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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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NASA NTRS1992

A high performance, ad-hoc, fuzzy query processing system for relational databases

Database queries involving imprecise or fuzzy predicates are currently an evolving area of academic and industrial research. Such queries place severe stress on the indexing and I/O subsystems of conventional database environments since they involve the search of large numbers of records. The Datacycle architecture and research prototype is a database environment that uses filtering technology to perform an efficient, exhaustive search of an entire database. It has recently been modified to include fuzzy predicates in its query processing. The approach obviates the need for complex index structures, provides unlimited query throughput, permits the use of ad-hoc fuzzy membership functions, and provides a deterministic response time largely independent of query complexity and load. This paper describes the Datacycle prototype implementation of fuzzy queries and some recent performance results.

Mansfield, William H., Jr.↗

DOE OSTI2025

A higher-order finite-element implementation of the nonlinear Fokker–Planck collision operator for charged particle collisions in a low density plasma

Collisions between particles in a low density plasma are described by the Fokker–Planck collision operator. In applications, this nonlinear integro-differential operator is often approximated by linearised or ad-hoc model operators due to computational cost and complexity. In this work, we present an implementation of the nonlinear Fokker–Planck collision operator written in terms of Rosenbluth potentials in the Rosenbluth–MacDonald–Judd (RMJ) form. The Rosenbluth potentials may be obtained either by direct integration or by solving partial differential equations (PDEs) similar to Poisson's equation: we optimise for performance and scalability by using sparse matrices to solve the relevant PDEs. We represent the distribution function using a tensor-product continuous-Galerkin finite-element representation and we derive and describe the implementation of the weak form of the collision operator. We present tests demonstrating a successful implementation using an explicit time integrator and we comment on the speed and accuracy of the operator. Finally, we speculate on the potential for applications in the current and next generation of kinetic plasma models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Produced water sharing: Improved economics and reduced community impact – A Pennsylvania case study

Here, hydraulic fracturing for oil and gas extraction from unconventional reservoirs is water intensive. Between water sourced for fracturing purposes and water present in rock formations, operators often produce a greater volume of water than oil or gas. Historically, this surplus of produced water has mainly been disposed of via deep injection wells. Rising disposal costs, seasonally limited water availability, and concerns over induced seismicity have incentivized produced water recycling practices, where an operator uses produced water for hydraulic fracturing operations. The logistical challenges associated with produced water recycling have also encouraged operators to adopt ad-hoc water exchange practices, in which competing operators will exchange produced water for mutual cost savings. In this paper, we investigate the potential benefit from systematic produced water exchange among operators in Northeastern Pennsylvania. We leverage PARETO, a free and open-source modeling framework for produced water management optimization, to quantify the benefits of water exchange practices. In an example drawn from FracFocus data, we find that the adoption of systematic water sharing could improve produced water recycling rates from 49.2% to 99%, decreasing operating and trucking costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Direct comparison of gyrokinetic and fluid scrape-off layer simulations

Typically, fluid simulations are used for tokamak divertor design. However, fluid models are only valid if the scrape-off layer (SOL) is highly collisional. This assumption is valid in many present-day experiments but is questionable in the upstream SOL of some high-power scenarios envisioned for burning plasmas and fusion pilot plants. This paper reports on comparisons between fluid and kinetic simulations of the SOL for upstream parameters and geometry representative of the Spherical Tokamak for Energy Production fusion pilot plant. The SOLPS-ITER (fluid) and Gkeyll (gyrokinetic) codes are operated in a two-dimensional axisymmetric mode, which replaces turbulence with ad-hoc diffusivities. In kinetic simulations, we observe that the ions in the upstream SOL experience significant mirror trapping. This substantially increases the upstream temperature and has important implications for impurity dynamics. We show that the mirror force, which is excluded in SOLPS’s fluid equations, enhances the electrostatic potential drop along the field line in the SOL. We also show that the assumption of equal main ion and impurity temperatures, which is made in commonly used fluid codes, is invalid for the regimes explored here. The combination of these effects results in superior confinement of impurities to the divertor region in kinetic simulations, consistent with our earlier predictions [Kotschenreuther et al., in 29th IAEA 29 Fusion Energy Conference (IAEA, London, UK, 2023)]. This effect can be dramatic, reducing the midplane impurity density by orders of magnitude. These results indicate that in lower collisionality SOL’s the tolerable downstream impurity densities may be higher than would be predicted by fluid simulations, allowing for higher radiated power while avoiding unacceptable core contamination. Our results highlight the importance of kinetic simulations for divertor design and optimization for fusion pilot plants.

