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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

EVALUATION OF HRA METHODOLOGIES FOR APPLICATION IN SDP WORK

This study critically evaluates human reliability analysis (HRA) methodologies applicable to regulatory probabilistic safety assessment (PSA) model, with a particular focus on their role in supporting the significance determination process (SDP) in nuclear safety assessment. Firstly, three widely utilized HRA methods – IDHEAS-ECA, SPAR-H, and ASEP/THERP – were qualitatively and quantitatively assessed. Qualitative assessments were conducted using attributes from the NEA/CSNI/R(2015)1 report, while quantitative evaluations employed regression and correlation analyses to compare predicted human error probabilities (HEPs) against empirical data. Results reveal distinct strengths, for example, IDHEAS-ECA’s robust predictive accuracy and K-HRA’s alignment with operational practices. In addition, dependency analysis and recovery analysis were critically evaluated. For dependency analysis, the methods’ handling of inter-task dependencies and their impact on HEPs were examined, while recovery analysis highlighted strategies for mitigating failure events. Furthermore, strategies were proposed to evaluate performance-shaping factors under conditions of reduced human performance, such as stress, fatigue, or cognitive overload, addressing specific challenges faced in SDP evaluations. Human errors from KINS’s operational performance information system event reports were evaluated as a case study. This study identifies gaps and provides actionable insights to ensure their validity and applicability in SDP HRA applications. This paper is a part of research conducted by KINS, and it should be noted that this result does not represent the regulatory position of KINS.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Nitrogen Vacancy Center in Diamond for the Stress and Field Sensing Applications

The nitrogen-vacancy (NV) center in a nanodiamond (ND) crystal is a promising material for quantum information processing, sensing, and computing applications. It is one of the best candidate materials for quantum sensing and metrology expected to work at elevated temperatures and pressures conditions. We computationally show the effect of strain on the defect band edges and band gaps in the NV center diamond. A low energy Hamiltonian is developed for the ±1 spin manifold at the ground state. We show the quantum sensing device is a few orders of magnitude superior in sensing than the traditional optical sensing devices. We also discuss experimental results from the optically detected magnetic resonance (ODMR) and the spin relaxometry for the field sensing applications. The presentation concludes by providing a model for free spins detection of the rare earth ions.

field sensing applications↗
DOE OSTI2025

Results of a Geant4 benchmarking study for bio‐medical applications, performed with the G4‐Med system

Geant4, a Monte Carlo Simulation Toolkit extensively used in bio-medical physics, is in continuous evolution to include newest research findings to improve its accuracy and to respond to the evolving needs of a very diverse user community. In 2014, the G4-Med benchmarking system was born from the effort of the Geant4 Medical Simulation Benchmarking Group, to benchmark and monitor the evolution of Geant4 for medical physics applications. The G4-Med system was first described in our Medical Physics Special Report published in 2021. Results of the tests were reported for Geant4 10.5. Purpose In this work, we describe the evolution of the G4-Med benchmarking system. Methods The G4-Med benchmarking suite currently includes 23 tests, which benchmark Geant4 from the calculation of basic physical quantities to the simulation of more clinically relevant set-ups. New tests concern the benchmarking of Geant4-DNA physics and chemistry components for regression testing purposes, dosimetry for brachytherapy with a 125 I source, dosimetry for external x-ray and electron FLASH radiotherapy, experimental microdosimetry for proton therapy, and in vivo PET for carbon and oxygen beams. Regression testing has been performed between Geant4 10.5 and 11.1. Finally, a simple Geant4 simulation has been developed and used to compare Geant4 EM physics constructors and physics lists in terms of execution times. Results In summary, our EM tests show that the parameters of the multiple scattering in the Geant4 EM constructor G4EmStandardPhysics_option3 in Geant4 11.1, while improving the modeling of the electron backscattering in high atomic number targets, are not adequate for dosimetry for clinical x-ray and electron beams. Therefore, these parameters have been reverted back to those of Geant4 10.5 in Geant4 11.2.1. The x-ray radiotherapy test shows significant differences in the modeling of the bremsstrahlung process, especially between G4EmPenelopePhysics and the other constructors under study (G4EmLivermorePhysics, G4EmStandardPhysics_option3, and G4EmStandardPhysics_option4). These differences will be studied in an in-depth investigation within our Group. Improvement in Geant4 11.1 has been observed for the modeling of the proton and carbon ion Bragg peak with energies of clinical interest, thanks to the adoption of ICRU90 to calculate the low energy proton stopping powers in water and of the Linhard–Sorensen ion model, available in Geant4 since version 11.0. Nuclear fragmentation tests of interest for carbon ion therapy show differences between Geant4 10.5 and 11.1 in terms of fragment yields. In particular, a higher production of boron fragments is observed with Geant4 11.1, leading to a better agreement with reference data for this fragment. Conclusions Based on the overall results of our tests, we recommend to use G4EmStandardPhysics_option4 as EM constructor and QGSP_BIC_HP with G4EmStandardPhysics_option4, for hadrontherapy applications. The Geant4-DNA physics lists report differences in modeling electron interactions in water, however, the tests have a pure regression testing purpose so no recommendation can be formulated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2026

