the deposited energy goes into accelerating the solar wind; the coronal scale height will adjust itself so that the solar wind energy losses conform to the amplitude of the input energy. These processes are modified by the 'mode' of energy deposition, and we will show the effects on coronal structure of changing the parameters describing coronal heating as well as the effects of including a helium fluid in the models. However, the location, scale height and/or form of the energy deposition (i.e. heating or direct acceleration) are not too important for the solar wind, the coronal density and temperature structure will vary with the 'mode' of energy deposition, but the solar wind mass flux depends mainly on the amplitude of the energy flux.

Hansteen, Viggo H.↗

Energy-effective and low-cost carbon capture from point-sources enabled by water-lean solvents

Aqueous amines, as the most mature carbon capture technology, are subject to high energy and cost penalties due to the large water content in their formulations. Emerging technologies are in demand to enable a transition to a low-carbon global economy. However, rigorous process modeling and techno-economic analyses are limited for emerging carbon capture technologies. Here, four CO 2 -Binding Organic Liquids (CO 2 BOLs), all water-lean solvents were presented as promising options towards energy-effective and low-cost carbon capture from point sources. Rigorous solvent property and process models were developed in Aspen Plus for a coal-fired power plant with CO 2 BOL-based carbon capture unit. Techno-economic analyses were conducted in 2018 US pricing basis. The results suggest that water-lean formulations can minimize water condensation and vaporization, leading to a 36% energy saving compared with aqueous amines. Indeed, these CO 2 BOLs can capture up to 97–99% CO 2 from coal fired plant. The estimated carbon capture cost is about $40/tonne CO 2 at 90–97% carbon capture rate, about 12–23% less expensive than the conventional aqueous amine technology. The comparison between these CO 2 BOLs showed that in addition to vapor liquid equilibrium and kinetics (key properties for aqueous solvents), viscosity, volatility, and hydrophobicity, also have strong impacts on the performance of water-lean solvents. The methods presented in this work can be used to evaluate other emerging carbon capture technologies, while the results linking costs and performance of carbon capture solvents with their properties. Additionally, this work identifies research directions and targets for further reductions in total costs of capture from either cost or energy perspectives for these leading water-lean solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling of flash sintering of ionic ceramics

A fundamental understanding of the influence of defects in ionic ceramics at the atomic, microstructural, and macroscopic levels, before, during, and after the flash sintering event is key to the development of ceramic processing operations that lead to fast, low cost, and environmentally safe fabrication of materials. The observed phenomenology of the flash process encompasses multiple time and length scales and have resulted on a wide variety of what sometimes appears to be contradictory explanations. Here, this article summarizes the latest developments on the modeling and simulation of flash sintering, specifically those related to the understanding of the equilibrium and kinetic properties and the corresponding microstructural evolution of ionic ceramics. Challenges and opportunities in the development of theoretical analyses that include unidentified multiphysical effects are discussed, as they pertain to the processing of technologically relevant ceramic materials for advanced structures and devices.

