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At least 883 records · Page 49

Do Better Satellite Precipitation Algorithms Improve Landslide Hazard Assessment?

Satellites make it possible to estimate precipitation in near real time. Given the challenges of achieving global coverage by other means, these data are used widely. However, few systems for landslide hazard assessment rely on satellite precipitation estimates. This could be due in part to perceptions of accuracy, although latency, spatial resolution, and other factors may also be important. We test whether recent changes to data streams from the Global Precipitation Measurement mission (GPM) have improved its potential for use in landslide prediction. Specifically, we examine data produced by the Integrated Multi-satellitERetrievals for the GPM (IMERG) algorithm, which was upgraded to version 7 this year. IMERG relies upon other algorithms, including the Goddard Profiling Algorithm (GPROF) and the GPM Combined Radar-Radiometer Algorithm (CORRA). Many changes have been made during the switch from IMERG version 6 to version 7. These include upgrading CORRA and GPROF to version 7, to improve the accuracy of precipitation in frozen, mountainous, and coastal areas. The measured intensity of some storms has been enhanced with a new algorithm, the Scheme for Histogram Adjustment with Ranked Precipitation Estimates in the Neighborhood. Combined with many others, these changes to IMERG should improve its utility for landslide hazard assessment in a variety of contexts. To test this idea, we retrain the global Landslide Hazard Assessment for Situational Awareness (LHASA) model twice—first with data from IMERG version 6B and second with 7B. Since current daily rainfall is the most important variable in determining outcomes predicted by LHASA, it should reflect changes made to that input. First, we grid the landslides at a daily, thirty-arcsecond resolution. This serves as the response variable. At each of these sites current and antecedent rainfall are extracted, along with antecedent snow mass and soil moisture, slope, and PGA. In addition, one million grid cells are selected at random points to represent conditions under which landslides (probably) do not occur. After merging these data, we hold back 20% of the dataset for validation purposes and train a machine-learning model with the rest. We assess both the model’s overall ability to identify landslides and its ability to predict specific large landslide disasters.

Thomas A Stanley↗

First SNPP Cal/Val Campaign: Satellite and Aircraft Sounding Retrieval Intercomparison

Satellite ultraspectral infrared sensors provide key data records essential for weather forecasting and climate change science. The Suomi National Polar-orbiting Partnership (SNPP) satellite Environmental Data Record (EDR) is retrieved from calibrated ultraspectral radiance so called Sensor Data Record (SDR). It is critical to understand the accuracy of retrieved EDRs, which mainly depends on SDR accuracy (e.g., instrument random noise and absolute accuracy), an ill-posed retrieval system, and radiative transfer model errors. There are few approaches to validate EDR products, e.g., some common methods are to rely on radiosonde measurements, ground-based measurements, and dedicated aircraft campaign providing in-situ measurements of atmosphere and/or employing similar ultraspectral interferometer sounders. Ultraspectral interferometer sounder aboard aircraft measures SDR to retrieve EDR, which is often used to validate satellite measurements of SDR and EDR. The SNPP Calibration/Validation Campaign was conducted during May 2013. The NASA high-altitude aircraft ER-2 that carried ultraspectral interferometer sounders such as the NASA Atmospheric Sounder Testbed-Interferometer (NAST-I) flew under the SNPP satellite that carries the Cross-track Infrared Sounder (CrIS). Here we inter-compare the EDRs produced with different retrieval algorithms from SDRs measured by the sensors from satellite and aircraft. The available dropsonde and radiosonde measurements together with the European Centre for Medium-Range Weather Forecasts (ECMWF) analysis were also used to draw the conclusion from this experiment.

Zhou, Daniel K.↗

An information maximization model of eye movements

We propose a sequential information maximization model as a general strategy for programming eye movements. The model reconstructs high-resolution visual information from a sequence of fixations, taking into account the fall-off in resolution from the fovea to the periphery. From this framework we get a simple rule for predicting fixation sequences: after each fixation, fixate next at the location that minimizes uncertainty (maximizes information) about the stimulus. By comparing our model performance to human eye movement data and to predictions from a saliency and random model, we demonstrate that our model is best at predicting fixation locations. Modeling additional biological constraints will improve the prediction of fixation sequences. Our results suggest that information maximization is a useful principle for programming eye movements.

