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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 649 records · Page 36

Forte: A suite of advanced multireference quantum chemistry methods

Software development plays a critical role in advancing quantum chemistry, enabling the exploration of new fundamental theoretical ideas and modeling systems of ever-increasing complexity. In the past decade, the availability of quantum chemistry packages that use modular designs and provide application programming interfaces (APIs) has enabled the creation of specialized software plugins, enhancing the capabilities of the original codes. Here, the availability of well-documented APIs is particularly beneficial in the context of academic scientific software development because it reduces the entry barrier for new developers and shields them from the complexities of large software projects.

74 ATOMIC AND MOLECULAR PHYSICS↗

Characterizing structural features of two-dimensional particle systems through Voronoi topology

This paper introduces a new approach toward characterizing local structural features of two-dimensional particle systems. The approach can accurately identify and characterize defects in high-temperature crystals, distinguish a wide range of nominally disordered systems, and robustly describe complex structures such as grain boundaries. This paper also introduces two-dimensional functionality into the open-source software program VoroTop which automates this analysis. This software package is built on a recently-introduced multithreaded version of V ORO ++, enabling the analysis of systems with billions of particles on high-performance computer architectures.

36 MATERIALS SCIENCE↗

SEGUID v2: Extending SEGUID checksums for circular, linear, single- and double-stranded biological sequences

Background Synthetic biology involves combining different DNA fragments, each containing functional biological parts, to address specific problems. Fundamental gene-function research often requires cloning and propagating DNA fragments, such as those from the iGEM Parts Registry or Addgene, typically distributed as circular plasmids. Addgene’s repository alone offers around 150,000 plasmids. To ensure data integrity, cryptographic checksums can be calculated for the sequences. Each sequence has a unique checksum, making checksums useful for validation and quick lookups of associated annotations. For example, the SEGUID checksum uniquely identifies protein sequences with a 27-character string. Objectives The original SEGUID, while effective for protein sequences and single-stranded DNA (ssDNA), is not suitable for circular DNA since there is no natural starting position nor for double-stranded DNA (dsDNA) since two separate sequences are present. Challenges include how to uniquely represent linear dsDNA, circular ssDNA, and circular dsDNA. To meet these needs, we propose SEGUID v2, which extends the original SEGUID to handle additional types of sequences. Conclusions SEGUID v2 produces orientation and rotation invariant checksums for single-stranded, double-stranded, possibly staggered, linear, and circular DNA and RNA sequences. Customizable alphabets allow for other types of sequences. In contrast to the original SEGUID, which uses Base64, SEGUID v2 uses Base64url to encode the SHA-1 hash. This ensures SEGUID v2 checksums can be used as-is in filenames, regardless of platform, and in URLs, with minimal friction. Availability SEGUID v2 is readily available for major programming languages, distributed under the MIT license. JavaScript package seguid is available on npm, Python package seguid on PyPi, R package seguid on CRAN, and a Tcl script on GitHub. These tools, along with documentation, examples, and an online SEGUID Calculator , can be found at https://www.seguid.org .

Pereira, Humberto↗

Update of CEA DES Criticality-Safety Activities and Perspectives [Slides]

Neutronics staff at CEA DES are in charge of a whole set of modeling and simulation tools for neutronics: nuclear data evaluation and processing, transport codes development, calculation sequences edition, verification, validation and uncertainty analysis. Advanced user groups are in charge of specific nuclear analysis in reactor physics, fuel cycle, criticality-safety, radiation shielding and nuclear instrumentation for CEA and its partners, at all stages of nuclear facilities life cycle. CEA is willing to participate/collaborate on the following issues: detector design, experiments, analysis and evaluation, DH validation by combining TAGS measurements with Fission Yield variance-covariance matrices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Distributed Magnetic Field and Temperature Monitoring for Superconducting Radio Frequency Cavities