Thermal property characterization of phase change materials in building applications: A systematic review of fundamentals, recent progress, and future directions

Phase change materials (PCMs) can reduce building peak loads and enable demand-responsive thermal energy storage (TES), but their deployment depends on reliable measurement and interpretation of thermal properties across laboratory, intermediate, and application scales. Here, this review systematically examines characterization methods, testing protocols, and recent advances for neat PCMs and PCM composites, emphasizing thermal conductivity, enthalpy-related properties (phase change temperature, latent heat, specific heat), and cycling stability. For thermal conductivity, we compare steady-state and transient techniques and note limitations when phase transition and contact resistance affect measurements. For enthalpy–temperature characterization, we discuss differential scanning calorimetry together with intermediate- and bulk-scale methods, including T-history, heat flow meter testing, and three-layer calorimetry (3LC), to generate application-relevant enthalpy–temperature profiles. Cycling stability is organized into four experimental families: thermoelectric–air, fully thermoelectric, water-bath, and in situ chamber approaches, with attention to separating reversible supercooling from true degradation such as phase segregation. We highlight emerging noncontact diagnostics, including infrared thermography and embedded sensing, for spatially resolved validation and multiscale interpretation. Finally, we review the growing use of AI and machine learning for property prediction, inverse characterization from experimental signals, and real-time state estimation in building-integrated TES. Key needs include harmonized protocols, interlaboratory benchmarking, uncertainty reporting, and metadata-rich datasets to accelerate reproducible PCM qualification for grid-flexible buildings.

AI↗
DOE OSTI2024

Optimization-Based Deconfliction of Distribution System Applications

Power distribution systems are transitioning towards a future with large numbers of controllable grid-edge devices and distributed generation, as well as more complex operational objectives. This evolution requires a new distribution management approach, and modular applications can play a significant role. Thus, new strategies to coordinate independent applications with diverging operational goals are necessary. In this paper, we propose a novel optimization-based deconflictor to facilitate coordination in future advanced distribution management systems.

application deconfliction, power system optimizati↗
DOE OSTI2024

Concepts for Neutrino Applications

Will neutrinos find uses outside basic science? It may be too early to say, but neutrino physicists have already imagined a variety of possibilities from the relatively modest to the more blue-sky. In this review, we survey the range of proposed applications, most involving nuclear reactors and other fission sources. We give special attention to the most recent proposals, including verifying submarine reactor integrity, safeguarding advanced nuclear power plants, and monitoring spent nuclear fuel. All of these concepts take advantage of the fact that neutrinos pass through barriers other signals cannot penetrate. That same fact creates the central challenge for neutrino applications: the size and complexity of detectors needed to collect a signal. Although the weakly interacting nature of neutrinos makes them fundamentally difficult to use, developments in detector technology are making some ideas more feasible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Open-source library for performance-portable neutrino reaction rates: Application to neutron star mergers

