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DOE OSTI2022

Mapping structural heterogeneity at the nanoscale with scanning nano-structure electron microscopy (SNEM)

Here, in this work, we explore the use of scanning electron diffraction (also known as 4D-STEM) coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order (structure and chemistry) as a function of position in a complex multicomponent system, a hot rolled, Ni-encapsulated, Zr 65 Cu 17.5 Ni 10 Al 7.5 bulk metallic glass (BMG), with a spatial resolution of 3 nm. We show that it is possible to gain insight into the chemistry and chemical clustering/ordering tendency in different regions of the sample, including in the vicinity of nano-scale crystallites that are identified from virtual dark field images and in heavily deformed regions at the edge of the BMG. In addition to simpler analysis, unsupervised machine learning was used to extract partial PDFs from the material, modeled as a quasi-binary alloy, and map them in space. These maps allowed key insights not only into the local average composition, as validated by EELS, but also a unique insight into chemical short-range ordering tendencies in different regions of the sample during formation. The experiments are straightforward and rapid and, unlike spectroscopic measurements, don’t require energy filters on the instrument. We spatially map different quantities of interest (QoI’s), defined as scalars that can be computed directly from positions and widths of ePDF peaks or parameters refined from fits to the patterns. We developed a flexible and rapid data reduction and analysis software framework that allows experimenters to rapidly explore images of the sample on the basis of different QoI’s. The power and flexibility of this approach are explored and described in detail. Because of the fact that we are getting spatially resolved images of the nanoscale structure obtained from ePDFs we call this approach scanning nano-structure electron microscopy (SNEM), and we believe that it will be powerful and useful extension of current 4D-STEM methods.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Single-Receiver GPS Phase Bias Resolution

Existing software has been modified to yield the benefits of integer fixed double-differenced GPS-phased ambiguities when processing data from a single GPS receiver with no access to any other GPS receiver data. When the double-differenced combination of phase biases can be fixed reliably, a significant improvement in solution accuracy is obtained. This innovation uses a large global set of GPS receivers (40 to 80 receivers) to solve for the GPS satellite orbits and clocks (along with any other parameters). In this process, integer ambiguities are fixed and information on the ambiguity constraints is saved. For each GPS transmitter/receiver pair, the process saves the arc start and stop times, the wide-lane average value for the arc, the standard deviation of the wide lane, and the dual-frequency phase bias after bias fixing for the arc. The second step of the process uses the orbit and clock information, the bias information from the global solution, and only data from the single receiver to resolve double-differenced phase combinations. It is called "resolved" instead of "fixed" because constraints are introduced into the problem with a finite data weight to better account for possible errors. A receiver in orbit has much shorter continuous passes of data than a receiver fixed to the Earth. The method has parameters to account for this. In particular, differences in drifting wide-lane values must be handled differently. The first step of the process is automated, using two JPL software sets, Longarc and Gipsy-Oasis. The resulting orbit/clock and bias information files are posted on anonymous ftp for use by any licensed Gipsy-Oasis user. The second step is implemented in the Gipsy-Oasis executable, gd2p.pl, which automates the entire process, including fetching the information from anonymous ftp

Bertiger, William I.↗

NASA NTRS2010

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor↗

NASA NTRS1994

XMM instrument on-board software maintenance concept

While the pre-launch responsibility for the production, validation and maintenance of instrument on-board software traditionally lies with the experimenter, the post-launch maintenance has been the subject of ad hoc arrangements with the responsibility shared to different extent between the experimenter, ESTEC and ESOC. This paper summarizes the overall design and development of the instruments on-board software for the XMM satellite, and describes the concept adopted for the maintenance of such software post-launch. The paper will also outline the on-board software maintenance and validation facilities and the expected advantages to be gained by the proposed strategy. Conclusions with respect to adequacy of this approach will be presented as well as recommendations for future instrument on-board software developments.