NASA Discipline Neuroscience↗

Convergence and Quantum Advantage of Trotterized MERA for Strongly-Correlated Systems

Strongly-correlated quantum many-body systems are difficult to study and simulate classically. We recently proposed a variational quantum eigensolver (VQE) based on the multiscale entanglement renormalization ansatz (MERA) with tensors constrained to certain Trotter circuits. Here, we determine the scaling of computation costs for various critical spin chains which substantiates a polynomial quantum advantage in comparison to classical MERA simulations based on exact energy gradients or variational Monte Carlo. Algorithmic phase diagrams suggest an even greater separation for higher-dimensional systems. Hence, the Trotterized MERA VQE is a promising route for the efficient investigation of strongly-correlated quantum many-body systems on quantum computers. Furthermore, we show how the convergence can be substantially improved by building up the MERA layer by layer in the initialization stage and by scanning through the phase diagram during optimization. For the Trotter circuits being composed of single-qubit and two-qubit rotations, it is experimentally advantageous to have small rotation angles. We find that the average angle amplitude can be reduced considerably with negligible effect on the energy accuracy. Benchmark simulations suggest that the structure of the Trotter circuits for the TMERA tensors is not decisive; in particular, brick-wall circuits and parallel random-pair circuits yield very similar energy accuracies.

Miao, Qiang [Duke Quantum Center, Duke University,↗

Particle Scattering in the Resonance Regime: Full-Wave Solution for Axisymmetric Particles with Large Aspect Ratios

Reliable descriptions of the optical properties of clouds and aerosols are essential for studies of radiative transfer in planetary atmospheres. The scattering algorithms provide accurate estimates of these properties for spherical particles with a wide range of sizes and refractive indices, but these methods are not valid for non-spherical particles (e.g., ice crystals, mineral dust, and smoke). Even though a host of methods exist for deriving the optical properties of nonspherical particles that are very small or very large compared with the wavelength, only a few methods are valid in the resonance regime, where the particle dimensions are comparable with the wavelength. Most such methods are not ideal for particles with sharp edges or large axial ratios. We explore the utility of an integral equation approach for deriving the single-scattering optical properties of axisymmetric particles with large axial ratios. The accuracy of this technique is shown for spheres of increasing size parameters and an ensemble of randomly oriented prolate spheroids of size parameter equal to 10.079368. In this last case our results are compared with published results obtained with the T-matrix approach. Next we derive cross sections, single-scattering albedos, and phase functions for cylinders, disks, and spheroids of ice with dimensions extending from the Rayleigh to the geometric optics regime. Compared with those for a standard surface integral equation method, the storage requirement and the computer time needed by this method are reduced, thus making it attractive for generating databases to be used in multiple-scattering calculations. Our results show that water ice disks and cylinders are more strongly absorbing than equivalent volume spheres at most infrared wavelengths. The geometry of these particles also affects the angular dependence of the scattering. Disks and columns with maximum linear dimensions larger than the wavelength scatter much more radiation in the forward and backward directions and much less radiation at intermediate phase angles than equivalent volume spheres.

Zuffada, Cinzia↗

Probabilisitc Geobiological Classification Using Elemental Abundance Distributions and Lossless Image Compression in Recent and Modern Organisms