A realistic and detailed description of neutrinos in binary neutron star (BNS) mergers is essential to build reliable models of such systems. To this end, we present bns_nurates, a novel open-source numerical library designed for the efficient on-the-fly computation of neutrino interactions, with particular focus on regimes relevant to BNS mergers. bns_nurates targets a higher level of accuracy and realism in the implementation of commonly employed reactions by accounting for relevant microphysics effects on the interactions, such as weak magnetism and mean field effects. It also includes the contributions of inelastic neutrino scattering off electrons and positrons and (inverse) nucleon decays. Finally, it offers a way to reconstruct the neutrino distribution function in the framework of moment-based transport schemes. As a first application, we compute both energy-dependent and energy-integrated neutrino emissivities and opacities for conditions extracted from a BNS merger simulation with m1 transport scheme. We find some qualitative differences in the results when considering the impact of the additional relevant reactions and of microphysics effects. For example, neutrino-electron/positron scattering reactions are important for the energy exchange of heavy-type neutrinos as they do not undergo semileptonic charged-current processes, when μ± are not accounted for. Moreover, weak magnetism and mean field effects can significantly modify the contribution of β processes for electron-type (anti)neutrinos, increasing at the same time the importance of (inverse) neutron decays. Here, the improved treatment for the reaction rates also modifies the conditions at which neutrinos decouple from matter in the system, potentially affecting their emission spectra.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Hexagonal Boron Nitride: Physical Properties, Hydride Vapor‐Phase Epitaxy Growth of Large‐Diameter Quasi‐Bulk Wafers and Applications

Hexagonal boron nitride ( h ‐BN), with its ultrawide bandgap and 2D structure, holds an immense promise for advanced semiconductor applications. Scaling bulk crystals to large‐diameter wafers, crucial for complex device fabrication, remains a challenge with high temperature, high pressure, and metal flux solution methods. To address this, recent efforts have focused on hydride vapor‐phase epitaxy (HVPE) for producing large diameter thick h ‐BN quasi‐bulk wafers, reaching hundreds of micrometers. These HVPE‐grown quasi‐bulk crystals exhibit excellent c ‐axis long‐range order. Notably, the in‐plane mobility‐lifetime products for both electrons and holes surpass 10 −4 cm 2 V −1 , which are two orders of magnitude greater than the out‐of‐plane (vertical) values, highlighting the potential for high‐performance devices leveraging superior lateral transport. Lateral detectors fabricated from 100 μm thick B‐10 enriched h‐ BN wafers have achieved a record 60% thermal neutron detection efficiency. Based on its physical properties, h‐ BN appears to be an outstanding material of choice for light‐triggered electronic power switches capable of supporting high ‐ voltage and high ‐ power operations. These recent advancements in large‐diameter h ‐BN quasi‐bulk crystal growth, enabled by HVPE, pave the way for applications spanning deep UV photonics, high‐power electronics, high‐efficiency neutron detection, and quantum information technologies, establishing h ‐BN as both a versatile active semiconductor and an ideal substrate.

Jiang, Hongxing [Department of Electrical and Comp↗
DOE OSTI2025

Power-Capping Metric Evaluation for Improving Energy Efficiency in HPC Applications

With high-performance computing systems now running at exascale, optimizing power-scaling management and resource utilization has become more critical than ever. This paper explores runtime power-capping optimizations that leverage integrated CPU-GPU power management on architectures like the NVIDIA GH200 superchip. We evaluate energy-performance metrics that account for simultaneous CPU and GPU power-capping effects by using two complementary approaches: speedup-energy-delay and a Euclidean distance-based multi-objective optimization method. By targeting a mostly compute-bound exascale science application, the Locally Self-Consistent Multiple Scattering (LSMS), we explore challenging scenarios to identify potential opportunities for energy savings in exascale applications, and we recognize that even modest reductions in energy consumption can have significant overall impacts. Our results highlight how GPU task-specific dynamic power-cap adjustments combined with integrated CPU-GPU power steering can improve the energy utilization of certain GPU tasks, thereby laying the groundwork for future adaptive optimization strategies.

