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At least 325 records · Page 18

Quasiparticle self-consistent GW band structures and phase transitions of LiAlO 2 in tetrahedrally and octahedrally coordinated structures

In this work, a first-principles computational study is presented of various phases of LiAlO 2 . The relative total energies and equations of state of the α, β, and γ phases are determined after structural relaxation of each phase. The β and γ tetrahedral phases are found to be very close in energy and lattice volume with the γ phase having the lowest energy. The octahedral α phase is a high-pressure phase and the transition pressure from the γ and β phases to α is determined to be about 1 GPa. The electronic band structures of each phase at their own equilibrium volume are determined using the quasiparticle self-consistent (QS) GW method as well as using the 0.8 Σ approach in which the QS GW self-energy is reduced by a factor of 0.8 to correct for the underscreening of W in QS GW. The effective masses of the band edges and the nature of the band gaps are presented. The lowest energy γ phase is found to have a pseudodirect gap of 7.69 eV. The gap is direct at Γ but corresponds to a dipole forbidden transition. The imaginary part of the dielectric function and the absorption coefficient are calculated in the long-wavelength limit and the random phase approximation, without local field or electron-hole interaction effects for each phase, and their anisotropies are discussed. Si doping on the Al site is investigated as a possible n-type dopant in γ-LiAlO 2 using a 128-atom supercell corresponding to 3.125% Si on the Al sublattice in the generalized gradient approximation and a smaller 16-atom cell with 25% Si in the QS GW approximation. The Si is found to significantly perturb the conduction band and lower the gap but a clearly separated deep donor defect level is not found. However, the donor binding energy is still expected to be relatively deep, on the order of a few tenths eV in the hydrogenic effective mass approximation.

36 MATERIALS SCIENCE↗

Fluoride-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model

In this report we present work performed in Fiscal Year 2022 that demonstrates the modeling and simulation of a fully coupled neutronics thermal hydraulics reference plant model for a fluoride-cooled high-temperature pebble-bed reactor. The multiphysics model is developed on the Nuclear Regulatory Commission’s Comprehensive Reactor Analysis Bundle (BlueCRAB) available on the Idaho National Laboratory’s high-performance computer, which natively and seamlessly couples Griffin, Pronghorn, and the BISON Multiphysics Object-Oriented Simulation Environment based applications. Griffin provides reactor physics capabilities, including depletion to the equilibrium core, k-eigenvalue, adjoint, and transient. The unique direct equilibrium core capability in Griffin is based on a streamline methodology to spatially deplete the pebbles into burnup groups. Pronghorn solves the porous medium equations for the fluid regions and conduction in the solid regions and incorporates a fluidic diode model to simulate the transition from forced to natural convection during accident scenarios. MOOSE modules solves thermal conduction problems for the pebbles and tristructural isotropic in the pebble-bed core, thus providing the fuel and moderator spatial fields for each pebble burnup group. The neutronics feedback relies primarily on fuel, moderator, and reflector temperatures as as well as the FLiBe salt density. Here, we present results for the uncoupled equilibrium core and perform comparisons to equivalent Monte Carlo models. The power distributions and kinetic parameters obtained with Griffin are consistent with those computed with Griffin. We demonstrate a noticeable improvement with the use of discrete ordinates method (SN) transport. The coupled steady-state equilibrium core provides the initial condition for two time-dependent problems: a control rod withdrawal event and an unprotected loss of flow event. In both cases, the reactor design is self-stabilizing and the solutions are consistent with the expected physics. Although this model is prototypical regarding BlueCRAB’s capabilities, its results are consistent with published work by Kairos Power and other research entities. Significant improvements to the model are planned in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Particle simulation of plasmas on the massively parallel processor

Particle simulations, in which collective phenomena in plasmas are studied by following the self consistent motions of many discrete particles, involve several highly repetitive sets of calculations that are readily adaptable to SIMD parallel processing. A fully electromagnetic, relativistic plasma simulation for the massively parallel processor is described. The particle motions are followed in 2 1/2 dimensions on a 128 x 128 grid, with periodic boundary conditions. The two dimensional simulation space is mapped directly onto the processor network; a Fast Fourier Transform is used to solve the field equations. Particle data are stored according to an Eulerian scheme, i.e., the information associated with each particle is moved from one local memory to another as the particle moves across the spatial grid. The method is applied to the study of the nonlinear development of the whistler instability in a magnetospheric plasma model, with an anisotropic electron temperature. The wave distribution function is included as a new diagnostic to allow simulation results to be compared with satellite observations.

