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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Benchmark and Framework for Encouraging Research on Multi-Threaded Testing Tools

A problem that has been getting prominence in testing is that of looking for intermittent bugs. Multi-threaded code is becoming very common, mostly on the server side. As there is no silver bullet solution, research focuses on a variety of partial solutions. In this paper (invited by PADTAD 2003) we outline a proposed project to facilitate research. The project goals are as follows. The first goal is to create a benchmark that can be used to evaluate different solutions. The benchmark, apart from containing programs with documented bugs, will include other artifacts, such as traces, that are useful for evaluating some of the technologies. The second goal is to create a set of tools with open API s that can be used to check ideas without building a large system. For example an instrumentor will be available, that could be used to test temporal noise making heuristics. The third goal is to create a focus for the research in this area around which a community of people who try to solve similar problems with different techniques, could congregate.

Havelund, Klaus↗
DOE OSTI2025

Enhancing Gaussian Process Surrogates for Optimization and Posterior Approximation via Random Exploration

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical GP-UCB algorithm, but the additional random exploration step accelerates their convergence, nearly achieving the optimal convergence rate. Furthermore, to facilitate Bayesian inference with intractable likelihoods, we propose to utilize optimization iterates for maximum a posteriori estimation to build a Gaussian process surrogate model for the unnormalized log-posterior density. We provide bounds for the Hellinger distance between the true and the approximate posterior distributions in terms of the number of design points. We demonstrate the effectiveness of our Bayesian optimization algorithms in nonconvex benchmark objective functions, in a machine learning hyperparameter tuning problem, and in a black-box engineering design problem. The effectiveness of our posterior approximation approach is demonstrated in two Bayesian inference problems for parameters of dynamical systems.

Bayesian inference↗
DOE OSTI2026

H2@Scale - Validating an Electrolysis System with High Output Pressure: Cooperative Research and Development Final Report, CRADA Number CRD-18-00741

Electrolysis has been a commercially available product for a while and electrolyzers have been a proven capability to provide additional benefits (e.g. controllable load for grid services) in addition to production of hydrogen. The hydrogen output is typically compressed for storage and dispensing. Compression adds cost and decreases system reliability. Honda’s electrolyzer systems have been developed to include electrochemical compression to leverage the production system itself for at least partial compression. In this project, the team will evaluate Honda’s PEM based electrochemical compression system. The system is capable of compressing hydrogen up to 70 MPa electrochemically. Validation testing is the next step to accelerate this technology into the marketplace, as the validation will provide needed data under a variety of operation conditions and controls. These operating conditions and controls are based on over a decade of NLR research and development with low-temperature electrolysis. The validation testing will include preparing NLR’s site for third party evaluation, benchmark testing of Honda’s stack and system, and simulating operation connected to renewables or in a grid service profile. NLR’s Energy System Integration Lab will be the location for the electrolyzer validation research and integrated into the Hydrogen Infrastructure Test & Research Facility (HITRF). This will build into the existing retail style hydrogen fueling station for a fully integrated experimental setup.

08 HYDROGEN↗
DOE OSTI2025

Using Apptainer in a Pilot-based Distributed Workload

GlideinWMS is a pilot and pressure-based workload manager for distributed scientific computing. Many experiments like CMS and Fermilab’s Neutrino experiments use it to provision elastic clusters for their analysis and simulations, split into close to a million concurrent jobs. Most user jobs require containers, and the pilots use Apptainer to set up the desired platform. For the pilots that run as regular batch jobs, Apptainer is safer, lighter, and easier to use than other containerization solutions. Many images used by the pilots are expanded SIF images distributed via the CernVM-FS: this combination is very efficient. At Fermilab, for example, we store on GitHub Dockerfiles that mimic the platform in the worker nodes of local clusters. GitHub workflows build and push the images to Docker Hub, and a service periodically pulls and converts them to the expanded SIF images in the CernVM-FS, so the scientists can find a familiar environment everywhere. Apptainer has also been used to run services inside the pilot jobs, like benchmarks that characterize the worker node being used, or a Triton Inference Server that allows sharing a GPU with all the jobs that run in parallel on a node.

