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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Control Strategies and Validation in the Hybrid Optimization and Performance Platform (HOPP)

The Hybrid Optimization and Performance Platform (HOPP) is a tool that simulates hybrid power plants in various configurations, and also calculates the financial feasibility of these plants. This report outlines an overview of HOPP and the energy storage dispatch strategies available. It then presents three case studies which demonstrate different applications of HOPP. The first case looks at the profitability of hybrid power plants in different locations in the USA. The second case examines the availability of hybrid power plants to provide energy reliability services. The third case presents a plant that produces both hydrogen and electricity, and demonstrates a dispatch strategy that chooses the most profitable energy vector based on price signals. The next section shows the validation of HOPP on operational data, using data from both unit-scale and utility-scale power plants. This validation process demonstrated that HOPP can simulate the power output of both wind and solar PV plants at both scales with comparable fidelity to an existing commercial software tool. Finally, HOPP is applied in a field test which applies an optimal dispatch strategy to a physical battery in a unit-scale hybrid plant at NREL. HOPP's optimal dispatch strategy, applied in a real-world setting, improved this hybrid plant's ability to meet a load signal while minimizing operational costs.

14 SOLAR ENERGY↗
DOE OSTI2022

Designing Harvesting and Hauling Cost Models for Energy Cane Production for Biorefineries

The harvesting and hauling operations of bioenergy feedstock is an important area in biofuel production. Production costs can be minimized by maintaining optimal machinery units for these operations. The objective of this study is to design an optimal harvesting unit for bioenergy refinery and estimate harvesting and hauling costs of energy cane. A biorefinery with the annual capacity of processing twenty-five million imp. gallons of ethanol were considered. Given the efficiency of harvesting, a two-row soldier system was considered. Considering the year-round supply of energy cane to the refinery, the optimal machinery unit was designed, and the combined operation costs were derived. The average estimated ownership, repair, labor and fuel and lubricant costs of biomass harvest unit were calculated to be $\$$0.50, $\$$0.54, $\$$1.78 and $\$$1.51/mt, respectively. The costs distribution generated showed harvesting and hauling costs could range between $\$$5.47–$\$$9.23/mt of energy cane. The methodology and the research output will provide guidelines for investors in designing harvesting and hauling units and estimating costs for different scales of operation.

09 BIOMASS FUELS↗
NASA NTRS1981

Determining the electron energy distribution near the plasma potential in the earth's ionosphere

A determination of the plasma potential using an electrostatic analyzer is described in which the potential difference between the instrument slit system and surrounding plasma is minimized. Data obtained from rocket-borne instrumentation demonstrate the viability of this technique for electron fluxes between thermal energies (about 0.5 V) and suprathermal energies (many volts).

Sharp, W. E.↗
DOE OSTI2024

GENESIS: Gamma Energy Neutron Energy Spectrometer for Inelastic Scattering

Improved neutron inelastic scattering cross section data are needed to inform integral benchmark studies and advance applications in a wide variety of areas including nuclear energy, stockpile stewardship, nonproliferation, and space exploration. Neutron inelastic scattering also serves as a non-selective probe of low-lying nuclear structure. To help meet these needs, the Gamma Energy Neutron Energy Spectrometer for Inelastic Scattering (GENESIS) was constructed at the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory. This array couples high-resolution γ-ray detectors and fast neutron detectors to achieve single and coincident n/γ detection over a broad energy range. The current configuration of the array includes 26 organic liquid scintillators and four high-purity germanium detectors (two single-crystal and two four-crystal CLOVER detectors with two-fold segmentation). The array was constructed with minimal supporting material and designed to cover a wide range of secondary particle angles and energies with limited inter-element scattering. Data acquisition is accomplished using Mesytec MDPP-16 multi-channel high-resolution digital pulse processing modules. The array characteristics, including γ-ray and neutron energy resolution, timing resolution, and detection efficiency were measured and used to validate a Geant4 model of the array. Furthermore, the primary sources of neutron background and the uncertainties in the determination of incident and secondary neutron energy were assessed. GENESIS provides a new capability to address nuclear data needs and facilitates the advancement of a wide range of nuclear applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Design of Sodium Chalcohalide Solid Electrolytes with Mixed Anions for All‐Solid‐State Sodium‐Ion Batteries

