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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Window convolution of the galaxy clustering bispectrum

In galaxy survey analysis, the observed clustering statistics do not directly match theoretical predictions but rather have been processed by a window function that arises from the survey geometry including the sky footprint, redshift-dependent background number density and systematic weights. While window convolution of the power spectrum is well studied, for the bispectrum with a larger number of degrees of freedom, it poses a significant numerical and computational challenge. In this work, we consider the effect of the survey window in the tripolar spherical harmonic decomposition of the bispectrum and lay down a formal procedure for their convolution via a series expansion of configuration-space three-point correlation functions, which was first proposed by Sugiyama et al. (2019). We then provide a linear algebra formulation of the full window convolution, where an unwindowed bispectrum model vector can be directly premultiplied by a window matrix specific to each survey geometry. To validate the pipeline, we focus on the Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1) luminous red galaxy (LRG) sample in the South Galactic Cap (SGC) in the redshift bin 0.4 ≤ z ≤ 0.6. We first perform convergence checks on the measurement of the window function from discrete random catalogues, and then investigate the convergence of the window convolution series expansion truncated at a finite of number of terms as well as the performance of the window matrix. This work highlights the differences in window convolution between the power spectrum and bispectrum, and provides a streamlined pipeline for the latter for current surveys such as DESI and the Euclid mission.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1983

Space radiation interaction mechanisms in materials

Models of charged-particle impact under conditions typical of the space environment are reported, with a focus on impact excitation and nuclear reactions, especially for heavy ions. Impact excitation is studied by using a global model for electronic excitation based on formal relations through the classical dielectric function to derive an approximation related to the local plasma (electron density distribution) within the atoms and molecules; and corrections to the model resulting from the nonfluid nature of this plasma are discussed. Nuclear reactions are studied by reducing quantum-mechanical treatment of this general N-body problem to an equivalent two-body problem that is solvable, and by comparing the results with experimental data. The equations for heavy-charged-particle transport are derived and solution techniques demonstrated. Finally, these methods of analysis are applied to study the change in the electrical properties of a GaAs semiconductor for photovoltaic applications; proton damage to GaAs crystals is found to arise from stable replacement defects and to be nonannealable, in contrast to electron-induced damage.

Wilson, J. W.↗
NASA NTRS1994

The navigation toolkit

This report summarizes the experience of the authors in managing, designing, and implementing an object-oriented applications framework for orbital navigation analysis for the Flight Design and Dynamics Department of the Rockwell Space Operations Company in Houston, in support of the Mission Operations Directorate of NASA's Johnson Space Center. The 8 person year project spanned 1.5 years and produced 30,000 lines of C++ code, replacing 150,000 lines of Fortran/C. We believe that our experience is important because it represents a 'second project' experience and generated real production-quality code - it was not a pilot. The project successfully demonstrated the use of 'continuous development' or rapid prototyping techniques. Use of formal methods and executable models contributed to the quality of the code. Keys to the success of the project were a strong architectural vision and highly skilled workers. This report focuses on process and methodology, and not on a detailed design description of the product. But the true importance of the object-oriented paradigm is its liberation of the developer to focus on the problem rather than the means used to solve the problem.

Rich, William F.↗
NASA NTRS2022

Directed Acyclic Graphs: A Tool for Understanding the NASA Human Spaceflight System Risks - Human System Risk Board