Last year we presented techniques for the detection of fossils during robotic missions to Mars using both structural and chemical signatures[Storrie-Lombardi and Hoover, 2004]. Analyses included lossless compression of photographic images to estimate the relative complexity of a putative fossil compared to the rock matrix [Corsetti and Storrie-Lombardi, 2003] and elemental abundance distributions to provide mineralogical classification of the rock matrix [Storrie-Lombardi and Fisk, 2004]. We presented a classification strategy employing two exploratory classification algorithms (Principal Component Analysis and Hierarchical Cluster Analysis) and non-linear stochastic neural network to produce a Bayesian estimate of classification accuracy. We now present an extension of our previous experiments exploring putative fossil forms morphologically resembling cyanobacteria discovered in the Orgueil meteorite. Elemental abundances (C6, N7, O8, Na11, Mg12, Ai13, Si14, P15, S16, Cl17, K19, Ca20, Fe26) obtained for both extant cyanobacteria and fossil trilobites produce signatures readily distinguishing them from meteorite targets. When compared to elemental abundance signatures for extant cyanobacteria Orgueil structures exhibit decreased abundances for C6, N7, Na11, All3, P15, Cl17, K19, Ca20 and increases in Mg12, S16, Fe26. Diatoms and silicified portions of cyanobacterial sheaths exhibiting high levels of silicon and correspondingly low levels of carbon cluster more closely with terrestrial fossils than with extant cyanobacteria. Compression indices verify that variations in random and redundant textural patterns between perceived forms and the background matrix contribute significantly to morphological visual identification. The results provide a quantitative probabilistic methodology for discriminating putatitive fossils from the surrounding rock matrix and &om extant organisms using both structural and chemical information. The techniques described appear applicable to the geobiological analysis of meteoritic samples or in situ exploration of the Mars regolith. Keywords: cyanobacteria, microfossils, Mars, elemental abundances, complexity analysis, multifactor analysis, principal component analysis, hierarchical cluster analysis, artificial neural networks, paleo-biosignatures

Storrie-Lombardi, Michael C.↗

A petabyte size electronic library using the N-Gram memory engine

A model library containing petabytes of data is proposed by Triada, Ltd., Ann Arbor, Michigan. The library uses the newly patented N-Gram Memory Engine (Neurex), for storage, compression, and retrieval. Neurex splits data into two parts: a hierarchical network of associative memories that store 'information' from data and a permutation operator that preserves sequence. Neurex is expected to offer four advantages in mass storage systems. Neurex representations are dense, fully reversible, hence less expensive to store. Neurex becomes exponentially more stable with increasing data flow; thus its contents and the inverting algorithm may be mass produced for low cost distribution. Only a small permutation operator would be recalled from the library to recover data. Neurex may be enhanced to recall patterns using a partial pattern. Neurex nodes are measures of their pattern. Researchers might use nodes in statistical models to avoid costly sorting and counting procedures. Neurex subsumes a theory of learning and memory that the author believes extends information theory. Its first axiom is a symmetry principle: learning creates memory and memory evidences learning. The theory treats an information store that evolves from a null state to stationarity. A Neurex extracts information data without a priori knowledge; i.e., unlike neural networks, neither feedback nor training is required. The model consists of an energetically conservative field of uniformly distributed events with variable spatial and temporal scale, and an observer walking randomly through this field. A bank of band limited transducers (an 'eye'), each transducer in a bank being tuned to a sub-band, outputs signals upon registering events. Output signals are 'observed' by another transducer bank (a mid-brain), except the band limit of the second bank is narrower than the band limit of the first bank. The banks are arrayed as n 'levels' or 'time domains, td.' The banks are the hierarchical network (a cortex) and transducers are (associative) memories. A model Neurex was built and studied. Data were 50 MB to 10 GB samples of text, data base, and images: black/white, grey scale, and high resolution in several spectral bands. Memories at td, S(m(sub td)), were plotted against outputs of memories at td-1. S(m(sub td)) was Boltzman distributed, and memory frequencies exhibited self-organized criticality (SOC); i.e., 'l/f(sup beta)' after long exposures to data. Whereas output signals from level n may be encoded with B(sub output) = O(-log(2)f(sup beta)) bits, and input data encoded with B(sub input) = O((S(td)/S(td-1))(sup n)), B(sup output)/B(sub input) is much less than 1 always, the Neurex determines a canonical code for data and it is a lossless data compressor. Further tests are underway to confirm these results with more data types and larger samples.