Solid-state sodium-ion batteries (SSNIBs) have emerged as a promising alternative to lithium-ion systems for grid-scale energy storage, owing to sodium's abundance and the improved safety of solid-state designs. Among various solid-state electrolytes (SSEs), halide-based Na + SSEs offer high electrochemical stability but are limited by low ionic conductivity and poor thermal stability. Herein, a novel class of sodium hafnium chalcohalide SSEs is reported with a dual-anion (S 2− /Cl − ) framework, with a high ionic conductivity of 4.5 × 10 −4 S cm −1 . The incorporation of sulfur enhances Na⁺ mobility by reducing the migration barrier through increased anion polarizability and expanded diffusion pathways. Additionally, S 2− contributes to stronger interatomic bonding, leading to higher cohesive energy density, improved thermal stability, and mechanical robustness. These SSEs exhibit minimal sulfur oxidation and excellent chemical/electrochemical interface stability with different cathode materials, such as O3-layered NaNi 1/3 Fe 1/3 Mn 1/3 O 2 , P2/O3 layered Na 0.85 Mn 0.5 Ni 0.4 Fe 0.1 O 2 , and Na 3 V 2 (PO 4 ) 3 cathodes. As a result, SSNIBs with P2/O3 layered Na 0.85 Mn 0.5 Ni 0.4 Fe 0.1 O 2 employing the sodium hafnium chalcohalide SSEs demonstrate outstanding cycling performance, achieving a capacity retention of 88.5% after 200 cycles at 0.1 C. This study establishes a new design strategy for high-performance SSEs, demonstrating that mixed-anion frameworks offer a viable route to overcome the intrinsic limitations of single-anion electrolytes in next-generation SSNIBs.

DFT calculation↗
DOE OSTI2021

Massless charged particles tunneling radiation from a RN-dS horizon and the linear and quadratic GUP

Highlights: • Generalized Uncertainty Principle (GUP). • Reissner–Nordstrom de Sitter (RNdS) spacetime. • Massless charged particles. • Tunneling through cosmological horizon. • Tunneling of spin fields. In this paper, we investigate the massless Reissner–Nordstrom de Sitter metric in the context of minimal length scenarios. We prove not only the confinement of the energy density of massless charged particles, both fermions and bosons, but also their ability to tunnel through the cosmological horizon. These massless particles might be interacting with Dirac sea and in this case they will appear outside the cosmological horizon in the context of dS/CFT holography. This result may formulate a fundamental reason for the expansion of the Dirac sea. Therefore, a spacetime Big Crunch may occur.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Microstructure-sensitive modeling of high temperature creep in grade-91 alloy

Predicting the effects of microstructure on high-temperature creep responses of steel components is critical to minimize the risks of failure and maximize economic viability in the energy sector. In this research, a recently developed advanced mechanistic constitutive model is employed to study the effect of microstructure on the creep responses and to rationalize experimentally reported variability in the performances of grade-91 alloy. Hundreds of experimental creep tests from the literature are used to assess the predictability of the model. The model proposed is shown to accurately predict the steady-state creep rates and also the less commonly considered, yet important, primary-to-secondary transients for a wide range of creep conditions. Further, the model is capable of extrapolating the creep response of grade 91 alloy even outside of the calibration regime. Using this model, the roles of initial microstructure described in terms of grain size, dislocation density, and precipitate content, on the creep responses are investigated. The effect of initial microstructure on the steady-state creep rates and creep-strain is found to vary with stress and temperature. Grain size plays a significant role in the low-stress creep, where the diffusional creep is dominant. On the other hand, the effects of dislocation densities and precipitate content are significant in the dislocation-plasticity-dominated high-stress and temperature regimes. Furthermore, by comparing model predictions against a large experimental creep database, it is found that variability in the creep responses can be rationalized on the basis of differences in the initial microstructure. Overall, this work provides a robust pathway for microstructure-aware engineering design, verification, and validation of metallic components for energy applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phase-field modeling of dislocation–interstitial interactions