Computational fluid dynamics↗

DOE OSTI2025

Modeling of convective cells, turbulence, and transport induced by a radio-frequency antenna in the tokamak boundary plasma

The edge turbulence model Hermes (Dudson et al 2017 Plasma Phys. Control. Fusion 59 05401) is set up for plasma boundary simulations with an radiofrequency (RF) antenna, using parameters characteristic of a tokamak edge. Cartesian slab geometry is used with thin plate limiters representing the ion cyclotron range of frequency (ICRF) antenna side-wall limiters. Ad-hoc DC electric biasing of the limiters, motivated by calculations with VSim (Nieter et al 2004 J. Comput. Phys. 196 448), represents an induced RF sheath rectified potential in the plasma turbulence model. Flux-driven turbulence simulations demonstrate a realistic distribution of plasma profiles and fluctuations. There is a clear effect of the antenna sheath voltage leading to formation of convective cells; bias-induced convective transport flattens the scrape-off layer density profile and fluctuations penetrate into the shadow region of the limiters as the bias voltage increases. Turbulent transport for impurity ions is inferred by following ion trajectories in the simulated plasma turbulence fields, showing Bohm-like effective diffusion rates. All in all, the model elucidates the key physical phenomena governing the effects of ICRF-induced antenna biasing on the tokamak boundary plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Modeling of the high column density systems in the Lyman-Alpha forest

The Lyman-α forests observed in the spectra of high-redshift quasars can be used as a tracer of the cosmological matter density to study baryon acoustic oscillations (BAO) and the Alcock-Paczynski effect. Extraction of cosmological information from these studies requires modeling of the forest correlations. While the models depend most importantly on the bias parameters of the intergalactic medium (IGM), they also depend on the numbers and characteristics of high-column-density systems (HCDs) ranging from Lyman-limit systems with column densities log N HI /1cm -2 > 17 to damped Lyman-α systems (DLAs) with log N HI /1cm -2 > 20.2. These HCDs introduce broad damped absorption characteristic of a Voigt profile. Consequently they imprint a component on the power spectrum whose modes in the radial direction are suppressed, leading to a scale-dependent bias. Using mock data sets of known HCD content, we test a model that describes this effect in terms of the distribution of column densities of HCDs, the Fourier transforms of their Voigt profiles and the bias of the halos containing the HCDs. Our results show that this physically well-motivated model describes the effects of HCDs with an accuracy comparable to that of the ad-hoc models used in published forest analyses. We also discuss the problems of applying the model to real data, where the HCD content and their bias is uncertain.

Lyman alpha forest↗

DOE OSTI2025

CoverM: read alignment statistics for metagenomics

SUMMARY: Genome-centric analysis of metagenomic samples is a powerful method for understanding the function of microbial communities. Calculating read coverage is a central part of analysis, enabling differential coverage binning for recovery of genomes and estimation of microbial community composition. Coverage is determined by processing read alignments to reference sequences of either contigs or genomes. Per-reference coverage is typically calculated in an ad-hoc manner, with each software package providing its own implementation and specific definition of coverage. Here we present a unified software package CoverM which calculates several coverage statistics for contigs and genomes in an ergonomic and flexible manner. It uses "Mosdepth arrays" for computational efficiency and avoids unnecessary I/O overhead by calculating coverage statistics from streamed read alignment results. AVAILABILITY AND IMPLEMENTATION: CoverM is free software available at https://github.com/wwood/coverm. CoverM is implemented in Rust, with Python (https://github.com/apcamargo/pycoverm) and Julia (https://github.com/JuliaBinaryWrappers/CoverM_jll.jl) interfaces.

