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At least 703 records · Page 39

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DOE OSTI2025

Metallurgical Analysis and Forward Modeling of Weld Distortion in SMR Containment Vessels

This work aimed to apply Sandia’s expertise in metallurgy and modeling to enable the use of hybrid laser arc welding for building nuclear reactor containment structures, via a collaboration with Holtec International. Experimental observations were coupled with finite element analysis to resolve microstructure development, mechanical properties, distortion, and residual stress in welds relevant to the production of the Holtec SMR-160. High residual stresses were observed in welds that were not subjected to preheat. Meanwhile, the microstructure of the welds generally exhibited a narrow heat affected zone relative to conventional arc welds. FEA appeared to be effective in simulating the thermal/mechanical conditions that occur during hybrid laser arc welding of simplified and instrumented test welds. Subsequently, FEA was used to perform sensitivity analyses for various weld geometries that would be prohibitively costly to assess with physical experiments. Insights from the study were used to inform Holtec’s welding process, and successful production welds were performed in 2025.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1995

The role of overset grids in the development of the general purpose CFD code

A discussion of the strengths and weaknesses of overset composite grid and solution technology is given, along with a sampling of current work in the area. Major trends are identified, and the observation is made that generalized and hybridized overset methods provide a natural framework for combining disparate mesh types and physics models. Because of this, the author concludes that overset methods will be the foundation for the general purpose computational fluid dynamics programs of the future.

Belk, Davy M.↗

NASA NTRS1995

Electromagnetic Components of Auroral Hiss and Lower Hybrid Waves in the Polar Magnetosphere

DE-1 has frequently observed waves in the whistler and lower hybrid frequencies range. Besides the electrostatic components, these waves also exhibit electromagnetic components. It is generally believed that these waves are excited by the electron acoustic instability and the electron-beam-driven lower hybrid instability. Because the electron acoustic and the lower hybrid waves are predominately electrostatic waves, they cannot account for the observed electromagnetic components. In this work, it is suggested that these electromagnetic components can be explained by waves that are generated near the resonance cone and that propagate away from the source. The role that these electromagnetic waves can play in particle acceleration processes at low altitude is discussed.

Wong, H. K.↗

NASA NTRS2001

Lubrication of Space Shuttle Main Engine Turbopump Bearings

The Space Shuttle has three main engines that are used for propulsion into orbit. These engines are fed propellants by four turbopumps on each engine. A main element in the turbopump is the bearings supporting the rotor that spins the turbine blades and the pump impeller. These bearings are required to spin at very high speeds, support radial and thrust loads, and have high wear resistance without the benefit of lubrication. The liquid hydrogen and oxygen propellants flow through the bearings to cool the surfaces. The volatile nature of the propellants excludes any conventional means of lubrication. Lubrication for these bearings is provided by the ball separator inside the bearing. The separator is a composite material that supplies a transfer film of lubrication to the rings and balls. New separator materials and lubrication schemes have been investigated at Marshall Space Flight Center in a bearing test rig with promising results. Hybrid bearings with silicon nitride balls have also been evaluated. The use of hybrid, silicon nitride ball bearings in conjunction -with better separator materials has shown excellent results. The work that Marshall has done is being utilized in turbopumps flying on the space shuttle fleet and will be utilized in future space travel. This result of this work is valuable for all aerospace and commercial applications where high-speed bearings are used.

Gibson, Howard↗

NASA NTRS2007

Advances in Black-Hole Mergers: Spins and Unequal Masses

The last two years have seen incredible development in numerical relativity: from fractions of an orbit, evolutions of an equal-mass binary have reached multiple orbits, and convergent gravitational waveforms have been produced from several research groups and numerical codes. We are now able to move our attention from pure numerics to astrophysics, and address scenarios relevant to current and future gravitational-wave detectors.Over the last 12 months at NASA Goddard, we have extended the accuracy of our Hahn-Dol code, and used it to move toward these goals. We have achieved high-accuracy simulations of black-hole binaries of low initial eccentricity, with enough orbits of inspiral before merger to allow us to produce hybrid waveforms that reflect accurately the entire lifetime of the BH binary. We are extending this work, looking at the effects of unequal masses and spins.

