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NASA NTRS2017

Critical Software for Human Spaceflight

The NASA Orion vehicle that will fly to the moon in the next years is propelled along its mission by the European Service Module (ESM), developed by ESA and its prime contractor Airbus Defense and Space. This paper describes the development of the Propulsion Drive Electronics (PDE) Software that provides the interface between the propulsion hardware of the European Service Module with the Orion flight computers, and highlights the challenges that have been faced during the development. Particularly, the specific aspects relevant to Human Spaceflight in an international cooperation are presented, as the compliance to both European and US standards and the software criticality classification to the highest category A. An innovative aspect of the PDE SW is its Time- Triggered Ethernet interface with the Orion Flight Computers, which has never been flown so far on any European spacecraft. Finally the verification aspects are presented, applying the most exigent quality requirements defined in the European Cooperation for Space Standardization (ECSS) standards such as the structural coverage analysis of the object code and the recourse to an independent software verification and validation activity carried on in parallel by a different team.

Preden, Antonio↗

NASA NTRS1989

Cylindrical surface profile and diameter measuring tool and method

A tool is shown having a cross beam assembly (15) made of beams (18, 19, 20, 21) joined by a center box structure (23). The assembly (15) is adapted to be mounted by brackets (16) to the outer end of a cylindrical case (11). The center box structure (23) has a vertical shaft (25) rotatably mounted therein and extending beneath the assembly (15). Secured to the vertical shaft (25) is a radius arm (28) which is adapted to rotate with shaft (25). On the longer end of the radius arm (28) is a measuring tip (30) which contacts the cylindrical surface to be measured and which provides an electric signal representing the radius of the cylindrical surface from the center of rotation of the radius arm (28). An electric servomotor (49) rotates the vertical shaft (25) and an electronic resolver (61) provides an electric signal representing the angle of rotation of the shaft (25). The electric signals are provided to a computer station (73) which has software for its computer to calculate and print out the continuous circumference profile of the cylindrical surface, and give its true diameter and the deviations from the ideal circle.

Currie, James R.↗

DOE OSTI2024

Studies on Printability Methodologies and Directed-Energy-Deposition-Fabricated Iron Alloys for Nuclear Applications

This report provides results from a printability study of laser directed energy deposition (DED)-based additive manufacturing of nuclear-grade stainless steels as well as DED process parameter development for austenitic Alloy 709 (A709) and ferritic/martensitic Grade 91 (G91) and Grade 92 (G92) steels. The printability study includes the use of machine learning and physics-based modeling via commercial software such as FLOW-3D for insights into the impact of the alloy composition, particularly the carbon content, on the printability of stainless steels during the DED process. In the DED process development work, 1 cm 3 alloy blocks were deposited with broad ranges of laser powers, scan speeds, and hatch spacings to optimize the build quality, resulting in densities of more than 99.8% for all three alloys. The microstructure and mechanical properties were characterized using electron microscopy, X-ray diffraction, and Vickers hardness measurements. Further, tensile samples were extracted from DED-fabricated alloys utilizing the optimized process parameters. The present work provides guidance and progress towards the successful deployment of the DED process for the fabrication of structural components of nuclear reactors.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Real‐time XFEL data analysis at SLAC and NERSC: A trial run of nascent exascale experimental data analysis

X‐ray scattering experiments using free electron lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID‐19 viral proteins). XFEL experiments are a challenge to computing in two ways: (i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; (ii) data‐collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min—sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS‐NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Completing data analysis within 10 min is a first for XFEL experiments and an important milestone if we are to keep up with data‐collection trends.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2004

