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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Direct Measurements of Dimethyl Sulfide Oxidation Chemistry: Uncovering the Primary Pathways from Gas Phase to Sulfate Aerosols

We report experimental measurements of dimethyl sulfide oxidation, focusing on a major chemical intermediate, hydroperoxymethyl thioformate (HPMTF). The (photo)chemistry and transport properties of HPMTF, which are critical to accurate modeling of tropospheric sulfur, are not known, partly because current analytical methods are not optimized for elusive chemical intermediates. We investigated dimethyl sulfide oxidation using a custom time-resolved photoionization mass spectrometer, interfaced with pulsed laser photolysis, continuous photolysis, and liquid droplet reactors. We detected and characterized HPMTF (along with other reaction intermediates), quantified its yield, and measured its formation rate coefficient. We also developed a clean, intense, online HPMTF source, suitable for further experimental investigations. Lastly, we measured the mass accommodation coefficient of HPMTF on water droplets – a critical quantity for modeling its atmospheric partitioning between the gas and condensed phases. The experimental platform we developed here enables the exploration of other critical elusive reaction intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Antineutrino energy spectrum unfolding based on the Daya Bay measurement and its applications

The prediction of reactor antineutrino spectra will play a crucial role as reactor experiments enter the precision era. The positron energy spectrum of 3.5 million antineutrino inverse beta decay reactions observed by the Daya Bay experiment, in combination with the fission rates of fissile isotopes in the reactor, is used to extract the positron energy spectra resulting from the fission of specific isotopes. This information can be used to produce a precise, data-based prediction of the antineutrino energy spectrum in other reactor antineutrino experiments with different fission fractions than Daya Bay. The positron energy spectra are unfolded to obtain the antineutrino energy spectra by removing the contribution from detector response with the Wiener-SVD unfolding method. Consistent results are obtained with other unfolding methods. A technique to construct a data-based prediction of the reactor antineutrino energy spectrum is proposed and investigated. Given the reactor fission fractions, the technique can predict the energy spectrum to a 2% precision. In addition, we illustrate how to perform a rigorous comparison between the unfolded antineutrino spectrum and a theoretical model prediction that avoids the input model bias of the unfolding method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Bayesian calibration of bubble size dynamics applied to CO 2 gas fermenters

To accelerate the scale-up of gaseous CO 2 fermentation reactors, computational models need to predict gas-to-liquid mass transfer which requires capturing the bubble size dynamics, i.e. bubble breakup and coalescence. However, the applicability of existing models beyond air–water mixtures remains to be established. Here, an inverse modeling approach, accelerated with a neural network surrogate, calibrates the breakup and coalescence closure models, that are used in class methods for population balance modeling (PBM). The calibration is performed based on experimental results obtained in a CO 2 -air–water-coflowing bubble column reactor. Bayesian inference is used to account for noise in the experimental dataset and bias in the simulation results. To accurately capture gas holdup and interphase mass transfer, the results show that the breakage rate needs to be increased by one order of magnitude. In conclusion, the inferred model parameters are then used on a separate configuration and shown to also improve bubble size distribution predictions.

09 BIOMASS FUELS↗
DOE OSTI2015

Investigation of parameters of interaction of hydrogen isotopes with liquid lithium and lithium capillary-porous system under reactor irradiation

In this study, the effect of reactor irradiation on the processes of interaction of hydrogen with liquid lithium and a lithium capillary-porous system (CPS) is considered. The experiments are carried out by the gas-absorption method with use of a specially designed ampoule device. The results of investigation of the interaction of hydrogen with liquid lithium and a lithium CPS under conditions of reactor irradiation are described; namely, these are the temperature dependences of the rate constant for the interaction of hydrogen with liquid lithium at different reactor powers, the activation energies of the processes, and the pre-exponential factor in the Arrhenius dependence. The effect of increasing absorption of hydrogen by the samples under investigation as a result of the reactor irradiation is fixed. The effect can be explained by increasing mobility of hydrogen in liquid lithium due to hot spots in lithium bulk and the interaction of helium and tritium ions (formed as a result of the nuclear reaction of {sup 6}Li with neutron) with a surface hydride film.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Interpreting experimental measurements of helium bubbles using stochastic cluster dynamics models of heterogeneous nucleation and growth in irradiated ferritic alloys

