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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,153 records · Page 64

The Effect of Sensor Failure on the Attitude and Rate Estimation of MAP Spacecraft

This work describes two algorithms for computing the angular rate and attitude in case of a gyro and a Star Tracker failure in the Microwave Anisotropy Probe (MAP) satellite, which was placed in the L2 parking point from where it collects data to determine the origin of the universe. The nature of the problem is described, two algorithms are suggested, an observability study is carried out and real MAP data are used to determine the merit of the algorithms. It is shown that one of the algorithms yields a good estimate of the rates but not of the attitude whereas the other algorithm yields a good estimate of the rate as well as two of the three attitude angles. The estimation of the third angle depends on the initial state estimate. There is a contradiction between this result and the outcome of the observability analysis. An explanation of this contradiction is given in the paper. Although this work treats a particular spacecraft, its conclusions are more general.

Bar-Itzhack, Itzhack Y.↗

Multi-qubit entanglement and algorithms on a neutral-atom quantum computer

Gate model quantum computers promise to solve currently intractable computational problems if they can be operated at scale with long coherence times and high fidelity logic. Neutral atom hyperfine qubits provide inherent scalability due to their identical characteristics, long coherence times, and ability to be trapped in dense multi-dimensional arrays. Combined with the strong entangling interactions provided by Rydberg states, all the necessary characteristics for quantum computation are available. Here we demonstrate several quantum algorithms on a programmable gate model neutral atom quantum computer in an architecture based on individual addressing of single atoms with tightly focused optical beams scanned across a two-dimensional array of qubits. Preparation of entangled Greenberger-Horne-Zeilinger (GHZ) states with up to 6 qubits, quantum phase estimation for a chemistry problem, and the Quantum Approximate Optimization Algorithm (QAOA) for the MaxCut graph problem are demonstrated. These results highlight the emergent capability of neutral atom qubit arrays for universal, programmable quantum computation, as well as preparation of non-classical states of use for quantum enhanced sensing.

97 MATHEMATICS AND COMPUTING↗

A parallel simulated annealing algorithm for standard cell placement on a hypercube computer

A parallel version of a simulated annealing algorithm is presented which is targeted to run on a hypercube computer. A strategy for mapping the cells in a two dimensional area of a chip onto processors in an n-dimensional hypercube is proposed such that both small and large distance moves can be applied. Two types of moves are allowed: cell exchanges and cell displacements. The computation of the cost function in parallel among all the processors in the hypercube is described along with a distributed data structure that needs to be stored in the hypercube to support parallel cost evaluation. A novel tree broadcasting strategy is used extensively in the algorithm for updating cell locations in the parallel environment. Studies on the performance of the algorithm on example industrial circuits show that it is faster and gives better final placement results than the uniprocessor simulated annealing algorithms. An improved uniprocessor algorithm is proposed which is based on the improved results obtained from parallelization of the simulated annealing algorithm.

Jones, Mark Howard↗

On the Cauchy Problem for the Wave Equation with Data on the Boundary

The Cauchy problem for the wave equation in Ω × ℝ with data given on some part of the boundary ∂Ω × ℝ is considered. A reconstruction algorithm for this problem based on analytic expressions is given. This result is applicable to the problem of determining a nonstationary wave field arising in geophysics, photoacoustic tomography, tsunami wave source recovery.

97 MATHEMATICS AND COMPUTING↗

A Trilateration Scheme for Relative Positioning

We introduce a trilateration scheme that evaluates the 3-dimensional (3-D) relative position between a reference spacecraft and a target spacecraft using raw-range measurements from a distance baseline of known locations, which we call “anchors”. The anchors can be antennas of a ground-based network (e.g., Deep Space Network (DSN) or Near Earth Network (NEN) stations), or satellites of a spacebased network (e.g., global positioning system (GPS) or tracking and data relay satellite (TDRS)). We define raw-range as the range that includes all the systematic errors that occur during range measurements. A unique feature of this approach is that accurate relative position is derived from a “differencing function” of raw-range measurements of the reference spacecraft and target spacecraft, thereby eliminating most of the systematic errors, such as media effects, ephemeris errors, instrument delays, clock bias, etc. There can be an arbitrary number of target spacecraft, and relative positioning of target spacecraft with respect to the reference spacecraft can be done simultaneously. In this paper, we first assume an idealized system in which clocks on the reference and target spacecraft are synchronized, with clocks of the anchors synchronized as well. We develop a novel iterative algorithm that computes the relative position of the target spacecraft with respect to the reference spacecraft. We illustrate the relative positioning method using the scenario of a network of three ground stations (i.e., the anchors) at Goldstone, California, USA, Madrid, Spain, and Marlargue, Argentina tracking two spacecraft at geosynchronous orbit distance. We demonstrate that the algorithm converges to submeter accuracy in estimating the relative position, in the presence of random errors and systematic errors in raw-range measurements, and in the presence of angular errors in estimating the pointing vectors between the anchors and the reference spacecraft. Next, we relax the requirement of perfect time synchronization between spacecraft, and show that by using an additional anchor, one can estimate and remove the clock biases between the reference and target spacecraft. We add a ground station at Kourou to the above example of three ground stations of Goldstone, Madrid, and Marlargue, and demonstrate that the updated algorithm also converges to meter-level accuracy (submeter in some cases) in the presence of clock biases in addition to the random errors, systematic errors, and angular errors as shown in the above case. We compare this scheme with a similar trilateration scheme for relative positioning scheme first proposed by Montenbruck in 2002.