Gledhill, I. M. A.↗

Self-consistent inclusion of space-charge in the traveling wave tube

It is shown how the complete field of the electron beam may be incorporated into the transmission line model theory of the traveling wave tube (TWT). The fact that the longitudinal component of the field due to the bunched beam is not used when formulating the beam-to-circuit coupling equation is not well-known. The fundamental partial differential equation for the traveling wave field is developed and compared with the older (now standard) one. The equation can be solved numerically using the same algorithms, but now the coefficients can be updated continuously as the calculation proceeds down the tube. The coefficients in the older equations are primarily derived from preliminary measurements and some trial and error. The newer coefficients can be found by a recursive method, since each has a well defined physical interpretation and can be calculated once a reasonable first trial solution is postulated. The results of the new expression were compared with those of the older forms, as well as to a field theory model to show the ease in which a reasonable fit to the field prediction is obtained. A complete summary of the existing transmission line modeling of the TWT is given to explain the somewhat vague ideas and techniques in the general area of drifting carrier-traveling circuit wave interactions. The basic assumptions and inconsistencies of the existing theory and areas of confusion in the general literature are examined and hopefully cleared up.

Freeman, Jon C.↗

Theory and simulation of electromagnetic beam modes and whistlers

Using particle-in-cell simulations and analytical methods, a study of the nonlinear evolution of electromagnetic instabilities driven by an anisotropic electron beam in an external magnetic field is performed. The unstable waves are either whistlerlike or beam-mode-like depending on the external field strength and beam velocity. The evolution of the particle distribution differs significantly in the two regimes. Even in the presence of a faster electrostatic instability, the electromagnetic waves grow to a significant amplitude. In certain cases, an energetic tail is formed, resulting in enhanced Cerenkov emission of electrostatic waves. The initial evolution of the particle distribution is explained in terms of the interaction of a given linearly unstable wave with the self-consistent perturbed distribution.

Newman, David L.↗

Development of a simple, self-contained flight test data acquisition system

A low cost flight test data acquisition system, applicable to general aviation airplanes, was developed which meets criteria for doing longitudinal and lateral stability analysis. Th package consists of (1) a microprocessor controller and data acquisition module; (2) a transducer module; and (3) a power supply module. The system is easy to install and occupies space in the cabin or baggage compartment of the airplane. All transducers are contained in these modules except the total pressure tube, static pressure air temperature transducer, and control position transducers. The NASA-developed MMLE program was placed on a microcomputer on which all data reduction is done. The flight testing program undertaken proved both the flight testing hardware and the data reduction method to be applicable to the current field of general aviation airplanes.

Renz, R. R. L.↗

Semiglobal diabatic potential energy matrix for the N–H photodissociation of methylamine

We constructed an analytic diabatic potential energy matrix (DPEM) that describes the N–H photodissociation of methylamine; the electronic state space includes the ground and first excited singlet states. The input for the fit was calculated by extended multi-state complete active space second-order perturbation theory. The data were diabatized using the dipole–quadrupole diabatization method in which we incorporated a coordinate-dependent weighting scheme for the contribution of the quadrupole moments. Therefore, to make the resulting potential energy surfaces semiglobal, we extended the anchor points reactive potential method, a multiscale approach that assigns the internal coordinates to categories with different levels of computational treatment. Key aspects of the adiabatic potential energy surfaces obtained by diagonalizing the DPEM agree with the available experimental and theoretical data at energies relevant for photochemical studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals

Vibrational heat-bath configuration interaction (VHCI)—a selected configuration interaction technique for vibrational structure theory—has recently been developed in two independent works [J. H. Fetherolf and T. C. Berkelbach, J. Chem. Phys. 154, 074104 (2021); A. U. Bhatty and K. R. Brorsen, Mol. Phys. 119, e1936250 (2021)], where it was shown to provide accuracy on par with the most accurate vibrational structure methods with a low computational cost. Here, we eliminate the memory bottleneck of the second-order perturbation theory correction using the same (semi)stochastic approach developed previously for electronic structure theory. This allows us to treat, in an unbiased manner, much larger perturbative spaces, which are necessary for high accuracy in large systems. Stochastic errors are easily controlled to be less than 1 cm−1. We also report two other developments: (i) we propose a new heat-bath criterion and an associated exact implicit sorting algorithm for potential energy surfaces expressible as a sum of products of one-dimensional potentials; (ii) we formulate VHCI to use a vibrational self-consistent field (VSCF) reference, as opposed to the harmonic oscillator reference configuration used in previous reports. Our tests are done with quartic and sextic force fields, for which we find that with VSCF, the minor improvements to accuracy are outweighed by the higher computational cost associated the matrix element evaluations. We expect VSCF-based VHCI to be important for more general potential representations, for which the harmonic oscillator basis function integrals are no longer analytic.

Chemistry↗

Satellite remote sensing of sea surface temperature

An overview is conducted of the satellite methods available for investigating sea-surface temperature (SST). Attention is given to the accuracies expected from specific satellite instruments and retrieval methods. The techniques reviewed include IR radiometry, corrections for atmospheric attenuation and cloudiness, and the combination of AVHRR and High-resolution IR Sounder channels. The analytical derivations of surface emission (microwave and IR) and radiative transfer are demonstrated, and the theoretically derived SST retrieval algorithms are discussed for both microwave and IR sensors. The accuracies of satellite and in situ SST products are compared with attention given to the use of composite SST products. The AVHRR data are found to be self-consistent and provide the lowest rms errors and bias variations, and the occurrence of satellite anomalies are considered acceptable in the light of in situ data which does not adequately represent the SST field.

Njoku, Eni G.↗

Helicopter Flight Test of a Compact, Real-Time 3-D Flash Lidar for Imaging Hazardous Terrain During Planetary Landing

A second generation, compact, real-time, air-cooled 3-D imaging Flash Lidar sensor system, developed from a number of cutting-edge components from industry and NASA, is lab characterized and helicopter flight tested under the Autonomous Precision Landing and Hazard Detection and Avoidance Technology (ALHAT) project. The ALHAT project is seeking to develop a guidance, navigation, and control (GN&C) and sensing system based on lidar technology capable of enabling safe, precise crewed or robotic landings in challenging terrain on planetary bodies under any ambient lighting conditions. The Flash Lidar incorporates a 3-D imaging video camera based on Indium-Gallium-Arsenide Avalanche Photo Diode and novel micro-electronic technology for a 128 x 128 pixel array operating at a video rate of 20 Hz, a high pulse-energy 1.06 μm Neodymium-doped: Yttrium Aluminum Garnet (Nd:YAG) laser, a remote laser safety termination system, high performance transmitter and receiver optics with one and five degrees field-of-view (FOV), enhanced onboard thermal control, as well as a compact and self-contained suite of support electronics housed in a single box and built around a PC-104 architecture to enable autonomous operations. The Flash Lidar was developed and then characterized at two NASA-Langley Research Center (LaRC) outdoor laser test range facilities both statically and dynamically, integrated with other ALHAT GN&C subsystems from partner organizations, and installed onto a Bell UH-1H Iroquois "Huey" helicopter at LaRC. The integrated system was flight tested at the NASA-Kennedy Space Center (KSC) on simulated lunar approach to a custom hazard field consisting of rocks, craters, hazardous slopes, and safe-sites near the Shuttle Landing Facility runway starting at slant ranges of 750 m. In order to evaluate different methods of achieving hazard detection, the lidar, in conjunction with the ALHAT hazard detection and GN&C system, operates in both a narrow 1deg FOV raster-scanning mode in which successive, gimbaled images of the hazard field are mosaicked together as well as in a wider, 4.85deg FOV staring mode in which digital magnification, via a novel 3-D superresolution technique, is used to effectively achieve the same spatial precision attained with the more narrow FOV optics. The lidar generates calibrated and corrected 3-D range images of the hazard field in real-time and passes them to the ALHAT Hazard Detection System (HDS) which stitches the images together to generate on-the-fly Digital Elevation Maps (DEM's) and identifies hazards and safe-landing sites which the ALHAT GN&C system can then use to guide the host vehicle to a safe landing on the selected site. Results indicate that, for the KSC hazard field, the lidar operational range extends from 100m to 1.35 km for a 30 degree line-of-sight angle and a range precision as low as 8 cm which permits hazards as small as 25 cm to be identified. Based on the Flash Lidar images, the HDS correctly found and reported safe sites in near-real-time during several of the flights. A follow-on field test, planned for 2013, seeks to complete the closing of the GN&C loop for fully-autonomous operations on-board the Morpheus robotic, rocket-powered, free-flyer test bed in which the ALHAT system would scan the KSC hazard field (which was vetted during the present testing) and command the vehicle to landing on one of the selected safe sites.