Instrumentation for Studies of Electron Emission and Charging From Insulators

Making measurements of electron emission properties of insulators is difficult since insulators can charge either negatively or positively under charge particle bombardment. In addition, high incident energies or high fluences can result in modification of a material s conductivity, bulk and surface charge profile, structural makeup through bond breaking and defect creation, and emission properties. We discuss here some of the charging difficulties associated with making insulator-yield measurements and review the methods used in previous studies of electron emission from insulators. We present work undertaken by our group to make consistent and accurate measurements of the electron/ion yield properties for numerous thin-film and thick insulator materials using innovative instrumentation and techniques. We also summarize some of the necessary instrumentation developed for this purpose including fast response, low-noise, high-sensitivity ammeters; signal isolation and interface to standard computer data acquisition apparatus using opto-isolation, sample-and-hold, and boxcar integration techniques; computer control, automation and timing using Labview software; a multiple sample carousel; a pulsed, compact, low-energy, charge neutralization electron flood gun; and pulsed visible and UV light neutralization sources. This work is supported through funding from the NASA Space Environments and Effects Program and the NASA Graduate Research Fellowship Program.

Thomson, C. D.↗

DOE OSTI2021

Real-Time XFEL Data Analysis at SLAC and NERSC: a Trial Run of Nascent Exascale Experimental Data Analysis

X-ray scattering experiments using Free Electron Lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID-19 viral proteins). XFEL experiments are a challenge to computing in two ways: i) due to the high cost of running XFELs, a fast turnaround time from data acquisition to data analysis is essential to make informed decisions on experimental protocols; ii) data collection rates are growing exponentially, requiring new scalable algorithms. Here we report our experiences analyzing data from two experiments at the Linac Coherent Light Source (LCLS) during September 2020. Raw data were analyzed on NERSC's Cori XC40 system, using the Superfacility paradigm: our workflow automatically moves raw data between LCLS and NERSC, where it is analyzed using the software package CCTBX. We achieved real time data analysis with a turnaround time from data acquisition to full molecular reconstruction in as little as 10 min -- sufficient time for the experiment's operators to make informed decisions. By hosting the data analysis on Cori, and by automating LCLS-NERSC interoperability, we achieved a data analysis rate which matches the data acquisition rate. Furthermore, completing data analysis with 10 mins is a first for XFEL experiments and an important milestone if we are to keep up with data collection trends.

Blaschke, Johannes P.↗

DOE OSTI2025

Future Circular Collider Feasibility Study Report

Volume 1 of the FCC Feasibility Report presents an overview of the physics case, experimental programme, and detector concepts for the Future Circular Collider (FCC). This volume outlines how FCC would address some of the most profound open questions in particle physics, from precision studies of the Higgs and EW bosons and of the top quark, to the exploration of physics beyond the Standard Model. The report reviews the experimental opportunities offered by the staged implementation of FCC, beginning with an electron-positron collider (FCC-ee), operating at several centre-of-mass energies, followed by a hadron collider (FCC-hh). Benchmark examples are given of the expected physics performance, in terms of precision and sensitivity to new phenomena, of each collider stage. Detector requirements and conceptual designs for FCC-ee experiments are discussed, as are the specific demands that the physics programme imposes on the accelerator in the domains of the calibration of the collision energy, and the interface region between the accelerator and the detector. The report also highlights advances in detector, software and computing technologies, as well as the theoretical tools/reconstruction techniques that will enable the precision measurements and discovery potential of the FCC experimental programme. The content and structure of this report are guided by the scope and priorities defined in the mandate of the FCC Feasibility Study. It is therefore not intended to serve as an exhaustive review of the full physics potential of FCC. Several topics, already covered in earlier reports such as the FCC CDR, are not reiterated here or are addressed only briefly, in alignment with the study’s focus. This volume reflects the outcome of a global collaborative effort involving hundreds of scientists and institutions, aided by a dedicated community-building coordination, and provides a targeted assessment of the scientific opportunities and experimental foundations of the FCC programme.