Patrou, Maria [ORNL] (ORCID:0000000339754638)↗
DOE OSTI2026

Reactive Transport Modeling with Physics-Informed Machine Learning for Critical Minerals Applications

This study presents a physics-informed neural network (PINN) framework for reactive transport modeling for simulating fast bimolecular reactions in porous media. Accurate characterization of cAhemical interactions and product formation in surface and subsurface environments is essential for advancing critical mineral extraction and related geoscience applications. The proposed methodology sequentially addresses the flow and diffusion–reaction subproblems. The flow field is computed using a mixed formulation, while the diffusion–reaction system is modeled via two uncoupled tensorial diffusion equations reformulated in terms of chemical invariants. PINNs are employed to solve the governing equations, enabling data-efficient, mesh-free prediction of chemical concentration fields. The framework is validated through a series of benchmark problems involving flow in heterogeneous porous media. Initial verification is conducted using patch tests for the flow field, followed by validation of the transport problem with emphasis on preserving non-negativity of concentrations. The complete fast bimolecular reaction scenario is then solved, yielding spatial distributions of reactants and product species. Results demonstrate that the PINNs-based approach effectively captures sharp, mixing-limited reaction fronts and dispersive mixing behavior, offering reliable predictions of reactive plume evolution. These capabilities are crucial for evaluating long-term subsurface behavior in applications such as fluid storage, energy extraction, and efficient extraction of critical minerals.

42 ENGINEERING↗
DOE OSTI2025

A review on bacteria-derived antioxidant metabolites: their production, purification, characterization, potential applications, and limitations

Abstract Antioxidants are organic molecules that scavenge reactive oxygen species (ROS) and reactive nitrogen species (RNS), thereby maintaining cellular redox balance in living organisms. The human body synthesizes endogenous antioxidants, whereas humans obtain exogenous antioxidants from other organisms such as plants, animals, fungi, and bacteria. This review primarily focuses on the antioxidant potential of natural metabolites and extracts from five major bacterial phyla, including the well-studiedActinobacteriaandCyanobacteria, as well as less-studiedBacteroides,Firmicutes, andProteobacteria.The literature survey revealed that the metabolites and the extracts with antioxidant activity can be obtained from bacterial cells and their culture supernatants. The metabolites with antioxidant activity include pigments, phycobiliproteins, polysaccharides, mycosporins-like amino acids, peptides, phenolic compounds, and alkaloids. Both metabolites and extracts demonstrate in vitro antioxidant capacity through radical-scavenging, metal-reducing, and metal-chelating activity assays. In in vivo models, they can scavenge ROS and RNS directly and/or indirectly eliminate them by enhancing the activities of antioxidant enzymes, such as catalase, superoxide dismutase, and glutathione peroxidase. Due to their antioxidant activities, they may find applications in the cosmetic industry as anti-aging agents for the skin and in medicine as drugs or supplements for combating oxidative stress-related disorders, such as neurodegenerative diseases and diabetes. The literature survey also elucidated that some metabolites and extracts with antioxidant activity also exhibited strong antimicrobial properties. Therefore, we consider that they may have future applications in the treatment of infectious diseases, the preparation of pathogen-free healthy foods, and the extension of food shelf life.