The mechanical behavior of body-centered cubic (BCC) materials can be dramatically affected by the presence of interstitial solute atoms. Here we present a new phase-field dislocation dynamics formulation to include the diffusion of interstitials. Short-range interactions are accounted for by a concentration-dependent lattice energy, and long-range interactions are accounted for by modifications to the elastic energy. The interstitial diffusion law introduces gradients that require methods for minimizing Gibbs oscillations, which is done via a modified Green’s function. The formulation is general to any solute-solvent system and is applied here to Nb-O as a model system, whose interstitial parameters are obtained from ab initio calculations. The effect of O on the core structures of Nb edge and screw dislocations is calculated. The diffusion of O to form interstitial atmospheres around dislocation cores is simulated, as well as the critical stresses required for dislocations to break away or cross slip from these atmospheres. Future applications of the method to simulate complex interstitial embrittlement mechanisms are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermal model to quantify the impact of sub-bandgap reflectance on operating temperature of fielded PV modules

Minimizing module heating is an effective way to increase the lifetime energy output of photovoltaic systems. Maximizing the reflection of light that is unusable for energy conversion is one of the most promising ways to reduce the operating temperature of fielded modules. We derive a model based on a steady-state energy balance to quantify the temperature benefit of cell or module optical modifications aimed at improving reflection of light with photon energies below the photovoltaic cell bandgap energy. This more detailed model is then simplified so that, from outdoor measured data, temperature differences arising from reflectance can be isolated from those arising from irradiance, wind speed, and module standard-test-condition efficiency.

14 SOLAR ENERGY↗
DOE OSTI2025

Strained-Induced Morphological Reconstruction of RuO 2 (110) Thin-Film Electrocatalysts

Strain is a widely used strategy for electrocatalyst engineering. Overstraining, however, can lead to unintentional materials transformation. We investigate the impact of strain on the surface morphology of a rutile RuO 2 (110) film grown on a symmetry-matching rutile TiO 2 (110) substrate. When the film thickness exceeds 9 nm, the RuO 2 surface relaxes by forming step edges that expose the {011} plane. Density functional theory (DFT) calculation shows that the (011) facet is among the lower energy surfaces of rutile RuO 2 , suggesting that this formation incurs minimal energetic penalties. In situ atomic force microscopy (AFM) shows that the film maintains the (110) structure of the terrace during electrochemistry. Inductively coupled plasma–mass spectrometry (ICP-MS) further reveals the insensitivity of the Ru dissolution to strain. Here, our findings show a strain-relieving pathway via surface reconstruction in RuO 2 (110) and provide an example of a strain-relieving mechanism that does not affect dissolution.

Evolution reactions↗
DOE OSTI2025

Insights into oxygen diffusion in rare earth disilicate environmental barrier coatings

Environmental barrier coatings (EBC) are crucial for the use of SiC-based ceramic matrix composites in high-temperature combustion environments, yet knowledge of oxygen diffusion in these coatings is limited. This study investigates oxygen diffusion dynamics in the β-RE 2 Si 2 O 7 system to minimize oxygen penetration in rare earth disilicates. We analyze defect formation energy under varying oxygen conditions, identifying key diffusion mechanisms. In oxygen-rich environments, the most favorable neutral interstitial oxygen diffuses along the [110] direction. In oxygen-poor conditions, neutral oxygen vacancies rotate around Y and Si atoms, exhibiting a diffusivity of 6.59×10 −22 m 2 /s at 1500 K for β-Yb 2 Si 2 O 7 . Under intermediate oxygen levels, charged interstitial oxygen diffuses via concerted interstitialcy along the [001] direction with a diffusivity of 6.21×10 −17 m 2 /s. Additionally, alloying rare earth Y with Er and Yb increases diffusion barriers, contributing to improved EBC performance in extreme environments. The insights gained provides valuable guidance for designing robust coatings tailored to withstand extreme operational environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Conceptual Fuel Element Design Candidates for Conversion of High Flux Isotope Reactor with Low-Enriched Uranium Silicide Dispersion Fuel

Engineering design studies are underway to assess the feasibility of converting the High Flux Isotope Reactor (HFIR) to operate with low-enriched uranium (LEU) silicide dispersion (U3Si2-Al) fuel. These studies are supported by the U.S. Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. A systematic approach employing neutronic and thermal-hydraulic analyses have been performed with the ORNL Shift and HFIR Steady State Heat Transfer Code tools, respectively, to predict reactor performance and thermal safety margins for proposed LEU3Si2-Al fuel designs. The design process was initiated by generating an optimized design with fabrication features identified from previous studies that result in excellent performance and safety metrics. The approach continued by substituting a single fabrication feature anticipated to be difficult to manufacture with another feature expected to perform an analogous function to that of the removed feature. Four conceptual fuel element design candidates, with various fabrication features, for conversion of HFIR with 4.8 gU/cm3 LEU3Si2-Al fuel have been generated and shown to meet pre-defined performance and safety metrics. Results to date indicate that HFIR could convert with the subject fuel system and meet performance and safety requirements if, among other considerations, fabrication of the specific design features are demonstrated and qualification of the fuel is complete under HFIR-specific conditions.