Bugajski, Joseph M.↗

A new approach to the linear theory of single-species tearing in two-dimensional quasi-neutral sheets

We have developed the linear theory of collisionless ion tearing in a two-dimensional magnetotail equilibrium for a single resonant species. We have solved the normal mode problem for tearing instability by an algorithm that employs particle-in-cell simulation to calculate the orbit integrals in the Maxwell-Vlasov eigenmode equation. The results of our single-species tearing analysis can be applied to ion tearing where electron effects are not included. We have calculated the tearing growth rate as a function of the magnetic field component B(sub n) normal to the current sheet for thick and thin current sheets, and we show that marginal stability occurs when the normal gyrofrequency Omega(sub n) is comparable to the Harris neutral sheet growth rate. A cross-tail B(sub y) component has little effect on the growth rate for B(sub y) approximately = B(sub n). Even in the limit B(sub y) much greater than B(sub n), the mode is strongly stabilized by B(sub n). We report than random pitch angle scattering can overcome the stabilizing effect of B(sub n) and drive the growth rate up toward the Harris neutral sheet (B(sub n) = 0) value when the pitch angle diffusion rate is comparable to Omega(sub n).

Brittnacher, M.↗

Freeboard, Snow Depth and Sea-Ice Roughness in East Antarctica from In Situ and Multiple Satellite Data

In October 2003 a campaign on board the Australian icebreaker Aurora Australis had the objective to validate standard Aqua Advanced Microwave Scanning Radiometer (AMSR-E) sea-ice products. Additionally, the satellite laser altimeter on the Ice, Cloud and land Elevation Satellite (ICESat) was in operation. To capture the large-scale information on the sea-ice conditions necessary for satellite validation, the measurement strategy was to obtain large-scale sea-ice statistics using extensive sea-ice measurements in a Lagrangian approach. A drifting buoy array, spanning initially 50 km 100 km, was surveyed during the campaign. In situ measurements consisted of 12 transects, 50 500 m, with detailed snow and ice measurements as well as random snow depth sampling of floes within the buoy array using helicopters. In order to increase the amount of coincident in situ and satellite data an approach has been developed to extrapolate measurements in time and in space. Assuming no change in snow depth and freeboard occurred during the period of the campaign on the floes surveyed, we use buoy ice-drift information as well as daily estimates of thin-ice fraction and rough-ice vs smooth-ice fractions from AMSR-E and QuikSCAT, respectively, to estimate kilometer-scale snow depth and freeboard for other days. The results show that ICESat freeboard estimates have a mean difference of 1.8 cm when compared with the in situ data and a correlation coefficient of 0.6. Furthermore, incorporating ICESat roughness information into the AMSR-E snow depth algorithm significantly improves snow depth retrievals. Snow depth retrievals using a combination of AMSR-E and ICESat data agree with in situ data with a mean difference of 2.3 cm and a correlation coefficient of 0.84 with a negligible bias.

Markus, Thorsten↗

Parallelized Convolutional Interleaver Implementation for Efficient DDR Memory Access

Convolutional interleavers are used in many different communications systems to correct for burst errors due to atmospheric fades and scintillation. The interleaver size is related to the channel coherence time and the data rate. Small convolutional interleavers can be implemented in a field programmable gate array (FPGA) block random access memory (BRAM). However, large interleavers exceeding the size of the BRAM on the FPGA are necessary for channels with longer fades and higher data rates. Therefore, an implementation utilizing double data rate (DDR) memory external to the FPGA is necessary. Wide DDR memory data buses can make the use of DDR memory for convolutional interleavers inefficient when individual symbols are written to and read from the memory. DDR memory operational speeds can also limit the data rate of the interleaver. The Consultative Committee for Space Data Systems (CCSDS) Optical Communications High Photon Efficiency (HPE) standard utilizes a convolutional channel symbol interleaver. A previous implementation of the HPE standard utilized BRAM for the convolutional interleaver, but mission requirements for the upcoming Optical Artemis-2 Orion (O2O) communications demonstration dictate the use of an interleaver exceeding the size of the BRAM. An algorithm and method for implementing the convolutional interleaver in the FPGA with DDR memory is described in this paper.

optical communications↗

Parallelized convolutional interleaver implementation for efficient DDR memory access