The overall objective of the proposed Phase I program was to design, construct and demonstrate a fiber optic sensing system capable of providing temperature and magnetic field measurements with an enhanced spatial resolution that can be implemented over a large surface area (cryomodules) to survey superconducting radio frequency cavities and magnets. A magnetic field sensor capable of detecting fluxes on the order of 1 μT is required to detect the distribution of trapped flux on the cavity surface. A unique distributed magnetic field sensor was successfully designed and constructed to demonstrate the detection of magnetic fluxes less than 500 nT. The sensor leveraged the ultra-high sensitivity of Sentek’s picoDAS to measure the magnetostriction induced vibrations in a commercially available Metglas 2605 SC ribbon that was in physical contact with sensing fiber. Static magnetic fields were detected by applying an alternating current a copper wire proximate to the Metglas 2605SC ribbon to create an AC bias magnetic field. In an alternative approach, an AC bias magnetic field was applied to a special magnetic field sensing fiber with Metglas 2605SC cladding successfully detect a magnetic field flux of a 3 μT. Exhaustive testing was performed to characterize the dependency of sensor response on the direction of the applied magnetic field. Although the special sensing fiber based magnetic field sensor did not exhibit an observable dependence on the direction of the magnetic field, the Metglas 2605SC ribbon sensor exhibited a clear directional dependence. A wide variety of polymer materials were evaluated to enhance the temperature response of an FBG based sensor at cryogenic temperatures. The processing and performance challenges provided the motivation to develop a new simple cryogenic temperature sensor that uses a commercially available fiber optic splice protector. The EVA hot melt tube that becomes adhered to the optical fiber and the polyolefin outer tube that shrinks upon heating in the fusion splicer heater provide the high thermal expansion coefficient necessary to impart a significant strain on the FBG when exposed to cryogenic temperatures. The temperature sensitivity (Δ𝜆𝐵𝑟𝑎𝑔𝑔~ 62 𝑝𝑝𝑚/℃) of the FBG-based sensor was on par with the best reported to date. The simple design, use of readily available cost-effective materials, and well-established processing techniques lends this approach to the creation of hundreds to thousands of temperature sensors on one single optical fiber length. The inherently small form factor also allows for co-location with the distributed magnetic field sensor. In preparation for field testing of the prototype sensing system at the Jefferson Labs in potential Phase II program, several different cable designs were evaluated to package the sensors. The preliminary successful demonstration of fully functional sensing cables provides the foundation for subsequent development efforts to advance the Technology Readiness Level of the technology. The technical feasibility of the proposed approach was successfully demonstrated in this Phase I effort.

43 PARTICLE ACCELERATORS↗

Enabling Catalog Simulations of Transient and Variable Sources Based on LSST Cadence Strategies

The American Astronomical Society. All rights reserved.. The Large Synoptic Survey Telescope (LSST) project will conduct a 10 year multi-band survey starting in 2022. Observing strategies for this survey are being actively investigated, and the science capabilities can be best forecasted on the basis of simulated strategies from the LSST Operations Simulator (OpSim). This paper describes the way in which OpSim simulates a stochastic realization of the sequence of LSST pointings over the survey duration, and is based on a model of the observatory (including telescope) and historical data of observational conditions. OpSim outputs contain a record of each simulated pointing of the survey along with a complete characterization of the pointing in terms of observing conditions, and some useful quantities derived from the characteristics of the pointing. Thus, each record can be efficiently used to derive the properties of observations of all astrophysical sources found in that pointing. However, in order to obtain the time series of observations (light curves) of a set of sources, it is often more convenient to compute all observations of an astrophysical source, and iterate over sources. In this document, we describe the open source python package OpSimSummary, which allows for a convenient reordering. The objectives of this package are to provide users with an Application Programming Interface for accessing all such observations and summarizing this information in the form of intermediate data products usable by third party software such as SNANA, thereby also bridging the gap between official LSST products and preexisting simulation codes.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA Earth Resources Survey Symposium. Volume 1-B: Geology, Information Systems and Services

A symposium was conducted on the practical applications of earth resources survey technology including utilization and results of data from programs involving LANDSAT, the Skylab earth resources experiment package, and aircraft. Topics discussed include geological structure, landform surveys, energy and extractive resources, and information systems and services.