For over a decade, the National Aeronautics and Space Administration (NASA) has tracked and configuration-managed approximately 30 risks to astronaut health and performance that occur before, during and after spaceflight. The Human System Risk Board (HSRB), a Health and Medical Technical Authority (HMTA) Board at NASA Johnson Space Center, is the entity responsible for identifying, assessing, analyzing, and monitoring the official understanding of the risk or risk posture for each of the Human System Risks and determining – based on evaluation of the available evidence – when that risk posture changes. The ultimate purpose of tracking and researching these risks is to find ways to reduce the risk that astronaut crews face during spaceflight. Historically, research, development and operations relevant to one risk have been conducted in isolation from other risks; these individual risk ‘silos’ enabled initial characterization of each specific risk. In spaceflight however, the impact of exposure to risk for astronaut crews is cumulative, and not independent of exposures or other risks, as all the adverse effects of the spaceflight environment begin at launch, continue throughout the duration of the mission and in some cases across the lifetime of the crews. In January of 2020, the HSRB at NASA embarked on a pilot project designed to assess the potential value of causal diagramming as a tool to facilitate understanding of these cumulative and interdependent effects as applied within Human System Risk management. This process uses directed acyclic graphs as a means of formalizing a shared mental model of the causal flow of risk among Risk Board stakeholders. Initially this model was to improve communication among those stakeholders, but the potential value exceeds communication alone. The causal diagrams are formulated as directed acyclic graphs (DAGs) to function as a type of knowledge graph for reference for the board and its stakeholders. This document is a sister document to NASA/TM 20220006812 Directed Acyclic Graph Guidance Documentation (1). In that document, the basic guidance for creating and standardizing directed acyclic graphs as tools for cross-risk analysis is provided. This document contains the initial configuration managed DAGs that were created as a result of applying those principles. These initial versions were accepted by the HSRB in January of 2022. Each of the Human System Risks are represented by a DAG that has been reviewed by the larger Human Health and Performance community at NASA including life scientists, physical scientists, physicians, nurses, pharmacists, exercise specialists and more. These results show the starting point for Human System Risk DAGs as shared mental models and communication aids across the boundaries of the various expertise needed to understand and mitigate the human risks in spaceflight. Because they are a starting point, each of these DAGs can be expected to change over time as new or refined evidence becomes available. The process for updating these DAGs can be found in the JSC-66705 Human System Risk Management Plan (2) that is publicly available on the NASA Technical Reports Server.

Erik L. Antonsen↗
DOE OSTI2020

Logic-based analysis of gene expression data predicts association between TNF, TGFB1 and EGF pathways in basal-like breast cancer

For breast cancer, clinically important subtypes are well characterized at the molecular level in terms of gene expression profiles. In addition, signaling pathways in breast cancer have been extensively studied as therapeutic targets due to their roles in tumor growth and metastasis. However, it is challenging to put signaling pathways and gene expression profiles together to characterize biological mechanisms of breast cancer subtypes since many signaling events result from post-translational modifications, rather than gene expression differences. We designed a logic-based computational framework to explain the differences in gene expression profiles among breast cancer subtypes using Pathway Logic and transcriptional network information. Pathway Logic is a rewriting-logic-based formal system for modeling biological pathways including post-translational modifications. Our method demonstrated its utility by constructing subtype-specific path from key receptors (TNFR, TGFBR1 and EGFR) to key transcription factor (TF) regulators (RELA, ATF2, SMAD3 and ELK1) and identifying potential association between pathways via TFs in basal-specific paths, which could provide a novel insight on aggressive breast cancer subtypes. Lastly, codes and results are available at http://epigenomics.snu.ac.kr/PL/.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Effective Hamiltonians derived from equation-of-motion coupled-cluster wave functions: Theory and application to the Hubbard and Heisenberg Hamiltonians

Effective Hamiltonians, which are commonly used for fitting experimental observables, provide a coarse-grained representation of exact many-electron states obtained in quantum chemistry calculations; however, the mapping between the two is not trivial. In this contribution, we apply Bloch’s formalism to equation-of-motion coupled-cluster (EOM-CC) wave functions to rigorously derive effective Hamiltonians in the Bloch’s and des Cloizeaux’ forms. We report the key equations and illustrate the theory by application to systems with two or three unpaired electrons, which give rise to electronic states of covalent and ionic characters. We show that the Hubbard and Heisenberg Hamiltonians can be extracted directly from the so-obtained effective Hamiltonians. By establishing a quantitative connection between many-body states and simple models, the approach facilitates the analysis of the correlated wave functions. We propose a simple diagnostic for assessing the validity of the model space choice based on the overlaps between the target- and model-space states. Finally, artifacts affecting the quality of electronic structure calculations such as spin contamination are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

2019 Vehicle Technologies Office Annual Merit Review Report

The 2019 U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy’s (EERE) Vehicle Technologies Office (VTO) Annual Merit Review (AMR) was held June 10-13, 2019, in Arlington, Virginia. The review encompassed work done by VTO: 287 individual activities were reviewed by 272 reviewers. Exactly 1,162 individual review responses were received for the VTO technical reviews. The objective of the meeting was to review the accomplishments and plans for VTO over the previous 12 months, and provide an opportunity for industry, government, and academia to give inputs to DOE on the Office with a structured and formal methodology. The meeting also provided attendees with a forum for interaction and technology information transfer.