Among a number of other advantageous features, ferritic/martensitic steels are being considered as fusion reactor structural materials due to their low intrinsic swelling under irradiation. However, under high-energy neutron irradiation, He produced through (n, α) reactions stabilizes vacancy clusters, which then act as seeds for bubble formation and growth, negating the intrinsic swelling resistance of these alloys. Standard models of irradiation damage accumulation and microstructural evolution consider homogeneous nucleation as the basis for bubble formation and growth. However, this generally does not explain the large bubble densities and sizes observed experimentally under a number of different conditions. Here, we propose a more realistic physical model of bubble nucleation, formation, and growth designed to capture recent experimental measurements of He-bubble formation and evolution during co-implantation of He and Fe ions in model ferritic alloys. We find that experimental results are explained only when the following three features are considered simultaneously: (i) heterogeneous nucleation of He-vacancy bubbles at defect sinks (e.g., dislocations, grain boundaries, and second-phase precipitates), (ii) nucleation and growth of bubbles via the ‘trap mutation’ mechanism (i.e., spontaneous production of Frenkel pairs due to absorption of He atoms), and (iii) transition from a growth-limited, He-stabilized bubble regime to a ‘runaway’ void-type growth scenario. The model is implemented into a stochastic cluster dynamics framework that takes advantage of cluster size grouping methods to accelerate the simulations, allowing us to reach 10 dpa of simulated irradiated dose, and to capture cluster sizes in excess of 20 nm. Further, a careful extrapolation exercise conducted assuming classical nucleation theory leads to excellent agreement with the experimental measurements at 50 dpa of irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Hybridizable Discontinuous Galerkin solver for the Grad–Shafranov equation

In axisymmetric fusion reactors, the equilibrium magnetic configuration can be expressed in terms of the solution to a semi-linear elliptic equation known as the Grad–Shafranov equation, the solution of which determines the poloidal component of the magnetic field. When the geometry of the confinement region is known, the problem becomes an interior Dirichlet boundary value problem. We propose a high order solver based on the Hybridizable Discontinuous Galerkin method. The resulting algorithm (1) provides high order of convergence for the flux function and its gradient, (2) incorporates a novel method for handling piecewise smooth geometries by extension from polygonal meshes, (3) can handle geometries with non-smooth boundaries and x-points, and (4) deals with the semi-linearity through an accelerated two-grid fixed-point iteration. The effectiveness of the algorithm is verified with computations for cases where analytic solutions are known on configurations similar to those of actual devices (ITER with single null and double null divertor, NSTX, ASDEX upgrade, and Field Reversed Configurations).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Numerical simulation of losses along a natural circulation helium loop

A natural circulation helium loop appears to be a perspective passive method of a nuclear reactor cooling. When designing this device, it is important to analyze the mechanism of an internal flow. The flow of helium in the loop is set in motion due to a difference of hydrostatic pressures between cold and hot branch. Steady flow at a requested flow rate occurs when the buoyancy force is adjusted to resistances against the flow. Considering the fact that the buoyancy force is proportional to a difference of temperatures in both branches, it is important to estimate the losses correctly in the process of design. The paper deals with the calculation of losses in branches of the natural circulation helium loop by methods of CFD. The results of calculations are an important basis for the hydraulic design of both exchangers (heater and cooler). The analysis was carried out for the existing model of a helium loop of the height 10 m and nominal heat power 250 kW.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Extremely accurate sequential verification of RELAP5-3D

Large computer programs like RELAP5-3D solve complex systems of governing, closure and special process equations to model the underlying physics of nuclear power plants. Further, these programs incorporate many other features for physics, input, output, data management, user-interaction, and post-processing. For software quality assurance, the code must be verified and validated before being released to users. For RELAP5-3D, verification and validation are restricted to nuclear power plant applications. Verification means ensuring that the program is built right by checking that it meets its design specifications, comparing coding to algorithms and equations and comparing calculations against analytical solutions and method of manufactured solutions. Sequential verification performs these comparisons initially, but thereafter only compares code calculations between consecutive code versions to demonstrate that no unintended changes have been introduced. Recently, an automated, highly accurate sequential verification method has been developed for RELAP5-3D. The method also provides to test that no unintended consequences result from code development in the following code capabilities: repeating a timestep advancement, continuing a run from a restart file, multiple cases in a single code execution, and modes of coupled/uncoupled operation. In conclusion, mathematical analyses of the adequacy of the checks used in the comparisons are provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

The Preparation and Characterization of Co–Ni Nanoparticles and the Testing of a Heterogenized Co–Ni/Alumina Catalyst for CO Hydrogenation