Peccia, N.↗

NASA NTRS1989

Towards real-time simulation of large space structures: Stabilization of fluid/thermal/structure interactions and implementation on high performance supercomputers

Within the Center for Space Construction, the SIMSTRUC project's objectives center around the development of simulation tools for the realistic analysis of large space structures. The word 'tools' is the broad sense; it designates mathematical models, finite element/finite difference formulations, computational algorithms, implementations on advanced computer architectures, and visualization capabilities. The results of our activities during the first year within the SIMSTRUC project are reported. On the modeling side, an alternative approach to fluid/thermal/structure interaction analysis that is a departure from the 'loosely coupled' and 'unified' approaches that are being currently practiced are described. The advantages of our approach both in terms of accuracy and computational efficiency were demonstrated. On the computational side, a software architecture for parallel/vector and massively parallel supercomputers that speeds up finite element and finite difference computations by several orders of magnitude is presented. As an example, the simulation of the deployment of a space structure that used to require over six hours of a workstation using a conventional finite element software, now runs on a multiprocessor using a parallel computation strategy in less than three seconds. In order to promote the physical understanding of the simulation behavior, a real-time visualization capability on the Connection Machine, which allows the analyst to watch the graphical animation of the results at the same time these are generated, was also developed. It is believed that by combining efficient analytical formulations with the state-of-the-art high performance computer implementations and superfast visualization capabilities, SIMSTRUC is moving fast towards the real-time simulation of large space structures. The designers as well as the researchers will certainly benefit from this technology.

Farhat, C.↗

NASA NTRS2004

Program Analyzes Radar Altimeter Data

A computer program has been written to perform several analyses of radar altimeter data. The program was designed to improve on previous methods of analysis of altimeter engineering data by (1) facilitating and accelerating the analysis of large amounts of data in a more direct manner and (2) improving the ability to estimate performance of radar-altimeter instrumentation and provide data corrections. The data in question are openly available to the international scientific community and can be downloaded from anonymous file-transfer- protocol (FTP) locations that are accessible via links from altimetry Web sites. The software estimates noise in range measurements, estimates corrections for electromagnetic bias, and performs statistical analyses on various parameters for comparison of different altimeters. Whereas prior techniques used to perform similar analyses of altimeter range noise require comparison of data from repetitions of satellite ground tracks, the present software uses a high-pass filtering technique to obtain similar results from single satellite passes. Elimination of the requirement for repeat-track analysis facilitates the analysis of large amounts of satellite data to assess subtle variations in range noise.

Vandemark, Doug↗

NASA NTRS1980

An overview of software design languages

The nature and use of design languages and associated processors that are used in software development are reviewed with reference to development work on the Galileo spacecraft project, a Jupiter orbiter scheduled for launch in 1984. The major design steps are identified (functional design, architectural design, detailed design, coding, and testing), and the purpose, functions and the range of applications of design languages are examined. Then the general character of any design language is analyzed in terms of syntax and semantics. Finally, the differences and similarities between design languages are illustrated by examining two specific design languages: Software Design and Documentation language and Problem Statement Language/Problem Statement Analyzer.

Callender, E. D.↗

NASA NTRS1998

Buckets: Aggregative, Intelligent Agents for Publishing

Buckets are an aggregative, intelligent construct for publishing in digital libraries. The goal of research projects is to produce information. This information is often instantiated in several forms, differentiated by semantic types (report, software, video, datasets, etc.). A given semantic type can be further differentiated by syntactic representations as well (PostScript version, PDF version, Word version, etc.). Although the information was created together and subtle relationships can exist between them, different semantic instantiations are generally segregated along currently obsolete media boundaries. Reports are placed in report archives, software might go into a software archive, but most of the data and supporting materials are likely to be kept in informal personal archives or discarded altogether. Buckets provide an archive-independent container construct in which all related semantic and syntactic data types and objects can be logically grouped together, archived, and manipulated as a single object. Furthermore, buckets are active archival objects and can communicate with each other, people, or arbitrary network services.