Source record↗

Design and evaluation of thin metal surface insulation for hypersonic flight

An all-metal insulation was studied as a thermal protection system for hypersonic vehicles. Key program goals included fabricating the insulation in thin packages which are optimized for high temperature insulation of an actively cooled aluminum structure, and the use of state-of-the-art alloys. The insulation was fabricated from 300 series stainless steel in thicknesses of 0.8 to 12 mm. The outer, 0.127 mm thick, skin was textured to accommodate thermal expansion and oxidized to increase emittance. The thin insulating package was achieved using an insulation concept consisting of foil radiation shields spaced within the package, and conical foil supports to carry loads from the skin and maintain package dimensions. Samples of the metal-insulation were tested to evaluate thermal insulation capability, rain and sand erosion resistance, high temperature oxidation resistance, applied load capability, and high temperature emittance.

Miller, R. C.↗

Radar backscatter modelling

The terrain analysis software package was restructured and documentation was added. A program was written to test Johnson Space Center's four band scatterometer data for spurious signals data. A catalog of terrain roughness statistics and calibrated four frequency multipolarization scatterometer data is being published to support the maintenance of Death Valley as a radar backscatter calibration test site for all future airborne and spacecraft missions. Test pits were dug through sand covered terrains in the Eastern Sahara to define the depth and character of subsurface interfaces responsible for either backscatter or specular response in SIR-A imagery. Blocky sandstone bedrock surfaces at about 1 m depth were responsible for the brightest SIR-A returns. Irregular very dense CaCO3 cemented sand interfaces were responsible for intermediate grey tones. Ancient river valleys had the weakest response. Reexamination of SEASAT l-band imagery of U.S. deserts continues.

Schaber, G. G.↗

MHOST version 4.2. Volume 1: Users' manual

This manual describes the user options available for running the MHOST finite element analysis package. MHOST is a solid and structural analysis program based on mixed finite element technology, and is specifically designed for three-dimensional inelastic analysis. A family of two- and three-dimensional continuum elements along with beam and shell structural elements can be utilized. Many options are available in the constitutive equation library, the solution algorithms and the analysis capabilities. An overview of the algorithms, a general description of the input data formats, and a discussion of input data for selecting solution algorithms are given.

Nakazawa, Shohei↗

General-Purpose Plotting Software

TADPLOT computer program gives researcher general-purpose plotting software package easy to use, quickly creates X-Y plots, and powerful enough to create full-feature publication-quality plots. Enables user to save selected plot information displayed subsequently on several different devices, including "hard-copy" plotters. Postprocessing features that enable user to manipulate and combine plots also available. Written in ANSI STANDARD FORTRAN 77.

Hammond, Dana P.↗

Interactive Spectral Analysis and Computation (ISAAC)

Isaac is a task in the NSO external package for IRAF. A descendant of a FORTRAN program written to analyze data from a Fourier transform spectrometer, the current implementation has been generalized sufficiently to make it useful for general spectral analysis and other one dimensional data analysis tasks. The user interface for Isaac is implemented as an interpreted mini-language containing a powerful, programmable vector calculator. Built-in commands provide much of the functionality needed to produce accurate line lists from input spectra. These built-in functions include automated spectral line finding, least squares fitting of Voigt profiles to spectral lines including equality constraints, various filters including an optimal filter construction tool, continuum fitting, and various I/O functions.

Lytle, D. M.↗

Preliminary Evaluation of Commercial Off the Shelf (COTS) Packing Materials for Flight Medication Dispenser (FMD) Technology Development

This slide presentation reviews preliminary results of the program to evaluate Commercial Off the Shelf (COTS) packaging materials for pharmaceutical stability. The need for improved packaging is due to possible changes in chemical and/or physical properties of the drugs, which cause reported reduced potency and/or altered bioavailability and decreased efficacy.