36 MATERIALS SCIENCE↗

Comparison between Hayabusa 2 Spectral Measurements and Simulations

Recent Hayabusa 2 spectral measurements are compared with state-of-the-art shock-layer radiation simulations resulting from the LAURA/HARA code suite. These simulations include coupled ablation, which accounts for the injection of ablation products into the flowfield, and coupled radiation, which accounts for radiative energy loss in the flowfield. To enable the cou- pled ablation simulations, a best-estimate model is developed for Hayabusa’s carbon-phenolic ablator based on available published information. The comparison between the simulations and measurements focuses on three atomic nitrogen lines, two atomic oxygen lines, one atomic hydrogen line, and the CN Violet band system. Parametric uncertainties are evaluated for these features using a recently developed capability in LAURA/HARA. These uncertainties capture the impact of flowfield and radiation modeling uncertainties on the observed radiation simulations, and include the impact of coupled radiation and ablation product emission. The resulting parametric uncertainties range from 50 to over 100% for the atomic lines, and 80% for CN Violet. Uncertainties in flowfield kinetics and non-Boltzmann modeling provide the dominant contribution to these uncertainties. For the atomic nitrogen and oxygen lines, com- parisons between the nominal simulations and measurements show agreement well within these simulation uncertainty bounds, with the measurements within 20% of the nominal simulation over most of the trajectory, and within 10% at peak emission. This excellent agreement is un- precedented for observed radiation measurements of atomic lines, where previous Stardust and Hayabusa 1 comparisons were significantly worse. The improved agreement for these Hayabusa 2 comparisons is both the result of improved measurement quality and enhanced flowfield and radiation modeling. For the ablation product emission from the 656 nm atomic hydrogen line, the agreement between measurements and simulations is within ±20% for all trajectory points except one outlier. This good comparison is surprising considering this species depends on the ablation rate and is shown to have strong wake contribution, which both contribute to the large ≈±70% parametric uncertainty. For the ablation product emission from CN Violet, the simulations over-predict the measurements by over a factor of two early in the trajectory, with the comparison improving later in the trajectory. This disagreement for CN Violet is consistent with the ≈±80% parametric uncertainty bounds evaluated for the simulations. To utilize the excellent agreement between the atomic line simulations and measurements in the assessment of the radiative heating margin for a future flight vehicle, the flowfield property binning (FPB) approach is applied. Using the Mars Sample Return (MSR) Earth Entry System (EES) as an example, the combination of the excellent Hayabusa comparisons and the FPB analysis justify nearly a 10% reduction in the radiative heating margin from an assumed baseline margin of 30%. This direct quantitative link between observed radiation measurements and the radia- tive heating margin of future flight vehicles demonstrates the value of these observed radiation measurements.

Shock-Layer Radiative Heating↗

Tracking structural solvent reorganization and recombination dynamics following e – photoabstraction from aqueous I – with femtosecond x-ray spectroscopy and scattering

Here we present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I–(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L 1 -edge of the generated nascent iodine atoms (I 0 ) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine–electron recombination model without the need for a long-lived (I 0 :e–) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H 2 O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine–oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I–) to an expanded cavity around I 0 with a more random orientation of the H 2 O molecules in a broadened first solvation shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Influence of Cr-Additives on the Polarization Resistance of Praseodymium-Doped Ceria Cathodes for Solid Oxide Fuel Cells

While Cr poisoning of the oxygen reduction reaction (ORR) at SOFC cathodes is widely agreed to involve deactivation of oxygen exchange sites, the degradation mechanism remains ambiguous. Here, we selected an alternative cathode material Pr 0.1 Ce 0.9 O 2− δ , free of Sr segregation, to systematically investigate the effect of Cr-induced degradation in ORR. We expand on our previous studies in which the acidity/basicity of binary additives was found to be a strong indicator of the rate of oxygen surface exchange, by electrochemically investigating the ORR activity of the PCO cathode by impedance spectroscopy. Serial infiltration with acidic Cr-based oxides was found to degrade ORR activity as reflected in a 20-fold increase in area specific resistance (ASR) without corresponding changes in activation energy, with the opposite trend obtained with Ca-based oxides. Detected changes in total capacitance, attributed to changes in surface capacitance, also suggest depressed/enhanced PCO surface redox behavior with Cr/Ca-based infiltrants. Taken together, these results point to a more universal source of ORR poisoning/activation, based on acidity/basicity, rather than physical blocking of active sites. With this improved understanding, one can expect progress to be made in the coming years in optimizing means for protecting catalytic surfaces from degradation and/or improving their performance.