Cheung, Kar-Ming↗

Heading Toward Launch with the Integrated Multi-Satellite Retrievals for GPM (IMERG)

The Day-l algorithm for computing combined precipitation estimates in GPM is the Integrated Multi-satellitE Retrievals for GPM (IMERG). We plan for the period of record to encompass both the TRMM and GPM eras, and the coverage to extend to fully global as experience is gained in the difficult high-latitude environment. IMERG is being developed as a unified U.S. algorithm that takes advantage of strengths in the three groups that are contributing expertise: 1) the TRMM Multi-satellite Precipitation Analysis (TMPA), which addresses inter-satellite calibration of precipitation estimates and monthly scale combination of satellite and gauge analyses; 2) the CPC Morphing algorithm with Kalman Filtering (KF-CMORPH), which provides quality-weighted time interpolation of precipitation patterns following cloud motion; and 3) the Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks using a Cloud Classification System (PERSIANN-CCS), which provides a neural-network-based scheme for generating microwave-calibrated precipitation estimates from geosynchronous infrared brightness temperatures. In this talk we summarize the major building blocks and important design issues driven by user needs and practical data issues. One concept being pioneered by the IMERG team is that the code system should produce estimates for the same time period but at different latencies to support the requirements of different groups of users. Another user requirement is that all these runs must be reprocessed as new IMERG versions are introduced. IMERG's status at meeting time will be summarized, and the processing scenario in the transition from TRMM to GPM will be laid out. Initially, IMERG will be run with TRMM-based calibration, and then a conversion to a GPM-based calibration will be employed after the GPM sensor products are validated. A complete reprocessing will be computed, which will complete the transition from TMPA.

Huffman, George J.↗

A Combined Computer Vision and Deep Learning Approach for Rapid Drone-Based Optical Characterization of Parabolic Troughs

Optical accuracy is a primary driver of parabolic trough concentrating solar power (CSP) plant performance, but can be damaged by wind loads, gravity, error during installation, and regular plant operation. Collecting and analyzing optical measurements over an entire operating parabolic trough plant is difficult, given the large scale of typical installations. Distant Observer, a software tool developed at the National Renewable Energy Laboratory, uses images of the absorber tube reflected in the collector mirror to measure both surface slope in the parabolic mirror and offset of the absorber tube from the ideal focal point. This technology has been adapted for fast data collection using low-cost commercial drones, but until recently still required substantial human labor to process large amounts of data. A new method leveraging advanced deep learning and computer vision tools can drastically reduce the time required to process images. This new method addresses the primary analysis bottleneck, identifying featureless, reflective mirror corner points to a high degree of accuracy. Recent work has shown promising results using computer vision methods. The combined deep learning and computer vision approach presented here proved highly effective and has the potential to further automate data collection and analysis, making the tool more robust. The method presented in this paper automatically identified 74.3% of mirror corners within 2 pixels of their manually marked counterparts and 91.9% within 3 pixels. This level of accuracy is sufficient for practical Distant Observer analysis within a target uncertainty. A commercial drone collected video of over 100 parabolic trough modules at an operating CSP plant to demonstrate the deep learning and computer vision method's usefulness in processing large amounts of data. These troughs were successfully analyzed using Distant Observer, paired with the new deep learning and computer vision algorithm, and can provide plant operators and trough designers with valuable insight about plant performance, operating strategies, and plant-wide optical error trends.

