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DOE OSTI2024

A Geometric Derivation of the Governing Equations of Motion of Nonholonomic Dynamic Systems

Here, in this paper, we present a Riemannian geometric derivation of the governing equations of motion of nonholonomic dynamic systems. A geometric form of the work-energy principle is first derived. The geometric form can be realized in appropriate generalized quantities, and the independent equations of motion can be obtained if the subspace of generalized speeds allowable by nonholonomic constraints can be determined. We provide a geometric perspective of the governing equations of motion and demonstrate its effectiveness in studying dynamic systems subjected to nonholonomic constraints.

42 ENGINEERING↗

NASA NTRS2017

NEPP Program Task 17-294 Government Working Group

This presentation will discuss in detail NASA Government Working Group government topics from NASA Electronic Parts Assurance Group (NEPAG) which require additional in-depth technical solutions.

Quality Assurance and Reliability - Government Wor↗

DOE OSTI2025

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

An electronic-structure-centered perspective is presented on permanent-magnet (PM) design, highlighting two key levers, that is, saturation magnetization (M s ), governed by 3d-band filling and exchange physics, and magnetocrystalline anisotropy energy (MAE), arising from spin-orbit coupling (SOC) on anisotropic orbital populations. Reviewing current practices, including DFT-based MAE/J ij extraction, atomistic-spin and micromagnetic modeling, and high-throughput machine learning (ML) pipelines, three bottlenecks limiting predictive discovery is identified that is i) electronic-structure accuracy for small MAE (sensitive to functional choice, Hubbard U, and many-body effects), ii) finite-temperature and kinetic realism (phonon/magnon renormalization, ordering kinetics), and iii) descriptor and multiscale decoupling (lack of SOC-weighted and orbital-resolved fingerprints). Deep dives into the electronic-structure of Nd─Fe─B and Fe─N show how these fingerprints govern magnetic performance, motivating DFT- and quantum-mechanics-based descriptors for discovery. Unbiased, structure-driven exploration, coupled with high-throughput simulations, ML, generative AI, and reasoning models, accelerates candidate identification and propagates insights across scales. Addressing supply-chain risks, on future needs of designing “critical-element-free” magnets with tailored microstructure and high energy products is emphasized. By integrating electronic fingerprints, AI reasoning, and multiscale modeling, a practical roadmap is provided for rare-earth-lean or rare-earth free, high-performance, sustainable PMs.

Singh, Prashant [Ames Laboratory, and Iowa State U↗

DOE OSTI2025

Government sector activities to reduce thermal-spectrum molten salt breeder reactor investment risk

Thermal-Spectrum Molten Salt Breeder Reactors (TS-MSBRs) have long been recognized as having high potential for clean, safe, large-scale, cost-effective energy production for the foreseeable future. U.S. government support for TS-MSBR development was stopped half a century ago in the belief that they were too technically difficult. Technology progression over the past several decades as well as the pressing need for clean power on-demand provides incentives to reconsider the development program cancellation. Limited, early-stage, government sector activities have the potential to sufficiently reduce investor risk to trigger the private sector investment necessary to commercialize the reactor class. In conclusion, these activities are summarized in this article.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Optimization problems governed by systems of PDEs with uncertainties

This paper reviews current theoretical and numerical approaches to optimization problems governed by partial differential equations (PDEs) that depend on random variables or random fields. Such problems arise in many engineering, science, economics and societal decision-making tasks. This paper focuses on problems in which the governing PDEs are parametrized by the random variables/fields, and the decisions are made at the beginning and are not revised once uncertainty is revealed. Examples of such problems are presented to motivate the topic of this paper, and to illustrate the impact of different ways to model uncertainty in the formulations of the optimization problem and their impact on the solution. A linear–quadratic elliptic optimal control problem is used to provide a detailed discussion of the set-up for the risk-neutral optimization problem formulation, study the existence and characterization of its solution, and survey numerical methods for computing it. Different ways to model uncertainty in the PDE-constrained optimization problem are surveyed in an abstract setting, including risk measures, distributionally robust optimization formulations, probabilistic functions and chance constraints, and stochastic orders. Furthermore, approximation-based optimization approaches and stochastic methods for the solution of the large-scale PDE-constrained optimization problems under uncertainty are described. Some possible future research directions are outlined.