Kelly, Bernard↗

NASA NTRS2010

Robotic Planetary Drill Tests

Several proposed or planned planetary science missions to Mars and other Solar System bodies over the next decade require subsurface access by drilling. This paper discusses the problems of remote robotic drilling, an automation and control architecture based loosely on observed human behaviors in drilling on Earth, and an overview of robotic drilling field test results using this architecture since 2005. Both rotary-drag and rotary-percussive drills are targeted. A hybrid diagnostic approach incorporates heuristics, model-based reasoning and vibration monitoring with neural nets. Ongoing work leads to flight-ready drilling software.

Glass, Brian J.↗

NASA NTRS2016

Agile Multi-Scale Decompositions for Automatic Image Registration

In recent works, the first and third authors developed an automatic image registration algorithm based on a multiscale hybrid image decomposition with anisotropic shearlets and isotropic wavelets. This prototype showed strong performance, improving robustness over registration with wavelets alone. However, this method imposed a strict hierarchy on the order in which shearlet and wavelet features were used in the registration process, and also involved an unintegrated mixture of MATLAB and C code. In this paper, we introduce a more agile model for generating features, in which a flexible and user-guided mix of shearlet and wavelet features are computed. Compared to the previous prototype, this method introduces a flexibility to the order in which shearlet and wavelet features are used in the registration process. Moreover, the present algorithm is now fully coded in C, making it more efficient and portable than the MATLAB and C prototype. We demonstrate the versatility and computational efficiency of this approach by performing registration experiments with the fully-integrated C algorithm. In particular, meaningful timing studies can now be performed, to give a concrete analysis of the computational costs of the flexible feature extraction. Examples of synthetically warped and real multi-modal images are analyzed.

Science Data Processing↗

NASA NTRS2016

Agile Multi-Scale Decompositions for Automatic Image Registration

Science Data Processing↗

DOE OSTI2024

Influence of printing parameters on the mechanical behavior of 3D-printed SS316L parts manufactured using laser hot wire directed energy deposition

Hybrid manufacturing combines the simultaneous benefits of additive manufacturing (complex geometries, part consolidation, and mass customization) with the advantages of subtractive manufacturing (superior surface finish and enhanced dimensional accuracies) by integrating a suite of complementary traditional processes into a base platform of additive manufacturing. The use of hybrid technology has grown in recent years given its capabilities on repairing metallic structures, producing parts with conformal cooling features, and manufacturing functionally graded products. These kinds of capabilities are of great interest to the medical implant, energy, automotive, maritime, and aerospace industry sectors, among many other fields. This work investigated the mechanical properties of stainless steel (SS) 316L as a function of different tool paths strategies using an integrated 5-axis CNC hybrid Mazak system with a laser hot wire deposition system (LHWDS). This study includes the evaluation of different printing parameters and their impact on the quality of the printed bead as well as the incorporation of a structure–property material relationship based on the mechanical performance of the manufactured coupons.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Coupling of Adhesion and Anti-Freezing Properties in Hydrogel Electrolytes for Low-Temperature Aqueous-Based Hybrid Capacitors