Mambelli, Marco [Fermilab] (ORCID:0000000294892681↗
DOE OSTI2025

DFAT: A web-based toolkit for estimating demand flexibility in building-to-grid integration

Demand Flexibility Assessment Tool (DFAT) is an open source web-based tool that estimates the demand flexibility potential of common control strategies in commercial buildings. The toolkit features a demand flexibility estimation tool that contains two calculators, basic and advanced, based on the level of input of customer data. The basic version calculates demand shed metrics for the control strategy “global temperature adjustment” and “cycle on/off compressors” using customer building information, local weather data, and electrical meter data. The advanced version, which uses detailed HVAC equipment data, calculates demand flexibility metrics for control strategies such as static pressure reset, global temperature adjustment, and cycle on/off compressors. In addition to the demand flexibility estimation tool, this toolkit offers a benchmarking tool that helps facility operators, aggregators, and utility resource managers assess demand flexibility opportunities, quantify/verify performance, and compare their performance against that of their peers.

Leong, Michael↗
DOE OSTI2026

Africa Battery Energy Storage Systems (BESS) Capacity Building Utility-Scale Storage: BESS Valuation, Tariffs, and Remuneration [Slides]

Utility-scale Battery Energy Storage Systems (BESS) are key to enhancing grid reliability, integrating renewable energy, and providing operational flexibility. Designing effective valuation, remuneration, and tariff frameworks is essential to ensure both system benefits and financial viability for developers. This presentation outlines a structured methodology for evaluating BESS projects, covering policy and legal considerations, cost and revenue analysis, benchmarking, financial sensitivity, and risk assessment, while ensuring alignment with public interest. It also explores valuation of multiple storage services - bulk energy, ancillary services, and infrastructure support - and monetization strategies through capacity payments, energy tariffs, tolling, arbitrage, and non-wires alternative payments. Technical factors, including round-trip efficiency, degradation, and storage duration, are integrated into financial and operational modeling to quantify both system-wide and project-level benefits. Through case studies and simulation-based approaches, this framework provides regulators, utilities, and developers with practical guidance for tariff design, payment structures, and investment decisions, maximizing the economic and societal value of BESS deployment.

25 ENERGY STORAGE↗
DOE OSTI2024

BRAKER3: Fully automated genome annotation using RNA-seq and protein evidence with GeneMark-ETP, AUGUSTUS, and TSEBRA

Gene prediction has remained an active area of bioinformatics research for a long time. Still, gene prediction in large eukaryotic genomes presents a challenge that must be addressed by new algorithms. The amount and significance of the evidence available from transcriptomes and proteomes vary across genomes, between genes, and even along a single gene. User-friendly and accurate annotation pipelines that can cope with such data heterogeneity are needed. The previously developed annotation pipelines BRAKER1 and BRAKER2 use RNA-seq or protein data, respectively, but not both. A further significant performance improvement integrating all three data types was made by the recently released GeneMark-ETP. We here present the BRAKER3 pipeline that builds on GeneMark-ETP and AUGUSTUS, and further improves accuracy using the TSEBRA combiner. BRAKER3 annotates protein-coding genes in eukaryotic genomes using both short-read RNA-seq and a large protein database, along with statistical models learned iteratively and specifically for the target genome. We benchmarked the new pipeline on genomes of 11 species under an assumed level of relatedness of the target species proteome to available proteomes. BRAKER3 outperforms BRAKER1 and BRAKER2. The average transcript-level F1-score is increased by about 20 percentage points on average, whereas the difference is most pronounced for species with large and complex genomes. BRAKER3 also outperforms other existing tools, MAKER2, Funannotate, and FINDER. The code of BRAKER3 is available on GitHub and as a ready-to-run Docker container for execution with Docker or Singularity. Overall, BRAKER3 is an accurate, easy-to-use tool for eukaryotic genome annotation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

HPC ODA Commons [SWR-26-003]

HPC ODA Commons is a community-driven platform for standardizing HPC operational data analytics. HPC sites generate enormous volumes of operational data - scheduler logs, accounting records, monitoring streams - but turning that data into actionable insight is needlessly hard. Each site builds bespoke parsers, schemas, and evaluation pipelines. Results can't be compared across institutions. Promising analytics ideas stay siloed because there's no shared language for describing the data, the experiments, or the outcomes. HPC ODA Commons fixes this by establishing community-governed contracts - versioned schemas, canonical artifacts, and benchmark recipes - that make ODA workflows discoverable, reproducible, and comparable. It pairs these standards with a practical, CLI-first toolkit that lets operators and researchers go from raw logs to standardized results without sending data off-cluster.