Heinkenschloss, Matthias [Rice Univ., Houston, TX ↗

DOE OSTI2026

The Factors Governing Metal Dependence of an Emergent Superfamily of Bimetallic Oxygenases

Metalloenzyme superfamilies are typically defined by their protein scaffolds and active sites. Owing to the high tunability of protein structures, members of a single superfamily can catalyze diverse reactions with the same metallocofactor. Some superfamilies, such as amidohydrolase-related dinuclear oxygenases (AROs), display further versatility by utilizing multiple metallocofactors. We have shown that certain AROs catalyze monooxygenation reactions with diiron, dimanganese, and/or mixed manganese−iron cofactors, but the molecular factors governing the selection of a particular cofactor remain unknown, and the extent of this superfamily in biology is unclear. Here, we report bioinformatic analyses that expand the ARO superfamily to approximately 17,000 unique UniProt sequences, far exceeding the number of previously characterized enzymes. Through the integration of structural, spectroscopic, and thermodynamic analyses of representative proteins with a bioinformatic pipeline that identifies key secondary- and tertiary-sphere residues, we can predict in silico the metal preference for the majority of reported ARO sequences. These annotations were validated via the characterization of multiple new AROs, including ones implicated in key oxidative steps of natural product biosyntheses. This study establishes the key structure−function relationships governing metal preferences in AROs and highlights their vastly underappreciated role in myriad biological processes.

Liu, Chang [University of California, Berkeley, CA↗

DOE OSTI2024

Research to Confront Climate Change Complexity: Intersectionality, Integration, and Innovative Governance

Abstract Climate impacts increasingly unfold in interlinked systems of people, nature, and infrastructure. The cascading consequences are revealing sometimes surprising connections across sectors and regions, and prospects for climate responses also depend on complex, difficult‐to‐understand interactions. In this commentary, we build on the innovations of the United States Fifth National Climate Assessment to suggest a framework for understanding and responding to complex climate challenges. This approach involves: (a) integration of disciplines and expertise to understand how intersectionality shapes complex climate impacts and the wide‐ranging effects of climate responses, (b) collaborations among diverse knowledge holders to improve responses and better encompass intersectionality, and (c) sustained experimentation with and learning about governance approaches capable of handling the complexity of climate change. Together, these three pillars underscore that usability of climate‐relevant knowledge requires transdisciplinary coordination of research and practice. We outline actionable steps for climate research to incorporate intersectionality, integration, and innovative governance, as is increasingly necessary for confronting climate complexity and sustaining equitable, ideally vibrant climate futures.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Controlled environment agriculture: An opportunity to strengthen interagency research collaboration in the US government

Challenges facing food production and agricultural systems are increasingly interconnected with economic, security, health, and equity issues, among others. Threats such as extreme weather, economic volatility, and shrinking water resources and arable land, influence our ability to maintain a safe and resilient food supply. One promising solution to these threats is controlled environment agriculture (CEA). In many cases, CEA can drastically reduce the amount of water and land used in crop production while increasing productivity. Operations may be established in nearly any environment and harvests can take place year-round, supporting food system resiliency and sustainability. CEA sits at the nexus of a number of disciplines and industries, making it well suited for transdisciplinary and multi-institutional research coordination. Herein, authors from multiple US government agencies present CEA as a case study in improving cross-agency research collaboration. The federal government houses a range of scientific expertise and research capabilities, positioning scientists to lead national and global efforts in transdisciplinary, interagency approaches to complex challenges. Navigating cross-agency collaboration can be a challenge, especially coordinating across different scientific disciplines, geographic locations, and funding mechanisms. To enhance multiagency efforts, collaborators could prioritize (i) organizing personnel and resources, (ii) enhancing existing multiagency collaborations, and (iii) focusing on further opportunities for coordination. Adopting these approaches could enable federal researchers to reinforce and advance academic and industry efforts to address current CEA challenges while solidifying the United States as a leader in this arena.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