Benedikt, M. [European Organization for Nuclear Re↗

NASA NTRS1979

Weight Saving Technology

The airplane shown below is the Beech Super King Air, an executive transport built by Beech Aircraft corporation, Wichita, Kansas. Its development was aided by the NASA computer program known as NASTRAN(Registered TradeMark) (NASA Structural Analysis), which electronically analyzes a computerized design and predicts how it will react to many different conditions of stress and strain. In this instance the program was employed in analysis of the airplane's structure and engine mounts. NASTRAN was similarly used in development of other Beech planes, such as the T-34C military trainer and the new single-engine Skipper light-plane, which is making its debut this year. At its Boulder, Colorado facility, Beech has used NASTRAN in analysis of fuel tanks for space vehicles. The company reports it has achieved cost savings and improved its design/analysis capabilities through use of the NASA program. NASTRAN and other government-generated computer programs are made available to industry through NASA's Computer Software Management and Information Center (COSMIC)(Registered TradeMark) at the University of Georgia.

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DOE OSTI2025

Discerning structure sensitivity of Ni-core Pd-shell nanoparticles for enhanced nitrite reduction

Denitrification using Pd-based catalysts converts N-oxyanions into harmless products. However, the metal cost and scarcity are barriers to application. In this work, we synthesize water-suspended, structure-controlled Ni-core/Pd-shell nanoparticles (Ni@Pd NPs) that show Pd-catalyzed nitrite (NO 2 − ) reduction catalysis promoted by Ni. The NPs immobilized on Al 2 O 3 (0.47 wt % Pd and 0.74 wt % Ni) have higher NH 4 + selectivity and higher catalytic activity than wet-impregnated Pd/Al 2 O 3 (1.0 wt % Pd), i.e., 315.4 vs. 132.1 Lg surface Pd −1 min −1 . X-ray photoelectron spectroscopy (XPS) and CO-diffuse reflectance infrared Fourier transform spectroscopy (CO-DRIFTS) analyses show that Ni increases Pd electron density, which is proposed to lower the bond dissociation energy barrier for nitric oxide surface intermediate. Low-coordinated Pd atoms correlate to high activity and low NH 4 + selectivity. Using CatCost software, we estimate Ni@Pd/Al 2 O 3 to have a ∼40% lower manufacturing cost compared to wet-impregnated Pd/Al 2 O 3 . This rationally designed catalyst illustrates how nickel promotes Pd catalysis and how Pd usage can be lowered for denitrification and other hydrogenation reactions.

CO-DRIFTS↗

NASA NTRS1991

A knowledge-based system design/information tool for aircraft flight control systems

Research aircraft have become increasingly dependent on advanced electronic control systems to accomplish program goals. These aircraft are integrating multiple disciplines to improve performance and satisfy research objective. This integration is being accomplished through electronic control systems. Systems design methods and information management have become essential to program success. The primary objective of the system design/information tool for aircraft flight control is to help transfer flight control system design knowledge to the flight test community. By providing all of the design information and covering multiple disciplines in a structured, graphical manner, flight control systems can more easily be understood by the test engineers. This will provide the engineers with the information needed to thoroughly ground test the system and thereby reduce the likelihood of serious design errors surfacing in flight. The secondary object is to apply structured design techniques to all of the design domains. By using the techniques in the top level system design down through the detailed hardware and software designs, it is hoped that fewer design anomalies will result. The flight test experiences are reviewed of three highly complex, integrated aircraft programs: the X-29 forward swept wing; the advanced fighter technology integration (AFTI) F-16; and the highly maneuverable aircraft technology (HiMAT) program. Significant operating technologies, and the design errors which cause them, is examined to help identify what functions a system design/informatin tool should provide to assist designers in avoiding errors.