Samples of well-controlled nanoparticles consisting of alloys of cobalt and nickel of different atomic ratios were synthesized using wet chemical methods with oleylamine as the solvent and the reducing agent. These materials were characterized by a variety of techniques, including high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), X-ray energy dispersive spectroscopy (EDS), and X-ray diffraction (XRD). Small amounts of heterogenized catalysts were prepared using alumina as the support. However, the potential for use of Co–Ni catalysts in CO hydrogenation was explored using a larger amount of Co–Ni/alumina catalyst prepared from standard aqueous impregnation methods and tested in a continuously stirred tank reactor (CSTR) for Fischer–Tropsch synthesis (FTS). Results are compared to a reference catalyst containing only cobalt. The heterogenized catalysts were characterized using synchrotron methods, including temperature programmed reduction with extended X-ray absorption fine structure spectroscopy and X-ray absorption near edge spectroscopy (TPR-EXAFS/XANES). The characterization results support intimate contact between Co and Ni, strongly suggesting alloy formation. In FTS testing, drawbacks of Ni addition included decreased CO conversion on a per gram catalyst basis, although Ni did not significantly impact the turnover number of cobalt, and produced slightly higher light gas selectivity. Benefits of Ni addition included an inverted induction period relative to undoped Co/Al2O3, where CO conversion increased with time on-stream in the initial period, and the stabilization of cobalt nanoparticles at a lower weight % of Co.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effectiveness of the metal coating on U–7Mo dispersion fuel in Al during irradiation

The effectiveness of a transition metal coating layer as a diffusion barrier between the UMo and matrix Al was examined. The samples were cut from KAERI-made U-Mo/Al dispersion miniplates containing 8 gU/cm 3 fuel meat. Mo, W and Zr were included as coating candidates. A physical vapor deposition (PVD) method was used to produce about a 0.2-mu m thick coating layer on the UMo. An Al protection coating layer was subsequently applied to protect the main coating layer. The samples were irradiated at the ATLAS facility in Argonne National laboratory with 84-MeV Xe 26+ ions, with the beam current of 200 particles nano ampere (pnA), to achieve a final dose of 2.7x10 17 ions/cm 2 . Post-irradiation examinations included focused ion beam (FIB), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Furthermore, among the coating metals, Mo showed the highest survival during the fuel plate fabrication and endurance during irradiation, which was consistent with the pre-irradiation thermodynamics evaluation. This result also emphasized the importance of the Al protection layer.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

A novel process route for the production of spherical SLS polymer powders

Currently, rapid prototyping gradually is transferred to additive manufacturing opening new applications. Especially selective laser sintering (SLS) is promising. One drawback is the limited choice of polymer materials available as optimized powders. Powders produced by cryogenic grinding show poor powder flowability resulting in poor device quality. Within this account we present a novel process route for the production of spherical polymer micron-sized particles of good flowability. The feasibility of the process chain is demonstrated for polystyrene e. In a first step polymer microparticles are produced by a wet grinding method. By this approach the mean particle size and the particle size distribution can be tuned between a few microns and several 10 microns. The applicability of this method will be discussed for different polymers and the dependencies of product particle size distribution on stressing conditions and process temperature will be outlined. The comminution products consist of microparticles of irregular shape and poor powder flowability. An improvement of flowability of the ground particles is achieved by changing their shape: they are rounded using a heated downer reactor. The influence of temperature profile and residence time on the product properties will be addressed applying a viscous-flow sintering model. To further improve the flowability of the cohesive spherical polymer particles nanoparticles are adhered onto the microparticles’ surface. The improvement of flowability is remarkable: rounded and dry-coated powders exhibit a strongly reduced tensile strength as compared to the comminution product. The improved polymer powders obtained by the process route proposed open new possibilities in SLS processing including the usage of much smaller polymer beads.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Engineered $\mathrm{Ru}$ on $\mathrm{HY}$ zeolite catalyst for continuous and selective hydrodeoxygenation of lignin phenolics to cycloalkanes under moderate conditions

Here we report a continuous selective hydrodeoxygenation (HDO) process of guaiacol conversion to cycloalkanes under 180 °C/1 MPa, which results in improved HDO chemistry for lignin-based jet fuel production. The incipient wetness impregnation method was modified to prepare an HY zeolite-supported Ru catalyst with better metal dispersion and acid site uniformity, which overcomes the low conversion and selectivity of previous literature. The modified catalyst (Ru-HY-60-MI) was tested in a continuous fixed bed reactor, resulting in increased HDO conversion of guaiacol to cycloalkanes compared to the unmodified catalyst. Pressure, temperature, and weight hourly space velocity-dependent tests validate guaiacol HDO over Ru-HY-60-MI catalyzed ring hydrogenation of guaiacol to 2-methoxycyclohexanol, acid-catalyzed demethoxylation and dehydration to cyclohexene, and further hydrogenation of cyclohexene to cyclohexane. These experiments enable exploring a continuous HDO process, demonstrate effectiveness for other ß-ß and a-O-4 lignin representatives and real lignin bio-oil, and pave the way towards commercialization of lignin-based jet fuel