Menear, Kevin [National Laboratory of the Rockies ↗
DOE OSTI2023

A subdivision-stabilized B-spline mixed material point method

Subjected to external loadings, polymeric materials, e.g., biological tissues, hydrogels, and elastomers, may undergo extreme, nearly incompressible, (self-)contact deformations. For numerical modeling employing mesh-based techniques such as the finite element method (FEM), these deformations pose significant challenges due to large distortions in the deformed geometry, accuracy issues stemming from volumetric locking effects, and increased computational cost from complex contact searches. As an alternative to mesh-based methods, the material point method (MPM), a continuum-based particle technique, is gaining attention for its ability to handle extreme distortions and capture no-slip contact without added cost. For nearly incompressible material behaviors, while mixed formulations can address locking effects by treating displacements and pressure as independent fields, they can suffer from numerical instabilities close to the incompressibility limit due to the violation of the inf-sup condition, leading to inaccurate nodal pressure solutions. Here we propose an efficient and stable mixed B-spline material point method with highest achievable regularity for quasi-compressible polymeric materials. Using the two-scale relation of B-splines, we introduce a subdivision-stabilization for the two-field mixed MPM and obtain numerically stable, oscillation-free nodal solutions with equal-order interpolations with optimal regularity. Building on the Eulerian-Lagrangian nature of MPM, a previously-converged solution framework is adopted to mitigate issues related to cell-crossing and numerical fracture artifact present in standard MPM. We assess the stability and accuracy of the developed mixed MPM at large deformations for soft materials through the benchmark Cook’s membrane problem. Additionally, we test the robustness of the proposed MPM by modeling several examples, including the compression and indentation of a circular block into a quasi-compressible substrate and the twisting deformation of a rectangular block. The findings demonstrate the MPM’s capabilities for modeling practical soft material applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computer Vision on Edge Devices for the Short Term Prediction of Cloud Cover

Edge Computing and IoT are important pieces of today's technological landscape. Here, we build a low-cost IoT sensor for sky imaging and program it using AWS GreenGrass, one of the leading IoT platforms. We demonstrate remote reprogramming of this device to load software that predicts sun shading events through the linear advection method, which is a baseline algorithm that can be used to benchmark algorithmic improvements in future work. Some future directions for sky imaging research are enumerated.

14 SOLAR ENERGY↗
DOE OSTI2022

Muonic force behind flavor anomalies

We develop an economical theoretical framework for combined explanations of the flavor physics anomalies involving muons: (g - 2) μ , R K(*), and b → sμ + μ - angular distributions and branching ratios, that was first initiated by some of us in ref. [1]. The Standard Model (SM) is supplemented with a lepton-flavored U(1) X gauge group. The U(1) X gauge boson with the mass of O(0.1) GeV resolves the (g - 2) μ tension. A TeV-scale leptoquark, charged under the U(1) X , carries a muon number and mediates B-decays without prompting charged lepton flavor violation or inducing proton decay. We explore the theory space of the chiral, anomaly-free U(1) X gauge extensions featuring the above scenario, and identify many suitable charge assignments for the SM+3ν R fermion content with the integer charges in the range X F i $\in$ [-10, 10]. We then carry out a comprehensive phenomenological study of the muonic force in representative benchmark models. Interestingly, we found models which can resolve the tension without conflicting the complementary constraints, and all of the viable parameter space will be tested in future muonic resonance searches. Finally, the catalog of the anomaly-free lepton-non-universal charge assignments motivated us to explore different directions in model building. We present a model in which the muon mass and the (g - 2) μ are generated radiatively from a common short-distance dynamics after the U(1) X breaking. We also show how to charge a vector leptoquark under U(1) μ-τ in a complete gauge model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Gyrokinetic electromagnetic particle simulations in triangular meshes with C1 finite elements

The triangular mesh-based gyrokinetic scheme enables comprehensive axis-to-edge studies across the entire plasma volume. Our approach employs triangular finite elements with first-derivative continuity (C1), building on previous work to facilitate gyrokinetic simulations. Additionally, we have adopted the mixed variable/pullback scheme for gyrokinetic electromagnetic particle simulations. The filter-free treatment in the poloidal cross-section with triangular meshes introduces unique features and challenges compared to previous treatments using structured meshes. Our implementation has been validated through benchmarks using ITPA-toroidicity-induced Alfvén eigenmode parameters, showing its capability in moderate to small electron skin depth regimes. Additional examinations using experimental parameters confirm its applicability to realistic plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Real-Time GPU-Accelerated OFDR With an Integrated Auxiliary Interferometer