Mackall, Dale A.↗

NASA NTRS2009

NASA Tech Briefs, May 2009

Topics covered include: Valve-"Health"-Monitoring System; Microstrip Antenna for Remote Sensing of Soil Moisture and Sea Surface Salinity; Biomedical Wireless Ambulatory Crew Monitor; Wireless Avionics Packet to Support Fault Tolerance for Flight Applications; Aerobot Autonomy Architecture; Submillimeter Confocal Imaging Active Module; Traveling-Wave Maser for 32 GHz; System Synchronizes Recordings from Separated Video Cameras; Piecewise-Planar Parabolic Reflectarray Antenna; Reducing Interference in ATC Voice Communication; EOS MLS Level 1B Data Processing, Version 2.2; Auto-Generated Semantic Processing Services; Geospatial Authentication; Maneuver Automation Software; Event Driven Messaging with Role-Based Subscriptions; Estimating Relative Positions of Outer-Space Structures; Fabricating PFPE Membranes for Capillary Electrophoresis; Linear Actuator Has Long Stroke and High Resolution; Installing a Test Tap on a Metal Battery Case; Fabricating PFPE Membranes for Microfluidic Valves and Pumps; Room-Temperature-Cured Copolymers for Lithium Battery Gel Electrolytes; Catalysts for Efficient Production of Carbon Nanotubes; Amorphous Silk Fibroin Membranes for Separation of CO2; "Zero-Mass" Noninvasive Pressure Transducers; Radial-Electric-Field Piezoelectric Diaphragm Pumps; Ejector-Enhanced, Pulsed, Pressure-Gain Combustor; Suppressing Ghost Diffraction in E-Beam-Written Gratings; Target-Tracking Camera for a Metrology System; Polarimetric Imaging using Two Photoelastic Modulators; Miniature Wide-Angle Lens for Small-Pixel Electronic Camera; Modal Filters for Infrared Interferometry; Mo(3)Sb(7-x)Te(x) for Thermoelectric Power Generation; Two-Dimensional Quantum Model of a Nanotransistor; Scanning Miniature Microscopes without Lenses; Manipulating Neutral Atoms in Chip-Based Magnetic Traps; Expansion Compression Contacts for Thermoelectric Legs; Processing Electromyographic Signals to Recognize Words; Physical Principle for Generation of Randomness; DSN Beowulf Cluster-Based VLBI Correlator; Hybrid NN/SVM Computational System for Optimizing Designs; Criteria for Modeling in LES of Multicomponent Fuel Flow; Computerized Machine for Cutting Space Shuttle Thermal Tiles; Orbiting Depot and Reusable Lander for Lunar Transportation; FPGA-Based Networked Phasemeter for a Heterodyne Interferometer; Aquarius Digital Processing Unit; Three-Dimensional Optical Coherence Tomography; Benchtop Antigen Detection Technique using Nanofiltration and Fluorescent Dyes; Isolation of Precursor Cells from Waste Solid Fat Tissue; Identification of Bacteria and Determination of Biological Indicators; Further Development of Scaffolds for Regeneration of Nerves; Chemically Assisted Photocatalytic Oxidation System; Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications; Crashworthy Seats Would Afford Superior Protection; Open-Access, Low-Magnetic-Field MRI System for Lung Research; Microfluidic Mixing Technology for a Universal Health Sensor; Microfluidic Extraction of Biomarkers using Water as Solvent; Microwell Arrays for Studying Many Individual Cells; Droplet-Based Production of Liposomes; and Identifying and Inactivating Bacterial Spores

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NASA NTRS2006

Reducing Stray Light To Characterize Nirspec Subsystems: The Focal Plane Array And Micro-Shutter Array

The James Webb Space Telescope (JWST) is an infrared, space-based telescope scheduled for launch in 2013. JWST includes four scientific instruments, including the Near Infrared Spectrometer (NIRSpec), which operates in the wavelength range from 0.6 to 5 microns. NASA/Goddard Space Flight Center (GSFC) is responsible for two NIRSpec subsystems: the detector subsystem, with its focal plane array (FPA), and the micro-shutter subsystem, with its micro-shutter array (MSA). The FPA is comprised of two side-by-side Rockwell Scientific HgCdTe 2kx2k detectors, with detectors and readout electronics optimized for low noise. The MSA is a GSFC developed micro-electro-mechanical system (MEMS) that serves as a programmable slit mask, allowing NIRSpec to obtain simultaneous spectra of >100 objects in a single field of view. We present the optical characterization test plan of the FPA. The test plan is driven by many requirements: cryogenic operating temperature, a flight-like beam shape, and multi-wavelength photon flux from 1 to 60,000 per second, thus low stray light is critical. We use commercial optical modeling software to predict stray light effects at the FPA. We also present the optical contrast test plan of the MSA. Since each individual shutter element operates in on/off fashion, the most important optical metric is contrast. The MSA structure is designed to minimize stray and scattered light, and the test setup reduces stray light such that the optical contrast requirement is met.