Roback, VIncent E.↗

Feasibility of a Novel Density Functional Method Outside the Kohn-Sham Framework for Modeling Global Potential Energy Surfaces of Molecular Chemical Reactions (Final Technical Report)

The project aimed towards the construction of computational methods capable of modeling the global potential energy surface (PES) of small molecules, molecular ions, and radicals — including the parts of the PES which correspond to chemical reactions, and the reaction paths connecting reactants, intermediates, and reaction products. This goal may seem humble at first glance, but for chemical systems with more than about six atoms in total, at the time the project was proposed, there were no established theoretical methods capable of simulating such systems reliably, not even for small molecules in the gas phase which are electronically benign. This restriction severely hampers our ability to model and control chemical processes under harsh conditions. With the goal of constructing a method capable of modeling such chemical systems, we proposed to pursue a novel approach towards a Multi-Configuration (MC) DFT outside the traditional frameworks of Kohn-Sham theory and other methods of coupling wave function theory with DFT. Rather than being a complete active space (CAS) method, the proposed DOCI-DFT would employ a special restricted form of the active space wave function, called Doubly-Occupied CI (DOCI)—this wave function form is sufficient to describe not only heterolytic, but also homolytic bond dissociation processes at the zeroth order (i.e., as active space wave function). There are no other standard mean field methods which can do so. In the original proposal, we also outlined strong formal and practical arguments speaking for this method. The project proposal was accepted by the Department of Energy and provided two years of seed funding for one graduate student, as well as two years of two weeks PI summer-salary for the PI. However, ultimately the project could not be effectively pursued due to severe interferences outside the context scientific problems and was cancelled. Apart from two weeks of PI salary (and associated fringe & overhead costs issues by the performing institution), no costs were charged against the award, with the entire rest of funding returned to the Department of Energy. This report reiterates the primary background information regarding the project, its original goals, and outlines the preliminary work performed during the two weeks of DOE funding charged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of beam–beam effects on absolute luminosity calibrations at the CERN Large Hadron Collider

At the Large Hadron Collider (LHC), absolute luminosity calibrations obtained by the van der Meer (vdM) method are affected by the mutual electromagnetic interaction of the two beams. The colliding bunches experience relative orbit shifts, as well as optical distortions akin to the dynamic-β effect, that both depend on the transverse beam separation and must therefore be corrected for when deriving the absolute luminosity scale. In the vdM regime, the beam–beam parameter is small enough that the orbit shift can be calculated analytically. The dynamic-β corrections to the luminometer calibrations, however, had until the end of Run 2 been estimated in the linear approximation only. In this report, the influence of beam–beam effects on the vdM-based luminosity scale is quantified, together with the associated systematic uncertainties, by means of simulations that fully take into account the non-linearity of the beam–beam force, as well as the resulting non-Gaussian distortions of the transverse beam distributions. Two independent multiparticle simulations, one limited to the weak-strong approximation and one that models strong-strong effects in a self-consistent manner, are found in excellent agreement; both predict a percent-level shift of the absolute pp-luminosity values with respect to those assumed until recently in the physics publications of the LHC experiments. These results also provide guidance regarding further studies aimed at reducing the beam–beam-related systematic uncertainty on beam–beam corrections to absolute luminosity calibrations by the van der Meer method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fast Magnetic Reconnection with Turbulence in High Lundquist Number Limit