Chandler, David↗
DOE OSTI2020

Accelerating the convergence of auxiliary-field quantum Monte Carlo in solids with optimized Gaussian basis sets

We investigate the use of optimized correlation-consistent Gaussian basis sets for the study of insulating solids with auxiliary-field quantum Monte Carlo (AFQMC). The exponents of the basis set are optimized through the minimization of the second-order Møller–Plesset perturbation theory (MP2) energy in a small unit cell of the solid. We compare against other alternative basis sets proposed in the literature, namely, calculations in the Kohn–Sham basis and in the natural orbitals of an MP2 calculation. We find that our optimized basis sets accelerate the convergence of the AFQMC correlation energy compared to a Kohn–Sham basis and offer similar convergence to MP2 natural orbitals at a fraction of the cost needed to generate them. We also suggest the use of an improved, method independent, MP2-based basis set correction that significantly reduces the required basis set sizes needed to converge the correlation energy. With these developments, we study the relative performance of these basis sets in LiH, Si, and MgO and determine that our optimized basis sets yield the most consistent results as a function of volume. Using these optimized basis sets, we systematically converge the AFQMC calculations to the complete basis set and thermodynamic limit and find excellent agreement with experiment for the systems studied. Although we focus on AFQMC, our basis set generation procedure is independent of the subsequent correlated wavefunction method used.

Morales, Miguel A. (ORCID:0000000263893067)↗
DOE OSTI2020

Irradiation Demonstration Element Design Parameters for MURR LEU U-Mo Fuel Conversion

This report contains the results of reactor design and performance calculations for conversion of the University of Missouri Research Reactor (MURR ® ) from the use of highly-enriched uranium (HEU) fuel to the use of low-enriched uranium (LEU) fuel. The analyses were performed by staff members of the U.S. Department of Energy National Nuclear Security Administration (NNSA) Office of Material Management and Minimization (M3) Reactor Conversion Program at the Argonne National Laboratory and the MURR Facility.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Effect of Lateral Conduction in a Rectangular Fuel Plate and Optimum Stripe Widths for the OPAL Reactor

The impetus for this work is the Proliferation Resistance Optimization (PRO-X) program, which was created by the National Nuclear Security Administration (NNSA) of the US Department of Energy (DOE) to provide a framework for developing reactor designs that minimize the production of special nuclear materials while maximizing performance for peaceful uses. The Argentine company INVAP and Argonne National Laboratory collaborated to share knowledge and expertise regarding the thermal analysis of research reactors. Working together, they designed a series of test problems based on the Open Pool Australian Light Water (OPAL) reactor, whose fuel is in the form of flat plates cooled by water flowing through narrow rectangular channels. ANL used their PLTEMP/ANL code. INVAP used their TERMIC code (and its new multi-plate version, TERMIC-MP). Then, INVAP and ANL compared the two sets of results. 1-D models were used during the collaboration since for research reactor analysis, largely 1-D thermal-hydraulics models are commonly used because they are simple to apply and technically defendable. The collaboration between the two organizations aims for improvements in thermal-hydraulic models. Improvements to methods and models can reduce modeling uncertainties and excessive conservatism, allowing greater reactor performance without reducing predicted safety margins. Therefore, these improvements potentially expand the design space, making additional designs feasible, which, in turn, may achieve better fuel utilization and proliferation resistance in the designs. This report provides justification for the lateral node size (stripe width) chosen for the 1-D computer models during the collaboration. The lateral heat conduction in OPAL fuel plates is evaluated using the two-dimensional conduction capability of PLTEMP/ANL to determine a representative hot-stripe width that can be conservatively used for one-dimensional steady-state thermal-hydraulic analysis. Basically, a representative hot-stripe width needs to be selected so that the actual heat flux averaged over this stripe width is greater than or equal to the maximum heat flux obtained by the two-dimensional analysis. Detailed results in this report show that a hot-stripe width of 8.125 mm can be conservatively used for the one-dimensional thermal-hydraulics analysis of all plates. Therefore, eight equal stripes (8.125 mm each) are recommended to be modeled in the MCNP and PLTEMP/ANL full core models of the OPAL reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Synergistic Thermo-Microbial-Electrochemical (T-MEC) Approach for Drop-In Fuel Production from Wet Waste