Solid-state zinc-ion capacitors are emerging as promising candidates for large-scale energy storage owing to improved safety, mechanical and thermal stability and easy-to-direct stacking. Hydrogel electrolytes are appealing solid-state electrolytes because of eco-friendliness, high conductivity and intrinsic flexibility. However, the electrolyte/electrode interfacial contact and anti-freezing properties of current hydrogel electrolytes are still challenging for practical applications of zinc-ion capacitors. Here, we report a class of hydrogel electrolytes that couple high interfacial adhesion and anti-freezing performance. The synergy of tough hydrogel matrix and chemical anchorage enables a well-adhered interface between hydrogel electrolyte and electrode. Meanwhile, the cooperative solvation of ZnCl 2 and LiCl hybrid salts renders the hydrogel electrolyte high ionic conductivity and mechanical elasticity simultaneously at low temperatures. More significantly, the Zn||carbon nanotubes hybrid capacitor based on this hydrogel electrolyte exhibits low-temperature capacitive performance, delivering high-energy density of 39 Wh kg –1 at –60 °C with capacity retention of 98.7% over 10,000 cycles. With the benefits of the well-adhered electrolyte/electrode interface and the anti-freezing hydrogel electrolyte, the Zn/Li hybrid capacitor is able to accommodate dynamic deformations and function well under 1000 tension cycles even at –60 °C. This work provides a powerful strategy for enabling stable operation of low-temperature zinc-ion capacitors.

25 ENERGY STORAGE↗

DOE OSTI2022

Modeling mesoscale fission gas behavior in UO2 by directly coupling the phase field method to spatially resolved cluster dynamics

Abstract Fission gas release within uranium dioxide nuclear fuel occurs as gas atoms diffuse through grains and arrive at grain boundary (GB) bubbles; these GB bubbles grow and interconnect with grain edge bubbles; and grain edge tunnels grow and connect to free surfaces. In this study, a hybrid multi-scale/multi-physics simulation approach is presented to investigate these mechanisms of fission gas release at the mesoscale. In this approach, fission gas production, diffusion, clustering to form intragranular bubbles, and re-solution within grains are included using spatially resolved cluster dynamics in the Xolotl code. GB migration and intergranular bubble growth and coalescence are included using the phase field method in the MARMOT code. This hybrid model couples Xolotl to MARMOT using the MultiApp and Transfer systems in the MOOSE framework, with Xolotl passing the arrival rate of gas atoms at GBs and intergranular bubble surfaces to MARMOT and MARMOT passing evolved GBs and bubble surface positions to Xolotl. The coupled approach performs well on the two-dimensional simulations performed in this work, producing similar results to the standard phase field model when Xolotl does not include fission gas clustering or re-solution. The hybrid model performs well computationally, with a negligible cost of coupling Xolotl and MARMOT and good parallel scalability. The hybrid model predicts that intragranular fission gas clustering and bubble formation results in up to 70% of the fission gas being trapped within grains, causing the increase in the intergranular bubble fraction to slow by a factor of six. Re-solution has a small impact on the fission gas behavior at 1800 K but it has a much larger impact at 1000 K, resulting in a twenty-times increase in the concentration of single gas atoms within grains. Due to the low diffusion rate, this increase in mobile gas atoms only results in a small acceleration in the growth of the intergranular bubble fraction. Finally, the hybrid model accounts for migrating GBs sweeping up gas atoms. This results in faster intergranular bubble growth with smaller initial grain sizes, since the additional GB migration results in more immobile gas clusters reaching GBs.

Kim, Dong-Uk↗

DOE OSTI2022

A weighted state redistribution algorithm for embedded boundary grids

State redistribution is an algorithm that stabilizes cut cells for embedded boundary grid methods. This work extends the earlier algorithm in several important ways. First, state redistribution is extended to three spatial dimensions. Second, we discuss several algorithmic changes and improvements motivated by the more complicated cut cell geometries that can occur in higher dimensions. In particular, we introduce a weighted version with less dissipation in an easily generalizable framework. Third, we demonstrate that state redistribution can also stabilize a solution update that includes both advective and diffusive contributions. Notably, the stabilization algorithm is shown to be effective for incompressible as well as compressible reacting flows. Finally, we discuss the implementation of the algorithm for several exascale-ready simulation codes based on AMReX, demonstrating ease of use in combination with domain decomposition, hybrid parallelism and complex physics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Study of VUV radiation of hybrid and standard X-pinches on KING electric discharge facility