03 NATURAL GAS↗
DOE OSTI2025

Status of SPCA-ANL Software Development, Software Quality Assurance, and Application (FY2025)

SPCA-ANL is a simulation tool used to perform deterministic analyses of sodium spray and pool fires. Development of the SPCA-II (Spray Pool Combustion Analysis) code began in the mid- 1980s as part of the Clinch River Breeder Reactor (CRBR) Project. At that time, development of SPCA-II, which was led by Rockwell International, was focused on treatment of large-scale sodium spray, stream, and pool fires that were anticipated to be prototypic of the steam generator building cells in CRBR. Under more recent DOE NE programmatic activities, the SPCA-II code was recovered from existing literature and underwent minor modifications to generate a stable executable. This recovered version of the code was not formally released. As part of the Versatile Test Reactor (VTR) Project in the 2010s, the SPCA-II code underwent key modifications to improve stability, address modeling deficiencies, improve consistency between the code manual and software, and address numerous bugs. At this point, SPCA-II was renamed SPCA-ANL. Given that SPCA-II served as the original basis for SPCA-ANL, both codes share an integrated history. Following termination of the VTR Project, the DOE NE Fast Reactor Program resumed support of the software with the goal of building and maintaining software infrastructure that can enable commercial-grade dedication of SPCA-ANL by an end user. Version 1.0, the first external release of SPCA-ANL, was generated in June 2024. This report summarizes the development and maintenance activities completed for SPCAANL in FY2025. This year’s work was focused on improving quality and usability of the code. The provisional Software Quality Assurance (SQA) program has been established and was used to test the procedures for infrastructure improvements, code development, bug fixes, and code releases, as described in the following sections of this report. A code Version 1.0.1 was released in FY25, as described in Chapter 4.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Optimization for efficient structure-control systems

The efficiency of a structure-control system is a nondimensional parameter which indicates the fraction of the total control power expended usefully in controlling a finite-dimensional system. The balance of control power is wasted on the truncated dynamics serving no useful purpose towards the control objectives. Recently, it has been demonstrated that the concept of efficiency can be used to address a number of control issues encountered in the control of dynamic systems such as the spillover effects, selection of a good input configuration and obtaining reduced order control models. Reference (1) introduced the concept and presented analyses of several Linear Quadratic Regulator designs on the basis of their efficiencies. Encouraged by the results of Ref. (1), Ref. (2) introduces an efficiency modal analysis of a structure-control system which gives an internal characterization of the controller design and establishes the link between the control design and the initial disturbances to affect efficient structure-control system designs. The efficiency modal analysis leads to identification of principal controller directions (or controller modes) distinct from the structural natural modes. Thus ultimately, many issues of the structure-control system revolve around the idea of insuring compatibility of the structural modes and the controller modes with each other, the better the match the higher the efficiency. A key feature in controlling a reduced order model of a high dimensional (or infinity-dimensional distributed parameter system) structural dynamic system must be to achieve high efficiency of the control system while satisfying the control objectives and/or constraints. Formally, this can be achieved by designing the control system and structural parameters simultaneously within an optimization framework. The subject of this paper is to present such a design procedure.

Oz, Hayrani↗
NASA NTRS2016

Simulation of Mission Phases

This position with the Simulation and Graphics Branch (ER7) at Johnson Space Center (JSC) provided an introduction to vehicle hardware, mission planning, and simulation design. ER7 supports engineering analysis and flight crew training by providing high-fidelity, real-time graphical simulations in the Systems Engineering Simulator (SES) lab. The primary project assigned by NASA mentor and SES lab manager, Meghan Daley, was to develop a graphical simulation of the rendezvous, proximity operations, and docking (RPOD) phases of flight. The simulation is to include a generic crew/cargo transportation vehicle and a target object in low-Earth orbit (LEO). Various capsule, winged, and lifting body vehicles as well as historical RPOD methods were evaluated during the project analysis phase. JSC core mission to support the International Space Station (ISS), Commercial Crew Program (CCP), and Human Space Flight (HSF) influenced the project specifications. The simulation is characterized as a 30 meter +V Bar and/or -R Bar approach to the target object's docking station. The ISS was selected as the target object and the international Low Impact Docking System (iLIDS) was selected as the docking mechanism. The location of the target object's docking station corresponds with the RPOD methods identified. The simulation design focuses on Guidance, Navigation, and Control (GNC) system architecture models with station keeping and telemetry data processing capabilities. The optical and inertial sensors, reaction control system thrusters, and the docking mechanism selected were based on CCP vehicle manufacturer's current and proposed technologies. A significant amount of independent study and tutorial completion was required for this project. Multiple primary source materials were accessed using the NASA Technical Report Server (NTRS) and reference textbooks were borrowed from the JSC Main Library and International Space Station Library. The Trick Simulation Environment and User Training Materials version 2013.0 release was used to complete the Trick tutorial. Multiple network privilege and repository permission requests were required in order to access previous simulation models. The project was also an introduction to computer programming and the Linux operating system. Basic C++ and Python syntax was used during the completion of the Trick tutorial. Trick's engineering analysis and Monte Carlo simulation capabilities were observed and basic space mission planning procedures were applied in the conceptual design phase. Multiple professional development opportunities were completed in addition to project duties during this internship through the System for Administration, Training, and Education Resources for NASA (SATERN). Topics include: JSC Risk Management Workshop, CCP Risk Management, Basic Radiation Safety Training, X-Ray Radiation Safety, Basic Laser Safety, JSC Export Control, ISS RISE Ambassador, Basic SharePoint 2013, Space Nutrition and Biochemistry, and JSC Personal Protective Equipment. Additionally, this internship afforded the opportunity for formal project presentation and public speaking practice. This was my first experience at a NASA center. After completing this internship I have a much clearer understanding of certain aspects of the agency's processes and procedures, as well as a deeper appreciation from spaceflight simulation design and testing. I will continue to improve my technical skills so that I may have another opportunity to return to NASA and Johnson Space Center.