This project successfully developed and demonstrated the synergistic thermo-microbial-electrochemical (T-MEC) process, converting food waste into sustainable biofuels while achieving self-sustaining wastewater treatment and hydrogen production. By integrating hydrothermal liquefaction (HTL) and microbial electrolysis cells (MECs), the project advanced waste-to-fuel technology and expanded the understanding of sustainable waste valorization. It established a scalable framework for achieving high carbon efficiency, effective pollutant removal, and energy recovery, showcasing the potential of combining biological, thermal, and electrochemical systems to optimize resource recovery and reduce environmental impacts. The project demonstrated the technical effectiveness of the T-MEC process, achieving over 50% improvement in carbon efficiency and reducing waste processing costs by more than 25% compared to anaerobic digestion (AD). The HTL pilot reactor processed food waste at 90 kg/h, producing up to 200 L/day of biocrude oil with high conversion efficiency. A critical desalting step in pretreatment prevented catalyst fouling, enabling efficient hydrotreating with 100% deoxygenation and denitrogenation and sulfur reduction to <15 ppm. This positioned the kerosene fraction as a strong candidate for sustainable aviation fuel (SAF). The MECs achieved rapid startup, 86.4% COD removal, and hydrogen production rates of 1.8 L H 2 /L cat /day, among the highest recorded for pilot-scale systems. The integrated process achieved 65% carbon efficiency to biocrude and 58% to finished fuels, outperforming AD's 41% and 33% efficiencies for biogas and natural gas vehicle fuels. System analysis highlighted economic potential, with minimum fuel selling prices (MFSP) decreasing from $\$$25/GGE at 5 tpd to $\$$10/GGE at 500 tpd due to economies of scale. Future work will focus on reducing MEC material and membrane costs, enhancing performance through higher current densities, and creating tailored operational strategies for diverse feedstocks. Optimization of the integrated system will improve scalability and feasibility, positioning the T-MEC process as a competitive solution for converting wet waste into sustainable fuels and clean water. Beyond its technical and economic achievements, the project offers significant public benefits. The T-MEC process provides a sustainable alternative to landfilling and incineration, reducing greenhouse gas emissions and conserving resources. Converting waste into SAF and renewable fuels supports decarbonization in the transportation sector, advancing energy independence and reducing reliance on fossil fuels. Additionally, the process minimizes environmental pollutants, transforming them into valuable products like hydrogen and fuels, contributing to a cleaner and more sustainable future.

09 BIOMASS FUELS↗
DOE OSTI2025

COMSOL Results for the Nominal Steady-State Operation of the Proposed 95-MW LEU Silicide Core for HFIR Conversion

Engineering design studies are being performed to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel at Oak Ridge National Laboratory. This activity is sponsored by the Office of Reactor Conversion and Uranium Supply (ORCUS) under the auspices of the US Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. HFIR is a very high flux, pressurized, light water–cooled and moderated, flux trap–type research reactor with a core made of involute shaped U 3 O 8 /Al cermet fuel plates and coolant channels. HFIR currently operates at a thermal power of 85 MW and supports key national and international missions in neutron scattering, isotope production, materials/fuels irradiation, neutron activation analysis, gamma irradiation, and neutrino research. Advanced multiphysics computational fluid dynamics models have been developed in the COMSOL Multiphysics software to simulate the steady-state operating conditions for the proposed low-and high-density LEU U 3 Si 2 -Al (uranium silicide dispersion) fuel designs. The COMSOL models for HFIR inner and outer fuel element models incorporate various essential inputs and physics such as spatially dependent nuclear heat deposition, multilayer heat conduction, conjugate heat transfer, turbulent flows (using Reynolds-averaged Navier Stokes turbulence models), structural mechanics (thermal–structural interactions and fuel swelling), and oxide layer build-up. This report presents the best-estimate thermal hydraulics results for the low- and high-density optimized silicide LEU core designs at 95 MW steady-state nominal operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