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Deuterium retention characteristics during lithium powder and granule injection in EAST

Fuel retention remains a critical challenge for magnetic confinement fusion devices. As a low-Z material, lithium plays a key role in tokamak wall conditioning and impurity control. In this study, the fuel retention behaviors associated with two lithium forms—powder and granule—are systematically examined using the gas balance method. Both forms of lithium injection significantly enhance fuel retention, shifting the wall behavior from net outgassing to net absorption. For lithium powder injection, compared with the reference discharge, a suppression efficiency exceeding 40% is achieved relative to the number of injected lithium atoms. Moreover, discharges with different injection rates show a monotonic increase in retained fuel with the injected lithium quantity. In contrast, repeated granule injections exhibit a pronounced cumulative effect, with the retention ratio varying from 0.16 to 0.65 over successive discharges, indicating progressive enhancement of wall absorption and deuterium retention. These results advance the understanding of wall behavior modification induced by solid material injection and provide insights for developing effective wall-conditioning strategies using low-Z materials in ITER and future fusion reactors, while the expected high retention may ultimately exclude the use of Li wall conditioning in future fusion devices.

Fuel retention↗
DOE OSTI2024

Reduce-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which usually consists of a database of tabulated values, used to calculate the cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of micro cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. To address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multi-group cross section data across isotopes, reaction types and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs for have been trained for all isotopes in this work and systematic Griffin testing is ongoing at this moment to ensure the feasibility of this ROM technique for cross section predictions.

42 - ENGINEERING↗
DOE OSTI2021

Optimizing Process Conditions during Catalytic Fast Pyrolysis of Pine with Pt/TiO 2 —Improving the Viability of a Multiple-Fixed-Bed Configuration

Catalytic fast pyrolysis (CFP) has been identified as a promising pathway for the production of renewable fuels and co-products. However, continued technology development is needed to increase process efficiency and reduce process costs. This report builds upon previous research in which a bifunctional metal–acid Pt/TiO 2 catalyst was utilized in a fixed-bed reactor operated with co-fed H 2 to improve product yield and reduce coke generation compared to conventional CFP methods. Here, we report further process optimization, in which we achieved similar CFP oil carbon efficiency (>35%) and CFP oil oxygen content (<20 wt %) to our previous report while reducing catalyst and equipment costs by increasing time-on-stream between regenerations by 40–95% and decreasing required regeneration time by more than a factor of 2. These process improvements were achieved by conducting parameter sweeps to determine optimum conditions for CFP and regeneration with key variables including pyrolysis temperature, catalytic upgrading temperature, hydrogen partial pressure, and regeneration oxygen concentration. Coupled with comprehensive oil analyses, these data provide foundational insight into the deoxygenation and coking chemistries for CFP under realistic process conditions while also advancing the technology through applied engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Identification of multiple eigenmode growth rates in DIII-D and EAST tokamak plasmas

Here, the successful application of three-dimensional (3D) magnetohydrodynamic (MHD) spectroscopy in the stable DIII-D and EAST plasmas enables to directly extract the multi-mode plasma transfer function in tokamak experiments. The transfer function not only reveals the contribution of each dominant MHD eigenmode in the multi-model plasma response, but also quantifies the corresponding eigenvalue which is the critical stability index of MHD mode. The method performs the active detection of stable plasma by utilizing the upper and lower rows of internal coils to scan the frequency and poloidal spectrum of the applied 3D field, and reconstructing the multi-mode transfer functions model through the least square fitting of the plasma response measured by 3D-field magnetic sensors distributed at different poloidal locations. The results point to the potential development of an advanced strategy for tracking the plasma stability based on the extracted eigenvalues of stable modes. The improved understanding of the dominant eigenmodes' behavior in multi-mode plasma response through transfer function can also help to optimize the applied 3D fields for the purposes, such as the type-I edge localized mode suppression and the core stability control in future fusion reactors.