Carlstrom, Nicholas Mercury↗
DOE OSTI2026

Synthesis, Structure, and Properties of the Complex Zintl Phase Eu 9 Zn 4.5 As 9 : A Candidate Topological Insulator and Thermoelectric Material

Reported are the synthesis and detailed analysis of the crystal and electronic structure of the novel Zintl phase Eu 9 Zn 4.5 As 9 . This material was identified in the densely populated Eu–Zn–As compositional space. For structure determination and for property measurements, suitable single crystals of this compound were grown from either Sn- or Pb-flux. Single-crystal X-ray diffraction methods indicate that Eu 9 Zn 4.5 As 9 crystallizes in the orthorhombic crystal system with the space group Pnma (a = 12.1953(7) Å, b = 4.3730(2) Å, c = 42.674(2) Å) and is formally isostructural to Ca 9 Mn 4+x Sb 9 , the less common “9–4–9” type. The structure is heavily disordered, with multiple partially occupied sites, yet, according to the Zintl-Klemm formalism, a charge-balanced composition (Eu 2+ ) 9 (Zn 2+ ) 4.5 (As 3− ) 9 is attained. Electronic structure calculations for a model, disorder-free structure indicate no energy gap between the valence and the conduction bands and suggest (semi)metallic behavior. Preliminary susceptibility measurements confirm the expected divalent nature of Eu 2+ ([Xe] 4 f 7 ground state).

Zintl phases↗
DOE OSTI2023

Conduct of Operations and Nuclear Criticality Safety Standards

Since the beginning of the nuclear age in 1943, there have been 22 criticality accidents in process facilities worldwide in which fissionable materials were processed by hand for various purposes. Of these 22 process criticality accidents, 16 involved faulty or flawed conduct of operations. Most of these process accidents (17 of 22) occurred before 1970, mostly due to the implementation of formal conduct of operations—such as the use of operating procedures and training—and the use of consensus standards for nuclear criticality safety (NCS). Obviously, the nuclear facilities applied lessons learned from their accident history, and the rate of criticality accidents was significantly reduced as a result. Over the years, it has been emphasized in NCS training courses and other venues in the United States that the consensus standards, such as ASA N6.1-1964, were the key contributors to this reduction in accidents. The formality of operations required to implement and apply the standards at a facility is also a crucial prerequisite that must be sufficiently robust to ensure NCS. This prerequisite is crucial to success fully implement the NCS consensus and other safety standards at a site.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Nuclear short-range correlations and the zero-energy eigenstates of the Schrödinger equation

Here, we present a systematic analysis of the nuclear two- and three-body short-range correlations and their relations to the zero-energy eigenstates of the Schrödinger equation. To this end we analyze the doublet and triplet coupled-cluster amplitudes in the high momentum limit, and show that they obey universal equations independent of the number of nucleons and their state. Furthermore, we find that these coupled-cluster amplitudes coincide with the zero-energy Bloch-Horowitz operator. These results illuminate the relations between the nuclear many-body theory and the generalized contact formalism, introduced to describe the nuclear two-body short range correlations, and they might also be helpful for general coupled-cluster computations as the asymptotic part of the amplitudes is given and shown to be universal.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Business Models for Coal Plant Decommissioning