25 ENERGY STORAGE↗

A Search for Star Formation in the Translucent Cloud MBM 40

The star formation status of the translucent high-latitude molecular cloud, MBM 40, is explored through analysis of radio, infrared, optical, and X-ray data. With a peak visual extinction of 1 to 2 mag, MBM 40 is an example of a high-latitude cloud near the diffuse/translucent demarcation. However, unlike most translucent clouds, MBM 40 exhibits a compact morphology and a kinetic energy-to gravitational potential energy ratio near unity. Our radio data, encompassing the CO (J = 1-0), CS (J = 2-1), and H2CO 1(sub 11-1(sub 10), spectral line transitions, reveal that the cloud contains a ridge of molecular gas with n greater than or equal to 10(exp 3)/ cc. In addition, the molecular data, together with IRAS data, indicate that the mass of MBM 40 is approx. 40 solar mass. In light of the ever-increasing number of recently formed stars far from any dense molecular clouds or cores, we searched the environs of MBM 40 for any trace of recent star formation. We used the ROSAT All-Sky Survey X-ray data and a ROSAT PSPC pointed observation toward MBM 40 to identify 33 stellar candidates with properties consistent with pre-main-sequence (PMS) stars. Follow-up optical spectroscopy of the candidates with V less than 15.5 was conducted with the 1.5 m Fred Lawrence Whipple Observatory telescope in order to identify signatures of T Tauri or pre-main- sequence stars (such as the Li 6708 A resonance line). Since none of our optically observed candidates display standard PMS signatures, we conclude that MBM 40 displays no evidence of recent or ongoing star formation. The absence of high-density molecular cores in the cloud and the relatively low column density compared to star-forming interstellar clouds may be the principal reasons that MBM 40 is devoid of star formation. More detailed comparison between this cloud and other, higher extinction translucent and dark clouds may elucidate the necessary initial conditions for the onset of low-mass star formation.

Magnani, Loris↗

"Electrostructural Phase Changes" In Charged Particulate Clouds: Planetary and Astrophysical Implications

There is empirical evidence that freely-suspended triboelectrostatically charged particulate clouds of dielectric materials undergo rapid conversion from (nominally) monodispersed "aerosols" to a system of well-defined grain aggregates after grain motion or fluid turbulence ceases within the cloud. In United States Microgravity Laboratory Space Shuttle experiments USML-1 and USML-2, it was found that ballistically-energized grain dispersions would rapidly convert into populations of filamentary aggregates after natural fluid (air) damping of grain motion. Unless continuously disrupted mechanically, it was impossible to maintain a non-aggregated state for the grain clouds of sand-size materials. Similarly, ground- based experiments with very fine dust-size material produced the same results: rapid, impulsive "collapse" of the dispersed grains into well-defined filamentary structures. In both ground-based and microgravity experiments, the chains or filaments were created by long-range dipole electrostatic forces and dipole-induced dielectric interactions, not by monopole interactions. Maintenance of the structures was assisted by short-range static boundary adhesion forces and van der Waals interactions. When the aggregate containers in the USML experiments were disturbed after aggregate formation, the quiescently disposed filaments would rearrange themselves into fractal bundles and tighter clusters as a result of enforced encounters with one another. The long-range dipole interactions that bring the grains together into aggregates are a product of randomly-distributed monopole charges on the grain surfaces. In computer simulations, it has been shown that when the force vectors of all the random charges (of both sign) on a grain are resolved mathematically by assuming Coulombic interaction between them, the net result is a dipole moment on individual grains, even though the grains are electrically neutral insofar as there is no predominance, on their surface, of one charge sign over another. The random charges of both sign derive from natural grain-to-grain interactions that produce triboelectrification via charge exchange every time grain surfaces make contact with one another. The conversion from a random distribution of grains (upon which there are randomly distributed charges) into an organization of electrostatically-ordered aggregates, can be regarded (within the framework of granular-material science) as an "electrical or Coulombic phase change" of the particulate cloud. It is not totally dissimilar from the more normal phase-change concept in which, for example, a gas with long free-path-molecules suddenly becomes a solid as a result of structural ordering of the molecules (notably, also the result of electronic forces, albeit at a different scale). In both the gas-to-solid case, and the aerosol-to-aggregate case, the same materials and charges are present before and after the phase change, but their arrangement now has a higher degree of order and a lower-energy configuration. An input of energy into the system is required to reverse the situation. The aggregates in the USML experiments were observed to undergo at least two phase changes as noted above. The point about phase changes, and by implication, the "electrostructural" reorganizations in particulate clouds, is the following: (a) they can occur very rapidly, almost spontaneously, above a critical cloud density, (b) in going from a higher energy state to a lower energy state, they convert to a denser system, (c) energy must be required to reverse the situation, implying that energy is released during the high-to-low energy phase change. In applying this information to natural particulate clouds, some inferences can be made (it is stressed that reference is still to dielectric materials attracted by dipole forces). There are several natural settings to which the USML observations apply, and to which the phase-change implications likewise apply. Dense clouds of triboelectrically-charged, kinetically-energized grains are to be found in volcanic eruptions (particularly on earth), aeolian dust storms (particularly on Mars), meteorite impact ejecta curtains (on all planets), in "immature" debris rings around planets (e.g., that from which our own Moon may have condensed), and in gravitationally collapsing protoplanetary dust/planetesimal debris disks where dielectric granules are being increasingly brought into collisional relationships with one another (increasing both charge exchange and physical proximity). It is noted that in many of these cases, the degree of electrical charging on the grains is likely to be much higher than that in the USML experiments where charging was not enhanced above the "normal", naturally encountered level for the particular materials (quartz, glass, and various silicate minerals). Application of the phase-change concept suggests that volcanic, aeolian, and impact debris clouds may, under certain circumstances, undergo rapid, impulsive, or even catastrophic collapse into a denser state that will lead to rapid precipitation or fall-out of suspended particulates. Although this idea has been suggested previously by the author , the phase change concept possibly permits some new insights into cloud-system behavior. For example, in a protoplanetary debris disk, the work of gravity may suddenly be enhanced by electrostatically driven collapse of the system when materials reach a critical intergranular spacing or grain number density. This might reduce the rate of planet formation by orders of magnitude (considering the ratio of g-forces to electrostatic ones for very small grains in close proximity), and indeed, it might drive the collapse into a system configuration that would perhaps not be created by gravity alone. Additional information is contained in the original.