Nelson, Michael L.↗

NASA NTRS1992

ROSAT data analysis with EXSAS

For the x-ray observatory ROSAT, data from survey and pointed mission phases taken with different focal plane instruments and according to a complex mission timeline have to be handled. Data analysis therefore puts high demands on appropriate software tools. With EXSAS - the Extended Scientific Analysis System developed with an effort of 20 man years by the German ROSAT Scientific Data Center - a comfortable system for the reduction of data from the ROSAT x-ray and XUV instruments has been made available. EXSAS comprises a large collection of application modules as typically required in analyzing data of this wavelength regime and runs as a specific context in the wide-spread ESO-MIDAS environment. EXSAS, completely written in FORTRAN 77, takes full advantage of all the standards used in MIDAS and therefore, reflects the same portability (different UNIX installations and VMS). If required, the FORTRAN code also enables users to adapt the software in an easy way to their specific needs. To maintain independence from the specifics of different operating systems also on the data input side, all ROSAT data redistributed in the widely accepted FITS format. Although EXSAS has been developed specifically for data analysis of the ROSAT instruments, its structural design is sufficiently general to serve equally well also data from other X-ray and XUV instruments. EXSAS analysis modules are grouped into 4 application packages dealing with Data Preparation and Instrument Correction, Spatial Analysis, Spectral Analysis and Timing Analysis. A special EXSAS header, read and updated by each application, maintains the general information transfer on the origin, the history and the parameter space of the data stored in tables and images. About 100 genuine commands (most of which offer several additional options) allow to interactively explore the functionality of the system. Up to now 40 institutes all over the world have requested the EXSAS software. Maintenance and regular updates of the software and the comprehensive documentation are provided by the ROSAT Scientific Data Center at Garching.

Zimmermann, H. U.↗

NASA NTRS2018

Required Time of Arrival as a Control Mechanism to Mitigate Uncertainty in Arrival Traffic Demand Management

The objective of this study is to explore the use of Required Time of Arrival (RTA) capability on the flight deck as a control mechanism on arrival traffic management to improve traffic delivery accuracy by mitigating the effect of traffic demand uncertainty. The uncertainties are caused by various factors, such as departure error due to the difference between scheduled departure and the actual take-off time. A simulation study was conducted using the Multi Aircraft Control System (MACS) software, a comprehensive research platform developed in the Airspace Operations Laboratory (AOL) at NASA Ames Research Center. The Crossing Time (CT) performance (i.e. the difference between target crossing time and actual crossing time) of the RTA for uncertainty mitigation during cruise phase was evaluated under the influence of varying two main factors: wind severity (heavy wind vs. mild wind), and wind error (1 hour, 2 hours, and 5 hours wind forecast errors). To examine the CT performance improvement made by the RTA, the comparison to the CT of the aircraft that were not assigned with RTA (Non-RTA) under the influence of the selected factors was also made. The Newark Liberty International Airport (EWR) was chosen for this study. A total 66 inbound traffic to the EWR (34 of them were airborne when the simulation was initiated, 32 were pre-departures at that time) was simulated, where the pre-scripted departure error was assigned to each pre-departure (61 conform to their Expected Departure Clearance Time, which is +-300 seconds of their scheduled departure time). The results of the study show that the delivery accuracy improvement can be achieved by assigning RTA, regardless of the influence of the selected two factors (the wind severity and the wind information inaccuracy). Across all wind variances, 66.9 (265 out of 396) of the CT performance of the RTA assigned aircraft was within +- 60 seconds (i.e. target tolerance range) and 88.9 (352 out of 396) aircraft met +-300 seconds marginal tolerance range, while only 33.6 (133 out of 396) of the Non-RTA assigned aircrafts CT performance achieved the target tolerance range and 75.5 (299 out of 396) stayed within the marginal. Examination of the impact of different error sources i.e. departure error, wind severity, and wind error suggest that although large departure errors can significantly impact the CT performance, the impacts of wind severity and errors were modest relative the targeted +- 60 second conformance range.