Connelly, Joseph A.↗

NASA NTRS2005

Imaging Dot Patterns for Measuring Gossamer Space Structures

A paper describes a photogrammetric method for measuring the changing shape of a gossamer (membrane) structure deployed in outer space. Such a structure is typified by a solar sail comprising a transparent polymeric membrane aluminized on its Sun-facing side and coated black on the opposite side. Unlike some prior photogrammetric methods, this method does not require an artificial light source or the attachment of retroreflectors to the gossamer structure. In a basic version of the method, the membrane contains a fluorescent dye, and the front and back coats are removed in matching patterns of dots. The dye in the dots absorbs some sunlight and fluoresces at a longer wavelength in all directions, thereby enabling acquisition of high-contrast images from almost any viewing angle. The fluorescent dots are observed by one or more electronic camera(s) on the Sun side, the shade side, or both sides. Filters that pass the fluorescent light and suppress most of the solar spectrum are placed in front of the camera(s) to increase the contrast of the dots against the background. The dot image(s) in the camera(s) are digitized, then processed by use of commercially available photogrammetric software.

Dorrington, A. A.↗

DOE OSTI2023

Deployment of ADTimePix3 areaDetector Driver at Neutron and X-ray User Facilities

TimePix3 is a 65k hybrid pixel readout chip with simultaneous Time-of-Arrival (ToA) and Time-over-Threshold (ToT) recording in each pixel*. The chip operates without a trigger signal with a sparse readout where only pixels containing events are read out. The flexible architecture allows 40 MHits/s/cm² readout throughput, using simultaneous readout and acquisition by sharing readout logic with transport logic of superpixel matrix formed using 2x4 structure. The chip ToA records 1.5625 ns time resolution. The X-ray and charged particle events are counted directly. However, indirect neutron counts use 6Li fission in a scintillator matrix, such as ZnS(Ag). The fission space-charge region is limited to 5-9 um. A photon from scintillator material excites a photocathode electron, which is further multiplied in dual-stack MCP. The neutron count event is a cluster of electron events at the chip. We report on the EPICS areaDetector** ADTimePix3 driver that controls Serval*** using json commands. The driver directs data to storage and to a real-time processing pipeline and configures the chip. The time-stamped data are stored in raw .tpx3 file format and passed through a socket where the clustering software identifies individual neutron events. The conventional 2D images are available as images for each exposure frame, and a preview is useful for sample alignment. The areaDetector driver allows integration of time-enhanced capabilities of this detector into SNS beamlines controls and unprecedented time resolution.

Gofron, Kaz↗

NASA NTRS2012

Towards an Imaging Mid-Infrared Heterodyne Spectrometer

We are developing a concept for a compact, low-mass, low-power, mid-infrared (MIR; 5- 12 microns) imaging heterodyne spectrometer that incorporates fiber optic coupling, Quantum Cascade Laser (QCL) local oscillator, photomixer array, and Radio Frequency Software Defined Readout (RFSDR) for spectral analysis. Planetary Decadal Surveys have highlighted the need for miniaturized, robust, low-mass, and minimal power remote sensing technologies for flight missions. The drive for miniaturization of remote sensing spectroscopy and radiometry techniques has been a continuing process. The advent of MIR fibers, and MEMS techniques for producing waveguides has proven to be an important recent advancement for miniaturization of infrared spectrometers. In conjunction with well-established photonics techniques, the miniaturization of spectrometers is transitioning from classic free space optical systems to waveguide/fiber-based structures for light transport and producing interference effects. By their very nature, these new devices are compact and lightweight. Mercury-Cadmium-Telluride (MCT) and Quantum Well Infrared Photodiodes (QWIP) arrays for heterodyne applications are also being developed. Bulky electronics is another barrier that precluded the extension of heterodyne systems into imaging applications, and our RFSDR will address this aspect.