Marshall, J. R.↗

Removal of primary nutrient degrading members severely reduces growth of soil microbial communities even when additional degraders are present

Understanding how microorganisms within a soil community interact to support collective respiration and growth remains challenging. Here we used a model substrate, chitin, and a Model Soil Consortium, MSC-2, to investigate how individual members of a microbial community contribute to decomposition and community growth. While MSC-2 can grow using chitin as the sole carbon source, we do not yet know how the growth kinetics or final biomass yields of MSC-2 vary when certain chitin degraders, or other important members, are absent. To characterize specific roles within this representative community, we carried out experiments leaving out members of MSC-2 and measuring biomass yields and CO2 production. We chose two members to iteratively leave out (referred to by genus name): Streptomyces, as it is predicted via gene expression analysis to be a major chitin degrader in the community, and Rhodococcus as it is predicted via species co-abundance analysis to interact with several other members. Our results showed that when MSC-2 lacked Streptomyces, growth and respiration of the community was severely reduced. Removal of either Streptomyces or Rhodococcus led to major changes in abundance for several other species, pointing to a comprehensive shifting of the microbial community when important members are removed as well as alterations in the metabolic profile, especially when Streptomyces was removed. These results show that when keystone, chitin degrading members are removed, other members, even those with the potential to degrade chitin, do not fill the same metabolic niche to promote community growth. In addition, highly connected members may be removed with similar or even increased levels of growth and respiration. Our findings are critical to a better understanding of soil microbiology, specifically in how communities maintain activity when biotic or abiotic factors lead to changes in biodiversity in soil systems.

McClure, Ryan S↗

Interactive computer modeling of combustion chemistry and coalescence-dispersion modeling of turbulent combustion

An interactive computer code for simulation of a high-intensity turbulent combustor as a single point inhomogeneous stirred reactor was developed from an existing batch processing computer code CDPSR. The interactive CDPSR code was used as a guide for interpretation and direction of DOE-sponsored companion experiments utilizing Xenon tracer with optical laser diagnostic techniques to experimentally determine the appropriate mixing frequency, and for validation of CDPSR as a mixing-chemistry model for a laboratory jet-stirred reactor. The coalescence-dispersion model for finite rate mixing was incorporated into an existing interactive code AVCO-MARK I, to enable simulation of a combustor as a modular array of stirred flow and plug flow elements, each having a prescribed finite mixing frequency, or axial distribution of mixing frequency, as appropriate. Further increase the speed and reliability of the batch kinetics integrator code CREKID was increased by rewriting in vectorized form for execution on a vector or parallel processor, and by incorporating numerical techniques which enhance execution speed by permitting specification of a very low accuracy tolerance.