Convolutional interleavers are used in many different communications systems to correct for burst errors due to atmospheric fades and scintillation. The interleaver size is related to the channel coherence time and the data rate. Small convolutional interleavers can be implemented in a field programmable gate array (FPGA) block random access memory (BRAM). However, large interleavers exceeding the size of the BRAM on the FPGA are necessary for channels with longer fades and higher data rates. Therefore, an implementation utilizing double data rate (DDR) memory external to the FPGA is necessary. Wide DDR memory data buses can make the use of DDR memory for convolutional interleavers inefficient when individual symbols are written to and read from the memory. DDR memory operational speeds can also limit the data rate of the interleaver. The Consultative Committee for Space Data Systems (CCSDS) Optical Communications High Photon Efficiency (HPE) standard utilizes a convolutional channel symbol interleaver. A previous implementation of the HPE standard utilized BRAM for the convolutional interleaver, but mission requirements for the upcoming Optical Artemis-2 Orion (O2O) communications demonstration dictate the use of an interleaver exceeding the size of the BRAM. An algorithm and method for implementing the convolutional interleaver in the FPGA with DDR memory is described in this paper.

Optical communications↗

Wind Retrieval Algorithms for the IWRAP and HIWRAP Airborne Doppler Radars with Applications to Hurricanes

Algorithms for the retrieval of atmospheric winds in precipitating systems from downward-pointing, conically-scanning airborne Doppler radars are presented. The focus in the paper is on two radars: the Imaging Wind and Rain Airborne Profiler(IWRAP) and the High-altitude IWRAP (HIWRAP). The IWRAP is a dual-frequency (Cand Ku band), multi-beam (incidence angles of 30 50) system that flies on the NOAAWP-3D aircraft at altitudes of 2-4 km. The HIWRAP is a dual-frequency (Ku and Kaband), dual-beam (incidence angles of 30 and 40) system that flies on the NASA Global Hawk aircraft at altitudes of 18-20 km. Retrievals of the three Cartesian wind components over the entire radar sampling volume are described, which can be determined using either a traditional least squares or variational solution procedure. The random errors in the retrievals are evaluated using both an error propagation analysis and a numerical simulation of a hurricane. These analyses show that the vertical and along-track wind errors have strong across-track dependence with values of 0.25 m s-1 at nadir to 2.0 m s-1 and 1.0 m s-1 at the swath edges, respectively. The across-track wind errors also have across-track structure and are on average, 3.0 3.5 m s-1 or 10 of the hurricane wind speed. For typical rotated figure four flight patterns through hurricanes, the zonal and meridional wind speed errors are 2 3 m s-1.Examples of measured data retrievals from IWRAP during an eyewall replacement cycle in Hurricane Isabel (2003) and from HIWRAP during the development of Tropical Storm Matthew (2010) are shown.

atmospheric winds↗

Noise Reduction for Solar-Induced Fluorescence Retrievals Using Machine Learning and Principal Component Analysis: Simulations and Applications to GOME-2 Satellite Retrievals

We use a spectral-based approach that employs principal component analysis along with a relatively shallow artificial neural network (NN) to substantially reduce noise and other artifacts in terrestrial chlorophyll solar-induced fluorescence (SIF) retrievals. SIF is a very small emission at red and far-red wavelengths that is difficult to measure and is highly sensitive to random errors and systematic artifacts. Our approach relies upon an assumption that a trained NN can effectively reconstruct the total SIF signal from a relatively small number of leading principal components of the satellite-observed far-red radiance spectra without using information from the trailing modes that contain most of the random errors. We test the approach with simulated reflectance spectra produced with a full atmospheric and surface radiative transfer model using different observing and geophysical parameters and various noise levels. Resulting noisy and noise-reduced retrieved SIF values are compared with true values to assess performance. We then apply our noise reduction approach to SIF derived from two different satellite spectrometers. For evaluation, since the truth in this case is unknown, we compare SIF retrievals from two independent sensors with each other. We also compare the noise-reduced SIF temporal variations with those from an independent gross primary product (GPP) product that should display similar variations. Results show that our noise reduction approach improves capture of SIF seasonal and inter-annual variability. Our approach should be applicable to many noisy data products derived from spectral measurements. Our methodology does not replace the original retrieval algorithms; rather the original noisy retrievals are needed as the target for the NN training process.