Aroney, Samuel T N↗

DOE OSTI2025

A Tale from the Trenches: Applying Metamorphic and Differential Testing to Bioinformatics Software

Metamorphic and differential testing have been proposed as best practices for testing software that is difficult to test, such as for programs in scientific domains. An assumption is that these approaches can be easily customized and applied to almost any domain. However, scientific software is often data-driven, and metamorphic relations may require significant domain knowledge to develop. In addition, tools are often written for ad-hoc experimentation by the scientists and often embed many assumptions about the importance and representation of different natural phenomena. In this paper, we present our experience applying both metamorphic and differential testing to a set of four computational biology tools that predict the growth of an organism. While our original goal was to evaluate these techniques to improve our system-level testing, we encountered multiple roadblocks along the way. Although we did find faults (some confirmed by developers), we also uncovered a set of challenges, including the considerable manual effort required for (a) defining domain-specific tests, (b) validating correctness, and (c) distinguishing between issues stemming from poor data and those arising from incorrect software.

Marsh, Alexis L [Iowa State University/Ames Labora↗

DOE OSTI2025

FAIR to WISE (F2W) v1.0.0

FAIR to WISE (F2W) is an iterative, large-language model (LLM) driven pipeline that turns unstructured research PDFs into structured, queryable knowledge graphs (KGs). Core features include schema-driven extraction to a LinkML model; full provenance capture; ontology-grounded enrichment (e.g., chemical validation and ChEBI lookup); graph construction to JSON-LD with stable IDs; and KG-RAG question answering with evidence-aware retrieval. The system is engineered for reproducibility and accessibility (open-source Ollama models, temperature=0, NVTX/Nsight profiling) with robust QA (relation verification, deduplication, and deterministic outputs). Primary uses are literature-to-KG automation, knowledge-grounded Q&A, and experimental steering support. We demonstrate the approach in organic photovoltaics, where the pipeline ingests papers, builds a domain KG, and evaluates answers against expert competency questions to guide experimental planning and interpretation. Compared with off-the-shelf LLMs and ad-hoc NLP tools, F2W addresses ontology gaps and reduces hallucination risk by grounding responses in extracted evidence and enforcing schema constraints; it also offers deterministic, provenance-linked outputs and open, cost-aware deployment. Evidence-aware ranking further improves answer quality over pure vector search.

Abramov, David [Lawrence Berkeley National Laborat↗

DOE OSTI2026

AQDrop Quantum Service (AQDrop) v1.0

AQDrop is a job management system designed to streamline access to the Advanced Quantum Testbed (AQT) at NERSC (National Energy Research Scientific Computing Center). It serves as a centralized middleware layer between researchers and quantum processing hardware. Key Features: AQDrop provides a FastAPI-based server backed by PostgreSQL for job submission, queue management, and role-based access control (members, operators, and administrators). Users submit Qiskit circuits via JSON payloads, which are queued, dispatched to the QPU through the Qubic API, and returned as measurement counts. A Python client library and web dashboard round out the interface options. Primary Use: Researchers submit quantum circuit jobs from a laptop or login node; an operator client executes those jobs on the AQT's physical QPU and returns results — all coordinated through the central API. Advantages: Compared to ad-hoc or direct hardware access, AQDrop adds structured queue management, auditable job-status tracking and OAuth2 authentication — reducing scheduling conflicts and unauthorized access. Its containerized deployment also improves reproducibility and scalability. Overall, AQDrop functions as a purpose-built quantum job broker tailored to NERSC's specific hardware and institutional access requirements.