Pratt, D. T.↗

Hole Trapping in Halide Perovskites Induces Phase Segregation

Metal halide perovskites have garnered a great deal of attention for their applications in photovoltaics, LEDs, and radiation detection. The ease of solution processing high-quality perovskite semiconductors with large absorption coefficients and tolerance to native defects is decidedly attractive. Additionally, the ability to precisely tune the band gap of halide perovskites through compositional alloying of the halide ion is of particular interest for a range of applications, especially for tandem solar cells. However, under steady state light irradiation, an initially homogeneous mixed halide perovskite (MHP) will form local domains that are rich in one halide ion (e.g., Br or I). This light-induced phase segregation in MHPs forms iodide-rich domains that act as charge carrier traps and lowers the efficiency of perovskite-based devices. Thus, phase segregation poses a serious challenge to the implementation of MHPs in real-world device settings. Interestingly, when a phase segregated MHP film is placed in the dark, entropic driving forces become dominant and the segregated perovskite remixes and returns to its initially homogeneous state. Several key mechanistic details of phase segregation have been elucidated over the years. However, there are still aspects of halide segregation that are not clear, and there is ongoing debate in the literature as to what are the key factors that contribute to the mechanism. This Account discusses recent results that point to the specific role of hole trapping in phase segregation. Interestingly, generation of holes through above-band-gap excitation or through electrochemical injection increases ion migration and leads to phase segregation. The thermodynamic and redox properties of halide perovskites provide a strong driving force for hole trapping and oxidation of iodide species in MHPs. However, mobile halide species within the perovskite lattice take time to migrate and generate halide-rich domains. When in contact with a nonpolar solvent, the migration of iodine species is further extended to expulsion of iodine from the perovskite film. Thus, the mobility of halides and their susceptibility to hole-induced oxidation play a crucial role in determining the long-term stability of metal halide perovskites. Strategies to gain kinetic control over ion migration to slow phase segregation are needed to overcome these hurdles and achieve stable mixed halide perovskites. Modification of the perovskite composition through introduction of different cations or halide ions, or introduction of low-dimensional perovskite phases may suppress phase segregation. Furthermore, in achieving stability and improving the efficiency of perovskite solar cells and light emitting devices with minimal impacts, suppression of segregation remains the key factor.

36 MATERIALS SCIENCE↗

Removal of primary nutrient degraders reduces growth of soil microbial communities with genomic redundancy

Understanding how microorganisms within a soil community interact to support collective respiration and growth remains challenging. Here, we used a model substrate, chitin, and a synthetic Model Soil Consortium (MSC-2) to investigate how individual members of a microbial community contribute to decomposition and community growth. While MSC-2 can grow using chitin as the sole carbon source, we do not yet know how the growth kinetics or final biomass yields of MSC-2 vary when certain chitin degraders, or other important members, are absent. To characterize specific roles within this synthetic community, we carried out experiments leaving out members of MSC-2 and measuring biomass yields and CO 2 production. We chose two members to iteratively leave out (referred to by genus name): Streptomyces, as it is predicted via gene expression analysis to be a major chitin degrader in the community, and Rhodococcus as it is predicted via species co-abundance analysis to interact with several other members. Our results showed that when MSC-2 lacked Streptomyces, growth and respiration of the community was severely reduced. Removal of either Streptomyces or Rhodococcus led to major changes in abundance for several other species, pointing to a comprehensive shifting of the microbial community when important members are removed, as well as alterations in the metabolic profile, especially when Streptomyces was lacking. These results show that when keystone, chitin degrading members are removed, other members, even those with the potential to degrade chitin, do not fill the same metabolic niche to promote community growth. In addition, highly connected members may be removed with similar or even increased levels of growth and respiration. Our findings are critical to a better understanding of soil microbiology, specifically in how communities maintain activity when biotic or abiotic factors lead to changes in biodiversity in soil systems.

59 BASIC BIOLOGICAL SCIENCES↗