A GPU-accelerated optical frequency domain reflectometry (OFDR) system with an improved integrated auxiliary interferometer is proposed. Unlike conventional approaches that require separate auxiliary interferometers and multiple detection channels, the proposed OFDR system embeds this functionality directly into the signal via an intentional beat component. This enables self-calibration of laser nonlinearity while maintaining a cost-effective hardware configuration. Building on this simplified configuration, the system leverages GPU acceleration with an NVIDIA RTX 4070 Ti to achieve real-time performance, delivering high-throughput signal processing for continuous OFDR interrogation. The signal processing pipeline comprises signal capture, resampling for nonlinearity compensation, and frequency shift computation, all optimized for parallel execution. Hardware benchmarking demonstrates substantial acceleration over CPU implementations, achieving up to a 45× speedup for resampling and frequency shift computations and enabling processing latencies below 30 ms. Thermal response validation is conducted under two complementary scenarios: localized heating using a water bath and cryogenic-temperature conditions using liquid nitrogen. Under localized heating, the system achieves an accuracy of 0.249 °C with a thermal sensitivity of 5.971 GHz/°C, while cryogenic-temperature validation demonstrates a frequency shift response with a sensitivity of 2.383 GHz/°C and an accuracy of 2.04 °C. The high acceleration of the proposed GPU-accelerated OFDR system and its accuracy are achieved by exploiting CUDA-based stride indexing, enabling efficient parallel segmentation and processing of large datasets without additional memory copies. The benchmarking results confirm the robustness, accuracy, and deployability of the proposed OFDR system across a wide temperature range, establishing it as a practical platform for real-time distributed fiber sensing in structurally dynamic environments.

Harb, Salah [Lawrence Berkeley National Laboratory↗
DOE OSTI2022

A Southern Photometric Quasar Catalog from the Dark Energy Survey Data Release 2

We present a catalog of 1.4 million photometrically selected quasar candidates in the southern hemisphere over the ~5000 deg 2 Dark Energy Survey (DES) wide survey area. We combine optical photometry from the DES second data release (DR2) with available near-infrared (NIR) and the all-sky unWISE mid-infrared photometry in the selection. We build models of quasars, galaxies, and stars with multivariate skew-t distributions in the multidimensional space of relative fluxes as functions of redshift (or color for stars) and magnitude. Our selection algorithm assigns probabilities for quasars, galaxies, and stars and simultaneously calculates photometric redshifts (photo-z) for quasar and galaxy candidates. Benchmarking on spectroscopically confirmed objects, we successfully classify (with photometry) 94.7% of quasars, 99.3% of galaxies, and 96.3% of stars when all IR bands (NIR YJHK and WISE W1W2) are available. The classification and photo-z regression success rates decrease when fewer bands are available. Our quasar (galaxy) photo-z quality, defined as the fraction of objects with the difference between the photo-z z p and the spectroscopic redshift z s , |Δz| ≡ |z s - z p |/(1 + z s ) ≤ 0.1, is 92.2% (98.1%) when all IR bands are available, decreasing to 72.2% (90.0%) using optical DES data only. Our photometric quasar catalog achieves an estimated completeness of 89% and purity of 79% at r < 21.5 (0.68 million quasar candidates), with reduced completeness and purity at 21.5 < r ≲ 24. Among the 1.4 million quasar candidates, 87,857 have existing spectra, and 84,978 (96.7%) of them are spectroscopically confirmed quasars. Finally, we provide quasar, galaxy, and star probabilities for all (0.69 billion) photometric sources in the DES DR2 coadded photometric catalog.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Compaction of crushed salt for safe containment – overview of the KOMPASS project

Abstract. In Germany, rock salt formations are possible host rock candidates for a repository for heat-emitting radioactive waste. The safety concept of a repository in salt bases on a multibarrier system consisting mainly of the geological barrier salt and geotechnical seals ensuring safe containment. Crushed salt will be used for backfilling of cavities and sealing measures in drifts and shafts due to its favourable properties and its easy availability (mined-off material). The creep of the rock salt leads to crushed salt compaction with time. Thereby, the crushed salts' porosity is reduced from the initial porosity of 30 %–40 % to a value comparable to the porosity of undisturbed rock salt (≤1 %). In such low porosity ranges, technical impermeability is assumed. The compaction behaviour of crushed salt is rather complex and involves several coupled THM processes (Kröhn et al., 2017; Hansen et al., 2014). It is influenced by internal properties like humidity and grain size distribution, as well as boundary conditions such as temperature, compaction rate or stress state. However, the current process understanding has some important gaps referring to the material behaviour, experimental database and numerical modelling. It needs to be extended and validated, especially in the low porosity range. The objective of the KOMPASS project was development of methods and strategies for the reduction of deficits in the prediction of crushed salt compaction leading to an improvement of the prognosis quality. Key results are as follows (KOMPASS Phase 1, 2020): selection of an easily available and permanently producible synthetic crushed salt mixture, acting as a reference material for generic investigations; development and proof of different techniques for producing pre-compacted samples for further investigations; establishment of a tool of microstructure investigation methods to demonstrate the comparability of grain structures of pre-compacted samples with in-situ compacted material for future investigations; execution of various laboratory experiments using pre-compacted samples, e.g. long-term creep tests which deliver reliable information about time- and stress-dependent compaction behaviour; development of a complex experimental investigation strategy to derive necessary model parameters considering individual functional dependencies. Its technical feasibility was successfully verified; benchmarking with various existing numerical models using datasets from three different triaxial long-term tests. The result was not entirely satisfactory; however, the number of influencing factors is small and further validation work has to be done. Overall, the KOMPASS project has made significant progress in the approaches to solving the outstanding question, building the basis for further investigations.