required time of arrival (RTA)↗

NASA NTRS1997

Estimating Attitude, Trajectory, and Gyro Biases in an Extended Kalman Filter using Earth Magnetic Field Data from the Rossi X-Ray Timing Explorer

Traditionally satellite attitude and trajectory have been estimated with completely separate systems, using different measurement data. The estimation of both trajectory and attitude for low earth orbit satellites has been successfully demonstrated in ground software using magnetometer and gyroscope data. Since the earth's magnetic field is a function of time and position, and since time is known quite precisely, the differences between the computed and measured magnetic field components, as measured by the magnetometers throughout the entire spacecraft orbit, are a function of both the spacecraft trajectory and attitude errors. Therefore, these errors can be used to estimate both trajectory and attitude. This work further tests the single augmented Extended Kalman Filter (EKF) which simultaneously and autonomously estimates spacecraft trajectory and attitude with data from the Rossi X-Ray Timing Explorer (RXTE) magnetometer and gyro-measured body rates. In addition, gyro biases are added to the state and the filter's ability to estimate them is presented.

Deutschmann, Julie↗

DOE OSTI2020

Sparse Matrix-Based HPC Tomography

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster frame rates, larger fields of view or higher resolution, so high performance solutions are currently widely used for analysis. Tomographic instruments can vary significantly from one to another, including the hardware employed for reconstruction: from single CPU workstations to large scale hybrid CPU/GPU supercomputers. Furthermore, flexibility on the software interfaces and reconstruction engines are also highly valued to allow for easy development and prototyping. This paper presents a novel software framework for tomographic analysis that tackles all aforementioned requirements. The proposed solution capitalizes on the increased performance of sparse matrix-vector multiplication and exploits multi-CPU and GPU reconstruction over MPI. Furthermore, the solution is implemented in Python and relies on CuPy for fast GPU operators and CUDA kernel integration, and on SciPy for CPU sparse matrix computation. As opposed to previous tomography solutions that are tailor-made for specific use cases or hardware, the proposed software is designed to provide flexible, portable and high-performance operators that can be used for continuous integration at different production environments, but also for prototyping new experimental settings or for algorithmic development. The experimental results demonstrate how our implementation can even outperform state-of-the-art software packages used at advanced X-ray sources worldwide.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1999

Transformation Systems at NASA Ames

In this paper, we describe the experiences of the Automated Software Engineering Group at the NASA Ames Research Center in the development and application of three different transformation systems. The systems span the entire technology range, from deductive synthesis, to logic-based transformation, to almost compiler-like source-to-source transformation. These systems also span a range of NASA applications, including solving solar system geometry problems, generating data analysis software, and analyzing multi-threaded Java code.

Buntine, Wray↗

NASA NTRS2016

Automation of Flight Software Regression Testing

NASA is developing the Space Launch System (SLS) to be a heavy lift launch vehicle supporting human and scientific exploration beyond earth orbit. SLS will have a common core stage, an upper stage, and different permutations of boosters and fairings to perform various crewed or cargo missions. Marshall Space Flight Center (MSFC) is writing the Flight Software (FSW) that will operate the SLS launch vehicle. The FSW is developed in an incremental manner based on "Agile" software techniques. As the FSW is incrementally developed, testing the functionality of the code needs to be performed continually to ensure that the integrity of the software is maintained. Manually testing the functionality on an ever-growing set of requirements and features is not an efficient solution and therefore needs to be done automatically to ensure testing is comprehensive. To support test automation, a framework for a regression test harness has been developed and used on SLS FSW. The test harness provides a modular design approach that can compile or read in the required information specified by the developer of the test. The modularity provides independence between groups of tests and the ability to add and remove tests without disturbing others. This provides the SLS FSW team a time saving feature that is essential to meeting SLS Program technical and programmatic requirements. During development of SLS FSW, this technique has proved to be a useful tool to ensure all requirements have been tested, and that desired functionality is maintained, as changes occur. It also provides a mechanism for developers to check functionality of the code that they have developed. With this system, automation of regression testing is accomplished through a scheduling tool and/or commit hooks. Key advantages of this test harness capability includes execution support for multiple independent test cases, the ability for developers to specify precisely what they are testing and how, the ability to add automation, and the ability of the harness and cases to be executed continually. This test concept is an approach that can be adapted to support other projects.