Here, we use extensive 3D resistive MHD simulations to study how large-scale current sheets will undergo fast reconnection in the high Lundquist number S limit (above ~104), when the system is subject to different externally driven turbulence levels and the self-generated turbulence produced by 3D reconnection dynamics. We find that the normalized global reconnection rate ~0.01–0.13 is weakly dependent on S. Global reconnection with the classic inflow/outflow configurations is observed, and 3D flux ropes are hierarchically formed and ejected from reconnection regions. A statistical separation of the reconnected magnetic field lines follows a superdiffusive behavior, from which the rate is measured to be very similar to that obtained from the mixing of tracer populations. We find that the reconnection rate scales roughly linearly with the turbulence level during the peak of reconnection. This scaling is consistent with the turbulence properties produced by both the externally driven and self-generation processes. These results imply that large-scale thin current sheets tend to undergo rigorous reconnection.

79 ASTRONOMY AND ASTROPHYSICS↗

Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics

Extended Lagrangian Born–Oppenheimer molecular dynamics [ Phys. Rev. Lett. 2008, 100, 123004] is presented for Hartree–Fock theory, where the extended electronic degrees of freedom are represented by a density matrix, including fractional occupation numbers at elevated electronic temperatures. In contrast to regular direct Born–Oppenheimer molecular dynamics simulations, no iterative self-consistent field optimization is required prior to the force evaluations. To sample regions of the potential energy landscape where the gap is small or vanishing, which leads to particular convergence problems in regular direct Born–Oppenheimer molecular dynamics simulations, an adaptive integration scheme for the extended electronic degrees of freedom is presented. The integration scheme is based on a tunable, low-rank approximation of a fourth-order kernel, K, that determines the metric tensor, T ≡ K T K, used in the extended harmonic oscillator of the Lagrangian that generates the dynamics of the electronic degrees of freedom. Here, the formulation and algorithms provide a general guide to implement extended Lagrangian Born–Oppenheimer molecular dynamics for quantum chemistry, density functional theory, and semiempirical methods using a density matrix formalism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cumulant methods for electron-phonon problems. II. The self-consistent cumulant expansion

Here in this paper we present a self-consistent cumulant expansion (SC-CE) and investigate its accuracy for the one-dimensional Holstein model with and without phonon dispersion. We show that for finite lattice sizes, the numerical integration of the SC-CE equations becomes unstable at long times. This defect is partially ameliorated when studying systems in the thermodynamic limit, enabling the demonstration that the SC-CE corrects many deficits of the standard perturbative CE in the (nondispersive) Holstein model. The natural phonon damping that arises in the more realistic dispersed Holstein model renders the SC-CE stable, allowing for a complete assessment of the method. Here, we find that self-consistency dramatically corrects many of the failures found in the perturbative CE, but also introduces some unphysical features. Finally, we comment on the potential use of SC-CE as a tool for calculating Green's functions in generic many-body problems.

36 MATERIALS SCIENCE↗

Gradient-Based Novelty Detection Boosted by Self-Supervised Binary Classification

Novelty detection aims to automatically identify out-of-distribution (OOD) data, without any prior knowledge of them. It is a critical step in data monitoring, behavior analysis and other applications, helping enable continual learning in the field. Conventional methods of OOD detection perform multi-variate analysis on an ensemble of data or features, and usually resort to the supervision with OOD data to improve the accuracy. In reality, such supervision is impractical as one cannot anticipate the anomalous data. In this paper, we propose a novel, self-supervised approach that does not rely on any pre-defined OOD data: (1) The new method evaluates the Mahalanobis distance of the gradients between the in-distribution and OOD data. (2) It is assisted by a self-supervised binary classifier to guide the label selection to generate the gradients, and maximize the Mahalanobis distance. In the evaluation with multiple datasets, such as CIFAR-10, CIFAR-100, SVHN and TinyImageNet, the proposed approach consistently outperforms state-of-the-art supervised and unsupervised methods in the area under the receiver operating characteristic (AUROC) and area under the precision-recall curve (AUPR) metrics. We further demonstrate that this detector is able to accurately learn one OOD class in continual learning.