Hewagama, T.↗

DOE OSTI2020

Theoretical and Phenomenological Studies of the Nucleon Structure in High Energy Reactions

The understanding of the internal structure of the proton and other strongly interacting particles is at the forefront of modern nuclear physics research. Generalized Parton Distribution Functions (GPDs) are a powerful tool to advance the understanding of hadron structure. In addition to the information about the one- dimensional collinear momentum distributions of partons (quarks, anti-quarks, and gluons) known from studies of high energy deep-inelastic reactions, GPDs also carry information on the distribution of partons in the transverse plane, and allow us in this way to access the three-dimensional structure of the nucleon. GPDs can be studied in hard-exclusive reactions and contain also information on the energy-momentum tensor form factors which will allow us to gain insights on quantities like pressure or angular momentum distribution inside the nucleon. The goal of this thesis is to deepen our understanding of the three-dimensional structure of the nucleon. We investigate energy-momentum tensor form factors and densities, and all leading-twist GPDs in the bag model. This quark model provides a consistent theoretical framework to investigate many general concepts that have recently attracted interest, and allows one to study insightful limits like the large-Nc limit, heavy-quark limit or the non-relativistic limit. Another important aspect of this thesis is the discussion of the monopole and quadrupole contributions to the angular momentum density. Finally, the description of pseudoscalar meson production in exclusive processes in terms of GPDs is discussed in the Goloskokov-Kroll model and implemented in the PARTONS framework, a software development project which will provide direct support for experiments at the Jefferson National Lab and the future Electron-Ion Collider.

Tezgin, Kemal↗

DOE OSTI2024

QRCODE: Massively parallelized real-time time-dependent density functional theory for periodic systems

We present a new software module, QRCODE (Quantum Research for Calculating Optically Driven Excitations), for massively parallelized real-time time-dependent density functional theory (RT-TDDFT) calculations of periodic systems in the open-source Qbox software package. Our approach utilizes a custom implementation of a fast Fourier transformation scheme that significantly reduces inter-node message passing interface (MPI) communication of the major computational kernel and shows impressive scaling up to 16,344 CPU cores. In addition to improving computational performance, QRCODE contains a suite of various time propagators for accurate RT-TDDFT calculations. As benchmark applications of QRCODE, we calculate the current density and optical absorption spectra of hexagonal boron nitride (h-BN) and photo-driven reaction dynamics of the ozone-oxygen reaction. We also calculate the second and higher harmonic generation of monolayer and multi-layer boron nitride structures as examples of large material systems. Our optimized implementation of RT-TDDFT in QRCODE enables large-scale calculations of real-time electron dynamics of chemical and material systems with enhanced computational performance and impressive scaling across several thousand CPU cores.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Electron–phonon physics from first principles using the EPW code

EPW is an open-source software for ab initio calculations of electron–phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally localized Wannier functions to efficiently compute electron–phonon coupling matrix elements, and to perform predictive calculations of temperature-dependent properties and phonon-assisted quantum processes in bulk solids and low-dimensional materials. Here, we report on significant developments in the code since 2016, namely: a transport module for the calculation of charge carrier mobility under electric and magnetic fields using the Boltzmann transport equation; a superconductivity module for calculations of phonon-mediated superconductors using the anisotropic multi-band Eliashberg theory; an optics module for calculations of phonon-assisted indirect transitions; a module for the calculation of small and large polarons without supercells; and a module for calculating band structure renormalization and temperature-dependent optical spectra using the special displacement method. For each capability, we outline the methodology and implementation and provide example calculations.

36 MATERIALS SCIENCE↗