The radiative characteristics of standard and hybrid X-pinches are studied in VUV range on the small-size KING electric discharge facility (200 kA, 190 ns, 45 kV) for the same initial conditions. In this work, studies were performed for different X-pinch materials. A comparative analysis of the VUV spectra was performed and the output energy of soft x-rays and VUV radiation was measured for standard and hybrid X-pinches.

bright spot↗

DOE OSTI2025

CpFe(CO) 2 Radical Generated from Dinuclear [CpFe(CO) 2 ] 2 and Mononuclear (Cp)(CO) 2 Fe(H): Density Functional Theory Is Accurate for One, But Not Both

Density functional theory (DFT) methods remain the most practical approach to calculating properties and reaction mechanisms of transition metal complexes. While the accuracy of DFT methods has been evaluated for some properties of mononuclear organometallic complexes there has been a general lack of evaluation for dinuclear organometallic complexes, in particular bonding changes related to reaction mechanisms. Here, this work evaluated DFT and coupled cluster methods for the accuracy of calculating the CpFe(CO) 2 radical (Fp•) generated from dinuclear [CpFe(CO) 2 ] 2 (Fp 2 ) and mononuclear [(Cp)(CO) 2 Fe(H)] (Fp-H). This transition metal radical fragment was evaluated because dinuclear complexes built with it have recently shown a variety of unique reactions but has proven challenging to accurately calculate with DFT methods. Here we show that DFT methods provide a surprising wide range of fragmentation energies for Fp 2 and lower and mid rung DFT methods as well as DLPNO–CCSD(T) perform well for this dissociation energy. The highest rung double-hybrid methods have a large range in the Fp 2 dissociation energy, and the energy greatly depends on the amount of MP2 correlation energy included. For generating Fp• from Fp-H the lower and mid rung methods that worked well for Fp 2 showed significant error. Double-hybrid methods unfortunately are only accurate for the Fe–H bond if they are very inaccurate for the Fp 2 dissociation energy. While DLPNO–CCSD(T) is not perfect, and not close to chemically accurate for the Fe–H bond, it does provide reasonable accuracy for both Fp 2 and Fp-H dissociation energies.

density functional theory↗

DOE OSTI2026

Deployment of Traditional and Hybrid Machine Learning for Critical Heat Flux Prediction in the CTF Thermal-Hydraulics Code

Critical heat flux (CHF) marks the transition from nucleate to film boiling, where heat transfer to the working fluid can rapidly deteriorate. Accurate CHF prediction is essential for efficiency, safety, and preventing equipment damage, particularly in nuclear reactors. Although widely used, empirical correlations frequently exhibit discrepancies when compared to experimental data, limiting their reliability in diverse operational conditions. Traditional machine learning (ML) approaches have demonstrated potential for CHF prediction but often suffer from limited interpretability, data scarcity, and insufficient knowledge of physical principles. Hybrid model approaches, which combine data-driven ML with base models, mitigate these concerns by incorporating prior knowledge of the domain. This study integrates an externally trained purely data-driven ML model and two hybrid models (using the Biasi and Bowring CHF correlations) within the CTF subchannel code via a custom Fortran framework. Performance was evaluated using two validation cases: a subset of the Nuclear Regulatory Commission (NRC) CHF database and the Bennett dryout experiments. In both cases, the hybrid models demonstrated significantly lower error metrics compared to conventional empirical correlations, with the best models often reducing relative error by about 5 percentage points. The pure ML model achieved comparable accuracy, outperforming the hybrid Biasi model in the NRC test case (3.3% versus 5.5% relative error) but exhibiting slightly higher error against the hybrid Bowring model in the Bennett test case (7.7% versus 6.1%). Trend analysis of error parity indicated that ML-based models reduced the tendency for CHF overprediction, improving overall accuracy. These results demonstrate that ML-based CHF models can be effectively integrated into subchannel codes and could potentially increase performance compared to conventional methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1977