NeuDiff Agent: a governed AI workflow for single-crystal neutron crystallography

Large-scale facilities increasingly face analysis and reporting latency as a limiting step in scientific throughput, particularly for structural studies that require iterative reduction, integration, refinement and validation. To improve the time to result and analysis efficiency, NeuDiff Agent is introduced as a governed, tool-using AI workflow for TOPAZ at the Spallation Neutron Source. NeuDiff Agent takes instrument data through reduction, integration, refinement and validation to a validated crystal structure and a publication-ready CIF. NeuDiff Agent coordinates established crystallographic tools under explicit governance by restricting actions to allowlisted tools, enforcing fail-closed verification gates at key workflow boundaries, and capturing complete provenance for inspection, auditing and controlled replay. The present benchmark is limited to structural crystallography for periodic structures; magnetic structure analysis and incommensurate or superspace refinement are outside the scope of the current workflow. Performance is assessed using a fixed prompt protocol and repeated end-to-end runs with two large language model backends, with user and machine time partitioned and intervention burden and recovery behaviors quantified under gating. In a reference-case benchmark, NeuDiff Agent reduces wall time from 435 min (manual) to 86.5 ± 4.7 to 94.4 ± 3.5 min (4.6–5.0× faster) while producing a validated CIF with no checkCIF level A or B alerts. These results establish a practical route to deploy agentic AI in facility crystallography while preserving traceability and publication-facing validation requirements.

Xiao, Zhongcan [ORNL] (ORCID:0000000220761961)↗

NASA NTRS1973

Numerical solution of equations governing longitudinal suspension line wave motion during the parachute unfurling process

Equations are presented which govern the dynamics of the lines-first parachute unfurling process, including wave motion in the parachute suspension lines. Techniques are developed for obtaining numerical solutions to the governing equations. Histories of tension at test data, and generally good agreement is observed. Errors in computed results are attributed to several areas of uncertainty, the most significant being a poorly defined boundary condition on the wave motion at the vehicle-suspension line boundary.

Poole, L. R.↗

NASA NTRS1974

Cooperative efforts by industry and government to develop geothermal resources

The Federal government's current plans for participation in the geothermal field appear to affect four major areas of interest: (1) resources exploration and assessment, (2) resources utilization projects, (3) advanced research and technology, and (4) environmental, legal, and institutional research. Private industry is also actively involved in these same areas of interest. Because of lack of coordination and communication between the private and public sector, it appears that there will be considerable duplication of effort, and, in some cases, serious conflict. It is also likely that this lack of coordination and communication may result in lack of effort in some key areas. Close coordination and communication between government and industry may resolve some of the major problems that are clearly evident.

Butler, D. R.↗

NASA NTRS1977

The technical challenge of air transportation - A Government view

This paper reviews the research and technology that must be conducted, and the facility investments that must be made, in order to assure that the United States is adequately prepared to meet the challenges that air transportation will provide in the future. The technical focal points for the next decade are reviewed in the context of the emerging pattern of air transportation needs for the remainder of the Century and the prospects for satisfying these needs are discussed. Particular attention is given to the responsibility that the Government must assume in aviation R&T and to the relationship that must be encouraged between the Government, the Industry and the University Community.

Roberts, L.↗

NASA NTRS1981

Government and industry interactions in the development of clock technology

It appears likely that everyone in the time and frequency community can agree on goals to be realized through the expenditure of resources. These goals are the same as found in most fields of technology: lower cost, better performance, increased reliability, small size and lower power. Related aspects are examined in the process of clock and frequency standard development. Government and industry are reviewed in a highly interactive role. These interactions include judgements on clock performance, what kind of clock, expenditure of resources, transfer of ideas or hardware concepts from government to industry, and control of production. Successful clock development and production requires a government/industry relationship which is characterized by long-term continuity, multidisciplinary team work, focused funding and a separation of reliability and production oriented tasks from performance improvement/research type efforts.