Pharmacology & Pharmacy↗
DOE OSTI2024

Light–Material Interactions Using Laser and Flash Sources for Energy Conversion and Storage Applications

Abstract This review provides a comprehensive overview of the progress in light–material interactions (LMIs), focusing on lasers and flash lights for energy conversion and storage applications. We discuss intricate LMI parameters such as light sources, interaction time, and fluence to elucidate their importance in material processing. In addition, this study covers various light-induced photothermal and photochemical processes ranging from melting, crystallization, and ablation to doping and synthesis, which are essential for developing energy materials and devices. Finally, we present extensive energy conversion and storage applications demonstrated by LMI technologies, including energy harvesters, sensors, capacitors, and batteries. Despite the several challenges associated with LMIs, such as complex mechanisms, and high-degrees of freedom, we believe that substantial contributions and potential for the commercialization of future energy systems can be achieved by advancing optical technologies through comprehensive academic research and multidisciplinary collaborations.

Materials Science↗
DOE OSTI2024

Deep Generative Models in Energy System Applications: Review, Challenges, and Future Directions

In recent years, with the advent of mature machine learning products like ChatGPT, Stable Diffusion, and Sora, the world has witnessed tremendous changes driven by the rapid development of generative artificial intelligence (GAI). Beyond applications in text, speech, image, and video creation, deep generative models (DGMs) underpinning these cutting-edge technologies have also been employed by domain researchers to address scientific and engineering challenges. This paper aims to fill a gap in the research community by providing a systematic review of how DGMs have been utilized in energy system applications. After introducing four most popular DGMs, we review and categorize 196 research articles into five focus areas: data generation, forecasting, situational awareness, modeling, and optimal decision-making. Through this classification, we uncover trends in how DGMs are employed for each type of problem, highlighting GAI techniques that contribute to breakthroughs over traditional methods. We discuss limitations in existing literature, engineering challenges, and propose future directions, all tailored to the unique nature of problems in energy system engineering. Our goal is to offer insights for energy system domain researchers, providing a comprehensive view of existing studies and potential future opportunities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Multi-stage heat pump with two-phase injection for cold climate applications implementing natural refrigerants

Heat pump adoption in cold climates is limited by various technical challenges, including heat capacity degradation, compressor deterioration, and frost accumulation on the outdoor heat exchanger. Furthermore, wide-spread adoption of heat pumps with high global warming potential presents a possible environmental concern. Thus, we present a heat pump concept termed the “saturation cycle,” which uses numerous compression stages to improve energy efficiency and injects two-phase refrigerant between compression stages to dramatically reduce compressor discharge temperatures. Given the growing interest in heat pumps, there is a need for a straightforward framework for parametric evaluation of natural refrigerants in high-efficiency heat pump cycle architectures, like the saturation cycle, in adverse climates. This work develops a thermodynamic modeling framework and focuses on the application of natural refrigerants to explore the performance trends at extremely cold climates down to −25 °C. This study shows that a two-stage saturation cycle and four-stage saturation cycle can reduce the compressor discharge superheating by up to 51–57 % or 73–80 %, respectively, depending on the refrigerant. Furthermore, at −25 °C, a two-stage R-290 saturation cycle heat pump theoretically can use 25 % less power than a single-stage heat pump or can provide up to 59 % more heating capacity when using the same compressor power as the baseline single-stage heat pump. The exergetic parametric analyses show that two-phase refrigerant injection fundamentally improves the thermodynamic performance of the heat pump, reducing overall exergy destruction by 10 % compared to a vapor-injection heat pump, compared at −25 °C. Thus, the saturation cycle is a promising heat pump cycle architecture for cold climate applications due to its superior energy savings (or capacity improvement) and substantial de-superheating capabilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Singly and doubly oxidized carbenes and their applications in catalysis

Over the last three decades, the highly tunable properties of N-heterocyclic carbenes (NHCs) and other stable singlet carbenes have led to a variety of applications. This perspective shows a novel facet of carbenes—i.e., their reductive properties—that allows them to function as catalysts in single-electron transfer (SET) reactions. The isolation and even the spectroscopic characterization of a singly oxidized carbene have yet to be done, but these species readily abstract hydrogen atoms while giving back the carbene conjugate acid, which behaves as the resting state of catalytic cycles. In sharp contrast, a doubly oxidized carbene has been isolated, and there is a strong likelihood that many other carbene dications will be isolated. Their first Lewis acidity is very high, suggesting possible applications in Lewis acid catalysis.