computer vision↗

BISON Methods and Contact Algorithms

This paper reviews five critical algorithms for BISON’s simulation of nuclear fuel: the burnup model, the coolant channel model, fuel cracking models, mechanical contact, and thermal contact.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantitative Parameter Estimation, Model Selection, and Variable Selection in Battery Science

Numerical physics-based models are useful in understanding battery performance and devel- oping optimal battery design architectures. Data science developments have enabled software algorithms to perform data analysis and decision making that traditionally could only be per- formed by technical experts. Traditional workflows of model development - manual parameter estimation through visual comparison of simulations to experimental observations, and model discrimination through expert intuition - are time-consuming, and difficult to justify. This paper compares the conclusions derived from computationally scalable algorithms to conclu- sions developed by expert researchers. This paper illustrates how data science techniques, such as cross-validation and lasso regression, can be used to augment physics-based simulations to perform data analysis such as parameter estimation, model selection, variable selection, and model-guided design of experiment. The validation of these algorithms is that they produce results similar to those of the expert modeler. The algorithms outlined are well-established and the approaches are general, so can be applied to a variety of battery chemistries and architectures. The conclusions reached using these approaches are in agreement with expert analysis (literature results), were reached with minimal human intervention, and provide quantitative justification. By minimizing the amount of expert time, and providing rigorous quantitative justifications, these methods may accelerate battery development.

25 ENERGY STORAGE↗

Theoretical framework for new magnetic materials for quantum computing and information storage. Final report for the Award No. DE-SC0018910

The focus of this grant was on molecular magnetic materials for information storage and quantum computing. We have been developing robust, first-principle methods for computing relevant electronic and magnetic properties of molecular building blocks (SMMs) of novel magnetic materials and quantum computers. These tools enable theoretical modeling of SMMs’ behavior, facilitating the interpretation of experimental studies and aiding the design of novel magnetic materials. Our strategy is based on the spin-flip (SF) approach, which extends the hierarchy of black-box single-reference methods to strongly correlated systems. Specifically, we developed general scalable algorithms and computer codes for calculating molecular properties, with an emphasis on spin-related properties, such as zero-field splittings, hyperfine couplings, and g-tensors. While our primary focus was on SF wave functions and SF-TDDFT, the underlying theory and computer codes were formulated using reduced density matrices, such that these tools are applicable to a broader class of methods. To extend the scope of applicability of wave-function-based SF methods to larger systems, we developed reduced-scaling approaches for the equation-of-motion coupled-cluster (EOM-CC) methods and continue developing libtensor (our open-source general tensor contraction library for many-body methods). We carried out extensive benchmarks and also carried out several applications.

36 MATERIALS SCIENCE↗

Multiomics Data Collection, Visualization, and Utilization for Guiding Metabolic Engineering

Biology has changed radically in the past two decades, growing from a purely descriptive science into also a design science. The availability of tools that enable the precise modification of cells, as well as the ability to collect large amounts of multimodal data, open the possibility of sophisticated bioengineering to produce fuels, specialty and commodity chemicals, materials, and other renewable bioproducts. However, despite new tools and exponentially increasing data volumes, synthetic biology cannot yet fulfill its true potential due to our inability to predict the behavior of biological systems. Here, we showcase a set of computational tools that, combined, provide the ability to store, visualize, and leverage multiomics data to predict the outcome of bioengineering efforts. We show how to upload, visualize, and output multiomics data, as well as strain information, into online repositories for several isoprenol-producing strain designs. We then use these data to train machine learning algorithms that recommend new strain designs that are correctly predicted to improve isoprenol production by 23%. This demonstration is done by using synthetic data, as provided by a novel library, that can produce credible multiomics data for testing algorithms and computational tools. In short, this paper provides a step-by-step tutorial to leverage these computational tools to improve production in bioengineered strains.

09 BIOMASS FUELS↗

The analysis of convolutional codes via the extended Smith algorithm

Convolutional codes have been the central part of most error-control systems in deep-space communication for many years. Almost all such applications, however, have used the restricted class of (n,1), also known as 'rate 1/n,' convolutional codes. The more general class of (n,k) convolutional codes contains many potentially useful codes, but their algebraic theory is difficult and has proved to be a stumbling block in the evolution of convolutional coding systems. In this article, the situation is improved by describing a set of practical algorithms for computing certain basic things about a convolutional code (among them the degree, the Forney indices, a minimal generator matrix, and a parity-check matrix), which are usually needed before a system using the code can be built. The approach is based on the classic Forney theory for convolutional codes, together with the extended Smith algorithm for polynomial matrices, which is introduced in this article.