Aging coal-fired power plants are retiring across the United States. Researchers at Pacific Northwest National Laboratory studied coal-fired power plant decommissioning business models to support program development for the Department of Energy’s Office of Energy Efficiency & Renewable Energy (EERE) to engage with communities affected by power plant retirement processes. Evaluating and reducing the impact on coal-dependent communities from phasing out coal production is a crucial piece of nationwide economic development and community-directed engagement in the clean energy future. This report describes the steps in the typical coal-fired power plant decommissioning process, including analysis of the following key factors: Drivers including policy and regulations, competition with other fuels, and corporate responsibility goals; Types of coal plant decommissioning including plant retirement without full decommissioning, repurposing with fuel switch, redeveloping to utilize existing transmission, and decommissioning and repurposing with other commercial activities; and, Costs of coal plant decommissioning, including variations across regulated and deregulated markets and the funding resources to support decommissioning activities. The details described in this report relied heavily on the availability of local news reports and communications regarding plant retirements, as the researchers identified a lack of formal literature surrounding business models for coal plant decommissioning and a need for a more robust source material collection. In addition, a lack of oversight entities responsible for decommissioning processes may have led to this shortfall of information. Future research regarding coal plant decommissioning can include quantitative studies on power plant retirement drivers, procedures, and costs, qualitative assessments on affects decommissioning has on surrounding communities, investors, and other stakeholders, and identifying best practices to engage community stakeholders in the decommissioning process.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

3013 Surveillance Program Interim Summary Report (FY16-FY21)

The K-Area Documented Safety Analysis (DSA) requires the facility participate in the SRS Site Surveillance Program as a part of Shipping Package Qualification and Storage Surveillance Program. The Site Surveillance Program outlines activities for field surveillance and laboratory tests that demonstrate the 3013 containers meet the functional performance requirements described in the DSA. The SRS Surveillance Program also supports the complex-wide Integrated Surveillance Program (ISP) for 3013 containers in accordance with DOESTD-3013. The purpose of this report is to provide a summary of the SRS portion of the surveillance program activities from FY16 through FY21 and formally communicate the interpretation of these results by the Surveillance Program Authority (SPA).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2003

A Study of Technical Engineering Peer Reviews at NASA

This report describes the state of practices of design reviews at NASA and research into what can be done to improve peer review practices. There are many types of reviews at NASA: required and not, formalized and informal, programmatic and technical. Standing project formal reviews such as the Preliminary Design Review and Critical Design Review are a required part of every project and mission development. However, the technical, engineering peer reviews that support teams' work on such projects are informal, some times ad hoc, and inconsistent across the organization. The goal of this work is to identify best practices and lessons learned from NASA's experience, supported by academic research and methodologies to ultimately improve the process. This research has determined that the organization, composition, scope, and approach of the reviews impact their success. Failure Modes and Effects Analysis (FMEA) can identify key areas of concern before or in the reviews. Product definition tools like the Project Priority Matrix, engineering-focused Customer Value Chain Analysis (CVCA), and project or system-based Quality Function Deployment (QFD) help prioritize resources in reviews. The use of information technology and structured design methodologies can strengthen the engineering peer review process to help NASA work towards error-proofing the design process.

Chao, Lawrence P.↗
DOE OSTI2024

Exchange–correlation entropy from the generalized thermal adiabatic connection

Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum mechanical electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the development of temperature-dependent approximations to the exchange–correlation free energy. Approaches using the adiabatic connection formula are well known at zero temperature and have been recently leveraged at non-zero temperatures as well. In this work, a generalized thermal adiabatic connection (GTAC) formula is proposed, introducing a fictitious temperature parameter. This allows extraction of the exchange–correlation entropy S XC using simulated interaction strength scaling. Here, this procedure uses a Hellmann–Feynman approach to express the exchange–correlation entropy in terms of a temperature- and interaction strength-dependent exchange–correlation potential energy. In addition, analysis of S XC as a function of interaction strength suggests new forms for approximations, and GTAC itself offers a new framework for exploring both the exact and approximate interplay of temperature, density, and interaction strength across a wide range of conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

An evaluation of the directed flow graph methodology

The applicability of the Directed Graph Methodology (DGM) to the design and analysis of special purpose image and signal processing hardware was evaluated. A special purpose image processing system was designed and described using DGM. The design, suitable for very large scale integration (VLSI) implements a region labeling technique. Two computer chips were designed, both using metal-nitride-oxide-silicon (MNOS) technology, as well as a functional system utilizing those chips to perform real time region labeling. The system is described in terms of DGM primitives. As it is currently implemented, DGM is inappropriate for describing synchronous, tightly coupled, special purpose systems. The nature of the DGM formalism lends itself more readily to modeling networks of general purpose processors.

Snyder, W. E.↗