A comparison of GaAs and Si hybrid solar power systems

Five different hybrid solar power systems using silicon solar cells to produce thermal and electric power are modeled and compared with a hybrid system using a GaAs cell. Among the indices determined are capital cost per unit electric power plus mechanical power, annual cost per unit electric energy, and annual cost per unit electric plus mechanical work. Current costs are taken to be $35,000/sq m for GaAs cells with an efficiency of 15% and $1000/sq m for Si cells with an efficiency of 10%. It is shown that hybrid systems can be competitive with existing methods of practical energy conversion. Limiting values for annual costs of Si and GaAs cells are calculated to be 10.3 cents/kWh and 6.8 cents/kWh, respectively. Results for both systems indicate that for a given flow rate there is an optimal operating condition for minimum cost photovoltaic output. For Si cell costs of $50/sq m optimal performance can be achieved at concentrations of about 10; for GaAs cells costing 1000/sq m, optimal performance can be obtained at concentrations of around 100. High concentration hybrid systems offer a distinct cost advantage over flat systems.

Heinbockel, J. H.↗

DOE OSTI2023

Anomalous Charge Transfer from Organic Ligands to Metal Halides in Zero-Dimensional [(C 6 H 5 ) 4 P] 2 SbCl 5 Enabled by Pressure-Induced Lone Pair-π Interaction

Low-dimensional (low-D) organic metal halide hybrids (OMHHs) have emerged as fascinating candidates for optoelectronics due to their integrated properties from both organic and inorganic components. However, for most of low-D OMHHs, especially the zero-D (0D) compounds, the inferior electronic coupling between organic ligands and inorganic metal halides prevents efficient charge transfer at the hybrid interfaces and thus limits their further tunability of optical and electronic properties. Here, using pressure to regulate the interfacial interactions, efficient charge transfer from organic ligands to metal halides is achieved, which leads to a near-unity photoluminescence quantum yield (PLQY) at around 6.0 GPa in a 0D OMHH, [(C 6 H 5 ) 4 P] 2 SbCl 5 . In situ experimental characterizations and theoretical simulations reveal that the pressure-induced electronic coupling between the lone-pair electrons of Sb 3+ and the π electrons of benzene ring (lp-π interaction) serves as an unexpected “bridge” for the charge transfer. Further, our work opens a versatile strategy for the new materials design by manipulating the lp-π interactions in organic–inorganic hybrid systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Hybrid nanocapsules for in situ TEM imaging of gas evolution reactions in confined liquids

Liquid cell transmission electron microscopy (TEM) enables the direct observation of dynamic physical and chemical processes in liquids at the nanoscale. Quantitative investigations into reactions with fast kinetics and/or multiple reagents will benefit from further advances in liquid cell design that facilitate rapid in situ mixing and precise control over reagent volumes and concentrations. This work reports the development of inorganic–organic nanocapsules for high-resolution TEM imaging of nanoscale reactions in liquids with well-defined zeptoliter volumes. These hybrid nanocapsules, with 48 nm average diameter, consist of a thin layer of gold coating a lipid vesicle. As a model reaction, the nucleation, growth, and diffusion of nanobubbles generated by the radiolysis of water is investigated inside the nanocapsules. When the nanobubbles are sufficiently small (10–25 nm diameter), they are mobile in the nanocapsules, but their movement deviates from Brownian motion, which may result from geometric confinement by the nanocapsules. Gases and fluids can be transported between two nanocapsules when they fuse, demonstrating in situ mixing without using complex microfluidic schemes. The ability to synthesize nanocapsules with controlled sizes and to monitor dynamics simultaneously inside multiple nanocapsules provides opportunities to investigate nanoscale processes such as single nanoparticle synthesis in confined volumes and biological processes such as biomineralization and membrane dynamics.

36 MATERIALS SCIENCE↗