Hellwig, H.↗

NASA NTRS1983

Numerical computation of transonic flow governed by the full-potential equation

Numerical solution techniques for solving transonic flow fields governed by the full potential equation are discussed. In a general sense relaxation schemes suitable for the numerical solution of elliptic partial differential equations are presented and discussed with emphasis on transonic flow applications. The presentation can be divided into two general categories: An introductory treatment of the basic concepts associated with the numerical solution of elliptic partial differential equations and a more advanced treatment of current procedures used to solve the full potential equation for transonic flow fields. The introductory material is presented for completeness and includes a brief introduction (Chapter 1), governing equations (Chapter 2), classical relaxation schemes (Chapter 3), and early concepts regarding transonic full potential equation algorithms (Chapter 4).

Holst, T. L.↗

NASA NTRS1983

Local governments LANDSAT applications program

The approach used to develop the internal capabilities of local governments to handle and evaluate LANDSAT data included remote sensing training, development of a low-cost digital image processing system, and technical assistance. Cost sharing, program management and coordination, and networking were also employed to address problems related to land use, water resources, environmental assessment, and air quality as experienced by urban planners. Local experiences gained in Atlanta, Georgia; Henrico County, Virginia; Oklahoma City; Oklahoma; and San Jose, California are described. Policy recommendations formulated for transferring remote sensing technologies to local governments are included.

Source record↗

NASA NTRS1985

Parallel processor programs in the Federal Government

In 1982, a report dealing with the nation's research needs in high-speed computing called for increased access to supercomputing resources for the research community, research in computational mathematics, and increased research in the technology base needed for the next generation of supercomputers. Since that time a number of programs addressing future generations of computers, particularly parallel processors, have been started by U.S. government agencies. The present paper provides a description of the largest government programs in parallel processing. Established in fiscal year 1985 by the Institute for Defense Analyses for the National Security Agency, the Supercomputing Research Center will pursue research to advance the state of the art in supercomputing. Attention is also given to the DOE applied mathematical sciences research program, the NYU Ultracomputer project, the DARPA multiprocessor system architectures program, NSF research on multiprocessor systems, ONR activities in parallel computing, and NASA parallel processor projects.

Schneck, P. B.↗

NASA NTRS1985

Federal government provision of third-party liability insurance to space vehicle users

Support decisions concerning the provision by the Federal Government of third-party liability insurance for commercial space activities were studied. The practices associated with third-party liability insurance in the marine, aviation, and electric utility industries in addition to those industries associated with space missions were reviewed. Theoretical considerations of rate setting are discussed and a methodology to determine the period of time over which the insurers of each industry intend to set aside reserves to recover from a maximum liability loss should one occur is introduced. The data were analyzed to determine the setaside period in each industry, and to suggest reasonable standards from the insurer's point of view. Criteria for Federal provision of insurance are discussed, an interpretation of the Price-Anderson Act, determinants of the availability of commercial insurance, potential insurer liability, and measures of reasonableness for premium rates from the user's point of view are presented. Options available to the government regarding third part liability protection are presented.

Source record↗

NASA NTRS1986

Opportunities and challenges in heat transfer - From the perspective of the government laboratory

The technological problems in which heat transfer research is required are briefly reviewed, discussing the role of the government laboratory in this research. The Hot Section Technology Program at NASA Lewis is addressed as an example. A building-block approach to turbine aerothermal research is shown, as is an interactive computational/experimental synergism and an interdisciplinary research methodology for life prediction of turbine engine hot-section components. The main issues for government laboratories as organizers and focusers in this area of research are listed, and challenges and opportunities for the future are indicated.

Simoneau, Robert J.↗