Du, B.↗

Virtual Machine Language 2.1

VML (Virtual Machine Language) is an advanced computing environment that allows spacecraft to operate using mechanisms ranging from simple, time-oriented sequencing to advanced, multicomponent reactive systems. VML has developed in four evolutionary stages. VML 0 is a core execution capability providing multi-threaded command execution, integer data types, and rudimentary branching. VML 1 added named parameterized procedures, extensive polymorphism, data typing, branching, looping issuance of commands using run-time parameters, and named global variables. VML 2 added for loops, data verification, telemetry reaction, and an open flight adaptation architecture. VML 2.1 contains major advances in control flow capabilities for executable state machines. On the resource requirements front, VML 2.1 features a reduced memory footprint in order to fit more capability into modestly sized flight processors, and endian-neutral data access for compatibility with Intel little-endian processors. Sequence packaging has been improved with object-oriented programming constructs and the use of implicit (rather than explicit) time tags on statements. Sequence event detection has been significantly enhanced with multi-variable waiting, which allows a sequence to detect and react to conditions defined by complex expressions with multiple global variables. This multi-variable waiting serves as the basis for implementing parallel rule checking, which in turn, makes possible executable state machines. The new state machine feature in VML 2.1 allows the creation of sophisticated autonomous reactive systems without the need to develop expensive flight software. Users specify named states and transitions, along with the truth conditions required, before taking transitions. Transitions with the same signal name allow separate state machines to coordinate actions: the conditions distributed across all state machines necessary to arm a particular signal are evaluated, and once found true, that signal is raised. The selected signal then causes all identically named transitions in all present state machines to be taken simultaneously. VML 2.1 has relevance to all potential space missions, both manned and unmanned. It was under consideration for use on Orion.

Riedel, Joseph E.↗

Pluto Express Power System Architecture

The Pluto Express power system must answer the challenge of the next generation spacecraft by reducing its power, mass, and volume envelopes. Technology developed by the New Millennium Program will enable the power system to meet the stringent requirements for the Pluto Express mission without exceeding the spacecraft mass and volume budgets.

electronics↗

NTS-SS-SNL-NMSITE-2017-0004 "Contamination Monitor Left in Service After Inadequate Calibration" Causes Not Fully Addressed (Causal Analysis Report)

On June 5th, 2020 Sandia National Laboratories signed and recommended for closure the evidence package for the Noncompliance Tracking System NTS—SS-SNL-NMSITE-2017-0004, Contamination Monitor Left in Service After Inadequate Calibration. On July 16th, 2020 the Sandia Field Office sent a follow-up question list to the Radiation Protection Instrumentation Program Lead to clarify some points while reviewing the evidence package. The follow-up questions readily identified deficiencies with all three calibrations of the iPCM12 systems. On July 30th, 2020 Radiation Protection hosted a meeting to better understand the exact nature of the concerns, determine if the iPCM12 machines were out of calibration and therefore would have to be taken out of service. One result of this meeting was to determine if SNL could withdraw the evidence package. SNL transmitted a letter on August 26th, 2020 recalling the evidence package and committed to performing a thorough causal analysis and invoke the required issues management processes to ensure that corrective actions are sustained.

54 ENVIRONMENTAL SCIENCES↗

The New Web-Based Hera Data Processing System at the HEASARC

The HEASARC at NASA/GSFC has provide an on-line astronomical data processing system called Hera for several years. Hera provides a complete data processing environment, including installed software packages, local data storage, and the CPU resources needed to process the user's data. The original design of Hera, however, has 2 requirements that has limited it's usefulness for some users, namely, that 1) the user must download and install a small helper program on their own computer before using Hera, and 2) Hera requires that several computer ports/sockets be allowed to communicate through any local firewalls on the users machine. Both of these restrictions can be problematic for some users, therefore we are now migrating Hera into a purely Web based environment which only requires a standard Web browser. The first release of Web Hera is now publicly available at http://heasarc.gsfc.nasa.gov/webheara/. It currently provides a standard graphical interface for running hundreds of different data processing programs that are available in the HEASARC's ftools software package. Over the next year we to add more features to Web Hera, including an interactive command line interface, and more display and line capabilities.

Pence, W.↗

Solar Power Satellite antenna phase control system hardware simulation, phase 4. Volume 3: SOLARSIM users manual

Documentation of the interactive software package designed to predict the effect of certain electrical and mechanical imperfections on the performance of the SPS system is presented. The capabilities of the SOLARSIM program to quantify the spacetenna performance parameter values are described. The SOLARSIM package can compute the RMS pointing error, title effects, MPTX code tracking loop performance, MPTX carrier tracking loop performance, averaged power pattern, and the power transfer efficiency.

Lindsey, W. C.↗