Tashakkor, Scott B.↗

DOE OSTI2023

ExoToComsol v.0.1

SAND2024-08641O ExoToComsol models capability-sharing. For example, the software can develop a multiphysics modeling chain using physics modeling capabilities from different research institutions using either SIERRA or COMSOL. The converter program allows exporting user-defined, region-of-interest from a large FE model, which results in a finer mesh of the submodel that can be used for subsequent analysis. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rahman, Farhan↗

DOE OSTI2025

Plant Characteristics, Porewater, Gas Flux, and Soil Biogeochemistry at Council Road Site Mile Marker 71, Seward Peninsula, Alaska, 2023

Data collected at Council, AK (64°51’35.0”N 163°41’59.1”W) during a summer campaign in 2023. Water data consists of soil porewater collected by centrifuging soil cores and also by field collection with porewater samplers (rhizons). Gas data consists of CO2, CH4 and N2O surface soil fluxes measured with a portable FTIR analyzer. Plant and root data consists of biomass, root length, diameter and mass. Soil data consists of total C and N. Air, water and soil samples span two main locations: a thermokarst wetland and an upland tussock. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).This dataset was generated to broadly address the following research question: how will climate change (i.e., thawing permafrost, landscape change) alter the ecosystem flux (sink versus source) of important greenhouse gases such as CO2, CH4 and N2O?Description of the contents of this data package: This dataset contains 5 different individual .csv files containing plant, soil, water and gas data. No software is needed to utilize them. PFTCover: Plant functional type ground cover in 1x1 meter plots. SoilCores: Solidphase and porewater phase soil biogeochemical variablesPlantData: Above and belowground plant traits. GasFlux: Surface plant-soil gas measurementsFieldPorewater: Field collected porewater biogeochemical variables

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1980

Differential correction capability of the GTDS using TDRSS data

A differential correction (DC) capability was implemented in the Goddard Trajectory Determination System (GTDS) to process satellite tracking data acquired via the Tracking and Data Relay Satellite System (TRDRSS). Configuration of the TDRSS is reviewed, observation modeling is presented, and major features of the capability are discussed. The following types of TDRSS data can be processed by GTDS: two way relay range and Doppler measurements, hybrid relay range and Doppler measurements, one way relay Doppler measurements, and differenced one way relay Doppler measurements. These data may be combined with conventional ground based direct tracking data. By using Bayesian weighted least squares techniques, the software allows the simultaneous determination of the trajectories of up to four different satellites - one user satellite and three relay satellites. In addition to satellite trajectories, the following parameters can be optionally solved: for drag coefficient, reflectivity of a satellite for solar radiation pressure, transponder delay, station position, and biases.

Liu, S. Y.↗

NASA NTRS1981

A time lag study of the vertical motion simulator computer system

A study was performed to evaluate an experimental method to determine time lags in real-time computer systems as the one associated with the Vertical Motion Simulator at Ames Research Center. The approach was to use an ordinary frequency analyzer to measure the phase difference between inputs and outputs of the computer system. The various elements of the program and computational architecture were modeled. Various factors, such as computer frame time and input frequency, were varied so that they were representative of the operational use of the simulator facilities. Experimentally determined results were compared with predictions derived from the simulation models. The results indicate that the frequency analyzer can be readily used to evaluate time lags in systems of this type. Differences between predicted and measured phase values indicate that the hardware and software imparts a time lag of about 5 msec to this facility.

Cleveland, W. B.↗