noise reduction, solar-induced fluorescence, SIF, ↗

Digital Signal Processing Techniques for the GIFTS SM EDU

The Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) Sensor Module (SM) Engineering Demonstration Unit (EDU) is a high resolution spectral imager designed to measure infrared (IR) radiance using a Fourier transform spectrometer (FTS). The GIFTS instrument employs three Focal Plane Arrays (FPAs), which gather measurements across the long-wave IR (LWIR), short/mid-wave IR (SMWIR), and visible spectral bands. The raw interferogram measurements are radiometrically and spectrally calibrated to produce radiance spectra, which are further processed to obtain atmospheric profiles via retrieval algorithms. This paper describes several digital signal processing (DSP) techniques involved in the development of the calibration model. In the first stage, the measured raw interferograms must undergo a series of processing steps that include filtering, decimation, and detector nonlinearity correction. The digital filtering is achieved by employing a linear-phase even-length FIR complex filter that is designed based on the optimum equiripple criteria. Next, the detector nonlinearity effect is compensated for using a set of pre-determined detector response characteristics. In the next stage, a phase correction algorithm is applied to the decimated interferograms. This is accomplished by first estimating the phase function from the spectral phase response of the windowed interferogram, and then correcting the entire interferogram based on the estimated phase function. In the calibration stage, we first compute the spectral responsivity based on the previous results and the ideal Planck blackbody spectra at the given temperatures, from which, the calibrated ambient blackbody (ABB), hot blackbody (HBB), and scene spectra can be obtained. In the post-calibration stage, we estimate the Noise Equivalent Spectral Radiance (NESR) from the calibrated ABB and HBB spectra. The NESR is generally considered as a measure of the instrument noise performance, and can be estimated as the standard deviation of calibrated radiance spectra from multiple scans. To obtain an estimate of the FPA performance, we developed an efficient method of generating pixel performance assessments. In addition, a random pixel selection scheme is developed based on the pixel performance evaluation. This would allow us to perform the calibration procedures on a random pixel population that is a good statistical representation of the entire FPA. The design and implementation of each individual component will be discussed in details.

Tian, Jialin↗

Marve: Measurement Context Extraction from Text

We propose Marve, a system for extracting measurement values, units, and related words from natural language text. Marve uses conditional random fields (CRF) to identify measurement values and units, followed by a rule-based system to find related entities, descriptors and modifiers within a sentence. Sentence tokens are represented by an undirected graphical model, and rules are based on part-of-speech and word dependency patterns connecting values and units to contextual words. Marve is unique in its focus on measurement context and early experimentation demonstrates Marve’s ability to generate high-precision extractions with strong recall. We also discuss Marve’s role in justifying NASA JPL’s proposed HyspIRI mission, a hyper spectral infrared imaging satellite that will study the world’s ecosystems. In general, our work with HyspIRI demonstrates the value of semantic measurement extractions in characterizing quantitative discussion contained in large corpuses of natural language text. These extractions accelerate broad-cross cu ing literature surveys and expose researchers and scientists new algorithmic approaches and experimental nuances. They also facilitate identification of scientific opportunities enabled by HyspIRI leading to more informed scientific investment and research.

Mattmann, Chris A.↗

On the dynamics of a shock-bubble interaction

We present a detailed numerical study of the interaction of a weak shock wave with an isolated cylindrical gas inhomogenity. Such interactions have been studied experimentally in an attempt to elucidate the mechanisms whereby shock waves propagating through random media enhance mixing. Our study concentrates on the early phases of the interaction process which are dominated by repeated refractions of acoustic fronts at the bubble interface. Specifically, we have reproduced two of the experiments performed by Haas and Sturtevant : M(sub s) = 1.22 planar shock wave, moving through air, impinges on a cylindrical bubble which contains either helium or Refrigerant 22. These flows are modelled using the two-dimensional, compressible Euler equations for a two component fluid (air-helium or air-Refrigerant 22). Although simulations of shock wave phenomena are now fairly commonplace, they are mostly restricted to single component flows. Unfortunately, multi-component extensions of successful single component schemes often suffer from spurious oscillations which are generated at material interfaces. Here we avoid such problems by employing a novel, nonconservative shock-capturing scheme. In addition, we have utilized a sophisticated adaptive mesh refinement algorithm which enables extremely high resolution simulations to be performed relatively cheaply. Thus we have been able to reproduce numerically all the intricate mechanisms that were observed experimentally (e.g., transitions from regular to irregular refraction, cusp formation and shock wave focusing, multi-shock and Mach shock structures, jet formation, etc.), and we can now present an updated description for the dynamics of a shock-bubble interaction.