Sun, Jingbo↗

Validation Assessment for the Soil Moisture Active Passive (SMAP) Level 4 Carbon (L4_C) Data Product Version 5

The post-launch Cal/Val phase of the SMAP mission is guided by two primary objectives for each science product team: 1) to calibrate, verify, and improve the performance of the science algorithms, and 2) validate accuracies of the science data products as specified in the SMAP Level-1 mission science requirements. Algorithm science and product maintenance activities during the SMAP extended mission phase have also involved periodic algorithm calibration and product refinements to maintain or enhance product consistency and performance as well as science utility. This report provides an assessment of the latest (Version 5) SMAP Level 4 Carbon (L4_C) product. The L4_C Version 5 (v5) global record now spans more than six years (March 2015 – present) of SMAP operations and has benefited from five major reprocessing updates to the operational product. These reprocessing events and L4_C product release updates have incorporated various algorithm refinements and calibration adjustments to account for similar refinements to the upstream GEOS land model assimilation system, SMAP brightness temperatures, and MODIS vegetation inputs used for L4_C processing. The SMAP L4_C algorithms utilize a terrestrial carbon flux model informed by daily surface and root zone soil moisture information contributed from the SMAP Level 4 Soil Moisture (L4_SM) product along with optical remote sensing-based (e.g. MODIS-based) land cover and canopy fractional photosynthetic active radiation (fPAR), and other ancillary biophysical data. The carbon flux model estimates global daily net ecosystem CO2 exchange (NEE) and the component carbon fluxes, namely, vegetation gross primary production (GPP) and soil heterotrophic respiration (Rh). Other L4_C product elements include surface (~0-5 cm depth) soil organic carbon (SOC) stocks and associated environmental constraints to these processes, including soil moisture-related controls on GPP and ecosystem respiration (Kimball et al. 2014, Jones et al. 2017). The L4_C product addresses SMAP carbon cycle science objectives by: 1) providing a direct link between terrestrial carbon fluxes and underlying freeze/thaw and soil moisture-related constraints to these processes, 2) documenting primary connections between terrestrial water, energy and carbon cycles, and 3) improving understanding of terrestrial carbon sink activity. The SMAP L4_C algorithms and operational product are mature and at a CEOS Validation Stage 4 level (Jackson et al. 2012) based on extensive validation of the multi-year record against a diverse array of independent benchmarks, well characterized global performance, and systematic refinements gained from five major reprocessing events. There are no Level-1 mission science requirements for the L4_C product; however, self-imposed requirements have been established focusing on NEE as the primary product field for validation, and on demonstrating L4_C accuracy and success in meeting product science requirements (Jackson et al. 2012). The other L4_C product fields also have strong utility for carbon science applications (e.g., Liu et al. 2019, Endsley et al. 2020); however, analysis of these other fields is considered secondary relative to primary validation activities focusing on NEE. The L4_C targeted accuracy requirements are to meet or exceed a mean unbiased root-mean-square error (ubRMSE, or standard deviation of the error) for NEE of 1.6 g C m-2 d-1 and 30 g C m-2 yr-1, emphasizing northern (≥45°N) boreal and arctic ecosystems; this accuracy is similar to that of tower eddy covariance measurement-based observations (Baldocchi 2008). Methods used for the latest v5 L4_C product performance and validation assessment have been established from the SMAP Cal/Val plan and previous studies (Jackson et al. 2012, Jones et al. 2017) and include: 1) consistency evaluations of the product fields against earlier product releases (version 4 or earlier); 2) comparisons of daily carbon flux estimates with independent tower eddy 4covariance measurement-based daily carbon (CO2) flux observations from core tower validation sites (CVS); and 3) consistency checks against other global carbon products, including soil carbon inventory records, global GPP records derived from tower observation upscaling methods, and satellite-based