dication↗
DOE OSTI2024

Development of a SnO 2 -based 44 Ti/ 44 Sc generator for medical applications

Towards application of 44 Sc for diagnostic nuclear medicine, a 44 Ti/ 44 Sc generator based on an inorganic resin has been evaluated. Unlike other radionuclide generators used for medical applications, the long-term retention of the parent 44 Ti is vital due to its long half life. In this work, tin dioxide (SnO 2 ), a robust inorganic-based resin, has been synthesized and used as the stationary phase for a 44 Ti/ 44 Sc generator. The sorption behavior of 44 Ti/ 44 Sc was tested on SnO 2 with varying acids, concentrations, and times. Preliminary batch study results showed >88 % 44 Ti retention to the resin at lower acid concentrations (0.05 M HNO 3 and 0.05 M HCl). A pilot generator was evaluated for a year, demonstrating 85.3 ± 2.8 % 44 Sc elution yields and 0.71 ± 0.14 % 44 Ti breakthrough in 5 M HNO 3 . Based on capacity studies, a 7.4 MBq (200 µCi) upscaled generator system was constructed for further evaluation of the SnO 2 resin stability and the efficacy of the eluted 44 Sc for radiolabeling. 44 Sc could be regularly eluted from this generator in 5 M HNO 3 with an overall average radiochemical yield 84.7 ± 9.5 %. Post-elution processing of the 44 Sc with DGA-normal resin removed all 44 Ti present and allowed for high 44 Sc-DOTA labeling yields of 94.2 ± 0.5 %. Overall, SnO 2 has been shown to be a viable material for a 44 Ti/ 44 Sc generator.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Sandwich-structured paper composite with water and oil resistance for food packaging and tableware applications

The growing environmental challenges posed by plastic waste from disposable tableware highlight the urgent need for sustainable alternatives. Traditional plastics decompose over centuries, generating microplastics that threaten ecosystems and human health. While lignin has emerged as a promising material for plastic replacement, its inherent dark brown color and processing challenges in paper-based products have limited its application, particularly in food-contact materials. Here, to address these limitations, we have developed biodegradable sandwich-structured paper composites comprising parchment paper as surface layers and a lignin-polymer core with polyvinyl alcohol (PVA) and polylactic acid (PLA). This innovative structure eliminates the need for binders, minimizing potential food contamination, and enables direct application as packaging or molded tableware. Lignin micro- and nano-particles (LMNP) enhances durability and provides natural water and oil resistance without harmful additives, such as per- and polyfluoroalkyl substances (PFAS), while PVA and PLA improve the composite's tenacity. The resulting material, composed of 65 wt% lignin, demonstrates excellent water and oil resistance, with no penetration exceeding 1 h, and exhibits enhanced tensile strength (45 MPa), making it a viable and eco-friendly alternative for disposable tableware.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Polylactic acid (PLA)-based multifunctional and biodegradable nanocomposites and their applications

Polylactic acid (PLA)-based nanocomposites are emerging as multifunctional, biodegradable materials, offering sustainable alternatives to petroleum-based plastics. This review examines recent advancements in PLA nanocomposites, focusing on enhanced mechanical strength, thermal stability, and biodegradability achieved through nanofillers like metallic particles, carbon-based materials, and ceramics. Techniques such as in situ polymerization, melt mixing, and electrospinning enable application-specific improvements. PLA's limitations, including brittleness and low barrier properties, are addressed to support diverse applications: in packaging (e.g., extended shelf life), biomedicine (e.g., degradable implants), and electronics (e.g., flexible devices). Despite challenges with filler dispersion and thermal resistance, continued innovations expand PLA's potential across multiple industries, contributing to a sustainable, circular economy.

Biodegradable polymers↗