Quirk, James J.↗

Generalized representative structures for atomistic systems

A new method is presented to generate atomic structures that reproduce the essential characteristics of arbitrary material systems, phases, or ensembles. Previous methods allow one to reproduce the essential characteristics (e.g. the chemical disorder) of a large random alloy within a small crystal structure. The ability to generate small representations of random alloys, along with the restriction to crystal systems, results from using the fixed-lattice cluster correlations to describe structural characteristics. A more general description of the structural characteristics of atomic systems is obtained using complete sets of atomic environment descriptors. These are used within for generating representative atomic structures without restriction to fixed lattices. A general data-driven approach is provided here utilizing the atomic cluster expansion (ACE) basis. The N-body ACE descriptors are a complete set of atomic environment descriptors that span both chemical and spatial degrees of freedom and are used within for describing atomic structures. The generalized representative structure (GRS) method presented within generates small atomic structures that reproduce ACE descriptor distributions corresponding to arbitrary structural and chemical complexity. It is shown that systematically improvable representations of crystalline systems on fixed parent lattices, amorphous materials, liquids, and ensembles of atomic structures may be produced efficiently through optimization algorithms. With the GRS method, we highlight reduced representations of atomistic machine-learning training datasets that contain similar amounts of information and small 40–72 atom representations of liquid phases. The ability to use GRS methodology as a driver for informed novel structure generation is also demonstrated. The advantages over other data-driven methods and state-of-the-art methods restricted to high-symmetry systems are highlighted.

atomic cluster expansion↗

Large-Eddy Simulation Code Developed for Propulsion Applications

A large-eddy simulation (LES) code was developed at the NASA Glenn Research Center to provide more accurate and detailed computational analyses of propulsion flow fields. The accuracy of current computational fluid dynamics (CFD) methods is limited primarily by their inability to properly account for the turbulent motion present in virtually all propulsion flows. Because the efficiency and performance of a propulsion system are highly dependent on the details of this turbulent motion, it is critical for CFD to accurately model it. The LES code promises to give new CFD simulations an advantage over older methods by directly computing the large turbulent eddies, to correctly predict their effect on a propulsion system. Turbulent motion is a random, unsteady process whose behavior is difficult to predict through computer simulations. Current methods are based on Reynolds-Averaged Navier- Stokes (RANS) analyses that rely on models to represent the effect of turbulence within a flow field. The quality of the results depends on the quality of the model and its applicability to the type of flow field being studied. LES promises to be more accurate because it drastically reduces the amount of modeling necessary. It is the logical step toward improving turbulent flow predictions. In LES, the large-scale dominant turbulent motion is computed directly, leaving only the less significant small turbulent scales to be modeled. As part of the prediction, the LES method generates detailed information on the turbulence itself, providing important information for other applications, such as aeroacoustics. The LES code developed at Glenn for propulsion flow fields is being used to both analyze propulsion system components and test improved LES algorithms (subgrid-scale models, filters, and numerical schemes). The code solves the compressible Favre-filtered Navier- Stokes equations using an explicit fourth-order accurate numerical scheme, it incorporates a compressible form of Smagorinsky s model for the subgrid-scale turbulence, and it uses generalized curvilinear coordinates to allow analysis of a wide range of geometries. The code runs in parallel on shared memory multiprocessor computers and is written in Fortran 90 with dynamic memory allocation. A sample result for a Mach-1.4 round jet is presented in the figure. Instantaneous Mach number contours in several cross-planes downstream of the nozzle exit are shown, illustrating how an LES captures the large unsteady three-dimensional turbulent structures present in the jet.

DeBonis, James R.↗