observations of canopy solar induced chlorophyll fluorescence (SIF) as a surrogate for GPP. Metrics used to evaluate relative agreement between L4_C product fields and observational benchmarks include correlation (r-value), RMSE differences, bias and model sensitivity diagnostics. Following these validation criteria, the present report provides a validation assessment of the latest L4_C product release (v5). Detailed descriptions of the L4_C algorithm and additional global product accuracy and performance results are given elsewhere (Jones et al. 2017, Endsley et al. 2020). The v5 L4_C product replaces earlier product versions and continues to show: (i) accuracy and performance levels meeting or exceeding SMAP L4_C science requirements; (ii) improvement over the previous product version (version 4); and (iii) suitability for a diversity of science applications. Example L4_C applications from the recent literature include clarifying environmental trends and controls on the northern terrestrial carbon sink (Liu et al. 2019), diagnosing drought-related impacts on ecosystem productivity (Li et al. 2020), and regional monitoring of cropland conditions for projecting annual yields (Wurster et al. 2020). 2EXPECTED L4_C ALGORITHM AND PRODUCTPERFORMANCE The L4_C algorithm performance, including variance and uncertainty estimates of model outputs, was determined during the mission pre-launch phase through spatially explicit model sensitivity studies using available model inputs similar to those currently being used for operational production and evaluating the resulting model simulations over the observed range of northern (≥45 °N) and global conditions (Kimball et al. 2012, Entekhabi et al. 2014). The L4_C algorithm options were also evaluated during the mission prelaunch phase, including deriving canopy fPAR from lower order NDVI (Normalized Difference Vegetation Index) inputs in lieu of using MODIS (MOD15) fPAR; and including an explicit model representation of boreal fire disturbance recovery impacts. These results indicated that the L4_C accuracy requirements (i.e., NEE ubRMSE ≤ 30 g C m-2 yr-1or ≤ 1.6 g C m-2 d-1) could be met from the baseline algorithms over more than 82% and 89% of global and northern vegetated land areas, respectively (Yi et al. 2013, Kimball et al. 2014). The global L4_C algorithm error budget for NEE derived during the mission prelaunch phase indicated that the estimated NEE ubRMSE uncertainty is proportional to GPP and is therefore larger in higher biomass productivity areas, including forests and croplands (Kimball et al. 2014). Likewise, NEE ubRMSE uncertainty is expected to be lower in less-productive areas, including grasslands and shrublands. Expected model NEE ubRMSE levels were also generally within targeted accuracy levels for characteristically less-productive boreal and Arctic biomes, even though relative model error as a proportion of total productivity (NEE RMSE / GPP) may be large in these areas. The estimated NEE uncertainty was lower than expected in some warmer tropical high biomass productivity areas (e.g. Amazon rainforest) because of reduced low temperature and moisture constraints to the L4_C respiration calculations so that the bulk of model uncertainty is contributed by GPP in these areas. Model NEE uncertainty in the African Congo was estimated to

SMAP↗

N-body simulations of disks

The methods used in large-scale n-body simulations are discussed. However, the present review concentrates on results already obtained in n-body simulations using systems containing up to 200,000 simulation stars. Results are presented which show that the stability criterion developed for flattened systems applies only to truly axisymmetric instabilities. Purely stellar disks acquire rather large velocity dispersions, generally two or more times the velocity dispersion required by Toomre (1964) for axisymmetric stability. In computer simulations, the bar-forming instability can be prevented only by comparatively large velocity dispersions. However, simulations including the effects of the galactic halo and core as a fixed background field show that bar formation can be prevented for fixed halo components as large or larger than the self-consistent disk component. Experiments performed to determine the collisional relaxation time for large-scale gravitational n-body calculations show that these models are indeed 'collisionless'.

Hohl, F.↗