Friedenberg, Larissa↗
DOE OSTI2025

Thermal and mechanical performance of gypsum composites containing fly ash cenosphere encapsulated phase change materials

Utilizing phase change materials (PCMs) within construction materials improves the thermal energy storage capabilities in the built environment. Notably, integrating PCMs into drywalls presents a promising avenue to reduce building energy use. However, incorporating PCMs into drywalls poses challenges, particularly reduced mechanical properties and workability limitations as it can adversely affect the hardening and cohesiveness of gypsum composites. To address these challenges, this study explores a novel strategy to incorporate PCMs into gypsum composites through fly ash cenosphere-encapsulated PCM, namely CenoPCM, aiming to enhance the mechanical properties and thermal conductivity over existing commercial counterparts. An experimental program was conducted to study the impact of the inclusion of CenoPCM on the mechanical and thermal performance of gypsum composites, and the results were compared to those of commercially available polymerencapsulated PCM benchmark (Micronal). The findings highlighted that PCM-charged samples exhibited up to 95.90 J/g (CenoPCM) of latent heat with 70 % CenoPCM loading. The results of mechanical tests also showed that CenoPCM outperformed its polymer-encapsulated counterpart, achieving 55 % higher mechanical strength on average. Here, this improvement is attributed to the rigid shell of fly ash cenosphere (FAC) serving as a PCM carrier, providing a skeleton-like structure to gypsum composites for higher load-bearing capacity. Additionally, hotbox tests demonstrated that the CenoPCM-charged wall panels yielded a 20 % higher thermal conductivity and a 22 % increased time lag compared to Micronal PCM-charged panels, indicating its potential to shift the peak load in buildings.

Ceno PCM↗
DOE OSTI2021

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

We present a reduced scaling and exact reformulation of state specific complete active space second-order perturbation (CASPT2) analytical gradients in terms of the MP2 and Fock derivatives using the supporting subspace method. This work follows naturally from the supporting subspace formulation of the CASPT2 energy in terms of the MP2 energy using dressed orbitals and Fock builds. For a given active space configuration, the terms corresponding to the MP2-gradient can be evaluated with O(N5) operations, while the rest of the calculations can be computed with O(N3) operations using Fock builds, Fock gradients, and linear algebra. When tensor-hyper-contraction is applied simultaneously, the computational cost can be further reduced to O(N4) for a fixed active space size. The new formulation enables efficient implementation of CASPT2 analytical gradients by leveraging the existing graphical processing unit (GPU)-based MP2 and Fock routines. We present benchmark results that demonstrate the accuracy and performance of the new method. Example applications of the new method in ab initio molecular dynamics simulation and constrained geometry optimization are given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Integral Experiment Request 523 CED-2 Report

This report documents the final design phase of the Critical Experiment Design (CED-2) conducted as part of integral experiment request (IER) 523. The purpose of IER 523 is to determine critical configurations of 35 weight percent (wt%) enriched uranium dioxide beryllium oxide (UO 2 -BeO) material driven by an annular ring of Seven Percent Critical Experiment (7uPCX) fuel rods at Sandia National Laboratories (Sandia). The experiments will provide benchmark data on water moderated, intermediately enriched UO2 systems as well as Be nuclear data. The experiment will also provide partial validation for the beryllium oxide (BeO) thermal neutron scattering law (TSL) in the thermal energy range. Experiment design concepts, neutronic analysis results, and proposed paths for continuing the CED process are presented. This report builds on the feasibility and justification of experimental need report (CED-0) and preliminary experiment design report (CED-1) completed in December 2021 and September 2023, respectively [1, 2].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