Mceliece, R. J.↗

Recoil-safe subtraction, matching and merging in e$^{+}$e$^{−}$ → hadrons

We present the first next-to-leading order matched and multi-jet merged predictions based on the Alaric parton shower. The components needed for infrared subtraction in the S-Mc@Nlo algorithm are computed analytically for the case of color singlet decays to hadronic final states and validated against existing approaches for up to e$^{−}$e$^{+}$ → 5 jets. Phenomenological results for e$^{−}$e$^{+}$ → hadrons at the Z pole are obtained with up to five jets at next-to-leading order precision, for the first time using an evolution algorithm with NLL-preserving kinematics mapping.

Höche, Stefan [Fermilab] (ORCID:0000000213706059)↗

Training quantum neural networks using the quantum information bottleneck method

Abstract We provide in this paper a concrete method for training a quantum neural network to maximize the relevant information about a property that is transmitted through the network. This is significant because it gives an operationally well founded quantity to optimize when training autoencoders for problems where the inputs and outputs are fully quantum. We provide a rigorous algorithm for computing the value of the quantum information bottleneck quantity within error ε that requires O ( log 2 ⁡ ( 1 / ϵ ) + 1 / δ 2 ) queries to a purification of the input density operator if its spectrum is supported on { 0 } ⋃ [ δ , 1 − δ ] for δ > 0 and the kernels of the relevant density matrices are disjoint. We further provide algorithms for estimating the derivatives of the QIB function, showing that quantum neural networks can be trained efficiently using the QIB quantity given that the number of gradient steps required is polynomial.

Çatlı, Ahmet Burak (ORCID:0000000152294141)↗

Evolutionary Optimization of a Geometrically Refined Truss

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Hull, P. V.↗

Earth Radiation Budget Climate Record Composed of Multiple Satellite Observations

Effects of cloud diurnal cycle on top-of-atmosphere (TOA) and surface regional monthly mean irradiances, climatological mean, and anomalies are analyzed using CERES derived TOA irradiances and surface irradiances computed with MODIS derived cloud properties. Cloud properties derived from Terra and Aqua MODIS are sufficient to capture cloud diurnal cycle to compute regional monthly mean surface irradiances. While missing cloud diurnal cycle leads to a biased TOA and surface regional irradiances for regions with a strong cloud diurnal cycle, monthly regional TOA and surface anomalies derived from one sun-synchronous orbit agrees well with those derived from two sun-synchronous orbits. Based on these results, the algorithm to produce Edition 4.2 CERES EBAF product is developed. Regional TOA and surface climatological means derived from one sun-synchronous orbit are adjusted to match corresponding climatological means derived from Terra+Aqua observations. This climatological adjustment approach is used to merge the Terra only period to the Terra+Aqua period and to extend the Terra and Aqua record by merging NOAA20 observations. Two additional differences of Edition 4.2 EBAF algorithm to compute surface irradiances compared to the earlier version are: 1) no geostationary satellite derived cloud properties are used and 2) temperature and humidity from MERRA-2 instead of GEOIS-5.4.1 are used. Once surface monthly regional mean irradiances are compared with surface observations, the agreement is equivalent to the agreement with the earlier version. However, because surface irradiances are not affected by geostationary satellite artifacts, regional surface irradiance anomaly time series is significantly improved, especially for longwave irradiances.

Seiji Kato↗

Grid generation for general 2-D regions using hyperbolic equations

A method for applying a hyperbolic grid generation scheme to the construction of meshes in general 2-D regions has been developed. This approach, which follows the theory developed by Steger and Chaussee (1980) and the algorithm outlined by Kinsey and Barth (1984), is based on improving local grid control. This is accomplished by adding an angle control source term to the equations and using a new algorithm for computing the volume source term. These modifications lead to superior methods for fixing the 'local' problems of hyperbolic grid generation, namely, propagation of initial discontinuities and formation of grid shocks (crossing grid lines). More importantly, a method for solving the global problem of constraining the grid with more than one boundary (internal grid generation) has been developed. These algorithms have been implemented in an interactive grid generation program and the results for several geometries are presented and discussed.

Cordova, Jeffrey Q.↗

Evolutionary optimization of a Genetically Refined Truss

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This paper will present a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: Genetic Algorithms and Differential Evolution to successfully optimize a benchmark structural optimization problem. An non-traditional solution to the benchmark problem is presented in this paper, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Hull, Patrick V.↗