Caplinger, Evan [Lawrence Berkeley National Labora↗

DOE OSTI2025

The HTAP_v3.2 emission mosaic: merging regional and global monthly emissions (2000–2020) to support air quality modelling and policies

This study, performed under the umbrella of the Task Force on Hemispheric Transport of Air Pollution (TF-HTAP), responds to the need of the global and regional atmospheric modelling community of having a mosaic emission inventory of air pollutants that conforms to specific requirements: global coverage, long time series, spatially distributed emissions with high time resolution, and a high sectoral resolution. The mosaic approach of integrating official regional emission inventories based on locally reported data, with a global inventory based on a globally consistent methodology, allows modellers to perform simulations of a high scientific quality while also ensuring that the results remain relevant to policymakers. HTAP_v3.2, an ad-hoc global mosaic of anthropogenic inventories, is an update to the HTAP_v3 global mosaic inventory and has been developed by integrating official inventories over specific areas (North America, Europe, Asia including China, Japan and Korea) with the independent Emissions Database for Global Atmospheric Research (EDGAR) inventory for the remaining world regions. The results are spatially and temporally distributed emissions of SO 2 , NO x , CO, NMVOC, NH 3 , PM 10 , PM 2.5 , Black Carbon (BC), and Organic Carbon (OC), with a spatial resolution of 0.1 × 0.1° and time intervals of months and years covering the period 2000–2020 (https://doi.org/10.5281/zenodo.17086684, Crippa, 2025, https://edgar.jrc.ec.europa.eu/dataset_htap_v32, last access: 27 October 2025). The emissions are further disaggregated to 16 anthropogenic emitting sectors. This paper describes the methodology applied to develop such an emission mosaic, reports on source allocation, differences among existing inventories, and best practices for the mosaic compilation. One of the key strengths of the HTAP_v3.2 emission mosaic is its temporal coverage, enabling the analysis of emission trends over the past two decades. The development of a global emission mosaic over such long time series represents a unique product for global air quality modelling and for better-informed policy making, reflecting the community effort expended by the TF-HTAP to disentangle the complexity of transboundary transport of air pollution.

Guizzardi, Diego [European Commission, Ispra (Ital↗

NASA NTRS1973

The role of eddy turbulence in the development of self-consistent models of the lower and upper thermosphere

Numerical solutions of mutually coupled time dependent equations of continuity, momentum and energy balance are presented to illustrate the effect of eddy turbulence on the neutral composition and temperature of the lower and upper atmosphere. The procedure adopted eliminates the necessity of making ad-hoc assumptions about the conditions at the turbopause level and allows the study of the two regions in a self-consistent manner. From the illustrative examples comprising parametric changes in the eddy diffusion coefficient, the specific roles of eddy turbulence in the development of theoretical models of the thermosphere are discussed.

Chandra, S.↗

NASA NTRS1974

Analysis of complex elastic structures by a Rayleigh-Ritz component modes method using Lagrange multipliers

The free vibrations of elastic structures of arbitrary complexity were analyzed in terms of their component modes. The method was based upon the use of the normal unconstrained modes of the components in a Rayleigh-Ritz analysis. The continuity conditions were enforced by means of Lagrange Multipliers. Examples of the structures considered are: (1) beams with nonuniform properties; (2) airplane structures with high or low aspect ratio lifting surface components; (3) the oblique wing airplane; and (4) plate structures. The method was also applied to the analysis of modal damping of linear elastic structures. Convergence of the method versus the number of modes per component and/or the number of components is discussed and compared to more conventional approaches, ad-hoc methods, and experimental results.

Klein, L. R.↗

NASA NTRS1985

Earth Radiation Budget Experiment (ERBE) scanner instrument anomaly investigation

The results of an ad-hoc committee investigation of in-Earth orbit operational anomalies noted on two identical Earth Radiation Budget Experiment (ERBE) Scanner instruments on two different spacecraft busses is presented. The anomalies are attributed to the bearings and the lubrication scheme for the bearings. A detailed discussion of the pertinent instrument operations, the approach of the investigation team and the current status of the instruments now in Earth orbit is included. The team considered operational changes for these instruments, rework possibilities for the one instrument which is waiting to be launched, and preferable lubrication considerations for specific space operational requirements similar to those for the ERBE scanner bearings.

Watson, N. D.↗

NASA NTRS1985

Space Station Engineering and Technology Development. Proceedings of the Panel on Program Performance and Onboard Mission Control

An ad-hoc committee was asked to review the following questions relevant to the space station program: (1) onboard maintainability and repair; (2) in-space research and technology program and facility plans; (3) solar thermodynamic research and technology development program planning; (4) program performance (cost estimating, management, and cost avoidance); (5) onboard versus ground-based mission control; and (6) technology development road maps from IOC to the growth station. The objective of these new assignments is to provide NASA with advice on ways and means for improving the content, performance, and/or effectiveness of these elements of the space station program.

Source record↗

NASA NTRS1987

Development and application of computational aerothermodynamics flowfield computer codes

Multiple nozzle plume flow field is computed with a 3-D, Navier-Stokes solver. Numerical simulation is performed with a flux-split, two-factor, time asymptotic viscous flow solver of Ying and Steger. The two factor splitting provides a stable 3-D solution procedure under ideal-gas assumptions. An ad-hoc acceleration procedure that shows promise in improving the convergence rate by a factor of three for steady state problems is utilized. Computed solutions to generic problems at various altitude and flight conditions show flow field complexity and three-dimensional effects due to multiple nozzle jet interactions. Viscous, ideal gas solutions for the symmetric nozzle are compared with other numerical solutions.

Venkatapathy, Ethiraj↗

NASA NTRS1988

A performance/loss evaluation of SSME HPFTP turbine

An evaluation of component losses of the High Pressure Fuel Turbopump (HPFTP) in the Space Shuttle Main Engine (SSME) is performed using a mean-line prediction method. This is accompanied with an extensive review of loss correlations in the literature. The present prediction uses an existing gas path velocity triangle, real LH2 and H2O gas properties and loss correlations selected from the literature. The significant losses incurred in the HPFTP turbine include profile loss, secondary loss, and tip clearance loss. Results obtained from the present prediction are compared to those calculated from a quasi-three dimensional numerical analysis. Except for the clearance loss, the present loss coefficients are in general higher than their counterparts from the quasi-three dimensional analysis. The fact that the mean-line velocity data being unable to represent actual flow fields near the hub and the tip regions is largely responsible for the uncertainty involved in the present method. On the other hand, due mainly to the ad-hoc nature of the studies involved, the correlations currently available in the literature may not be suitable for accurate loss prediction of the particular rocket turbine in the SSME HPFTP. Further studies particularly in the areas of tip clearance loff, coolant loss, secondary loss, and their interactions are desirable. Fundamental phenomena concerning flow unsteadiness in wake shedding and turbulence are also important.

Chyu, Mingking K.↗

NASA NTRS1990

Multi-blocking strategies for the INS3D incompressible Navier-Stokes code

With the continuing development of bigger and faster supercomputers, computational fluid dynamics (CFD) has become a useful tool for real-world engineering design and analysis. However, the number of grid points necessary to resolve realistic flow fields numerically can easily exceed the memory capacity of available computers. In addition, geometric shapes of flow fields, such as those in the Space Shuttle Main Engine (SSME) power head, may be impossible to fill with continuous grids upon which to obtain numerical solutions to the equations of fluid motion. The solution to this dilemma is simply to decompose the computational domain into subblocks of manageable size. Computer codes that are single-block by construction can be modified to handle multiple blocks, but ad-hoc changes in the FORTRAN have to be made for each geometry treated. For engineering design and analysis, what is needed is generalization so that the blocking arrangement can be specified by the user. INS3D is a computer program for the solution of steady, incompressible flow problems. It is used frequently to solve engineering problems in the CFD Branch at Marshall Space Flight Center. INS3D uses an implicit solution algorithm and the concept of artificial compressibility to provide the necessary coupling between the pressure field and the velocity field. The development of generalized multi-block capability in INS3D is described.

Gatlin, Boyd↗