3D MHD spectroscopy↗
DOE OSTI2024

Effect of Heat Treatment on Microstructure and Mechanical Property of 316L Stainless Steel Produced by Laser Powder Bed Fusion

The advanced non-light water reactor designs (Gen IV reactors), including molten salt/ very high temperature/ sodium-cooled and lead-cooled fast reactors, typically operate at higher temperatures and more extreme radiation conditions than light water reactors. An intrinsic part of the deployment and progress of Gen IV reactor designs is selecting the most suitable structural material for a specific application. Additive manufacturing (AM), a fairly new process of making physical, three-dimensional objects from a computer design file, is going to completely change the way of design, build and certify nuclear systems. It offers a range of opportunities to produce complex geometries from existing materials, offers new routes for processing of previously difficult to process materials, allows for design of new high-performance materials, and finally facilitates hybridization of dissimilar materials. This emerging technology has successfully produced cars, wind turbine blade molds and even live cells. It could also open up big opportunities for the nuclear industry to quickly deploy technologies at a fraction of the cost. So far, AM techniques have been preliminarily applied in the field of nuclear reactors, including the classical parts such as the pressure vessel of a small reactor with 508-III steel, the bottom nozzle of a fuel assembly with 304L steel, the fuel cladding with zirconium alloy and the integrated impeller of a pump and the multi-channel valve body with 316L steel [6,7]. The AM applications for operating nuclear reactors started in auxiliary plant components and have slowly migrated to metallic reactors and core components, but many of these are not safety critical components. Although many parts used for nuclear reactors have been fabricated by AM techniques, practical applications in engineering are still a long way off due to the uncertainty factors focused on the processing, material properties, analysis methods and application standards, which feeds the safety and life-cycle of the nuclear reactor. Due to rapid, repeated heating and cooling during production, a high dislocation density was present in the AM material. This microstructure feature is unstable at elevated temperature while high temperature is one of the typical operation environments for nuclear reactors. Thus, it is important to understand the thermal effect on the microstructure of AM material. The objectives of this study are to investigate the effect of heat treatment on the microstructure and mechanical properties of 316L stainless steel produced by laser powder bed fusion additive manufacturing, and to determine an appropriate heat treatment practice that will be applied to the lightweight AM lattice-structured material with the same chemistry. The heat treatment study consisted of annealing the samples at a temperature range of 800 to 1200 oC with a 50 oC increment for different times (1-24 hours), followed by vacuum or air cooling. Microstructural characterization was carried out by Scanning Electron Microscope (SEM). Grain size and crystallographic orientation were investigated by Electron Backscatter Diffraction (EBSD). Vickers hardness tests with a 0.5 kg load were employed to determine the hardness of samples after different heat treatments. After heat treatment, the random crystallographic orientation was preserved, and the volume fraction of high-angle grain boundaries (grain boundary misorientation =15 oC) remained the same. The dislocation density decreased with annealing temperature due to recovery. The fine subgrain structures in the as-printed specimen were quite stable up to 1200 oC. Minimal recrystallization was observed up to 1200 oC. Recrystallization initiated only after 8.5 hours at 1200 oC. The SEM images did not show obvious dependence of microstructure on cooling rate. The hardness of the specimens decreased with increasing annealing temperature as a result of the decrease in dislocation density. It is interesting to note that the AM material showed very similar hardness to the wrought material when annealing at similar temperature, although the microstructures are very different. Annealing at 1050 oC for 1 hour followed by air cooling was selected as the heat treatment procedure for the lattice designed lightweight AM 316L material.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Application of transient CHI plasma startup to future ST and AT devices

Employment of non-inductive plasma start-up techniques would considerably simplify the design of a spherical tokamak fusion reactor. Transient coaxial helicity injection (CHI) is a promising method, expected to scale favorably to next-step reactors. Yet, the implications of reactor-relevant parameters on the initial breakdown phase for CHI have not yet been considered. Here, we evaluate CHI breakdown in reactor-like configurations using an extension of the Townsend avalanche theory. We find that a CHI electrode concept in which the outer vessel wall is biased to achieve breakdown, while previously successful on NSTX and HIT-II, may exhibit a severe weakness when scaled up to a reactor. On the other hand, concepts which employ localized biasing electrodes such as those used in QUEST would avoid this issue. Assuming that breakdown can be successfully attained, we then apply scaling relationships to predict plasma parameters attainable in the transient CHI discharge. Assuming the use of 1 Wb of injector flux, we discover that plasma currents of 1 MA should be achievable. Moreover, these plasmas are expected to Ohmically self-heat with more than 1 MW of power as they decay, facilitating efficient hand-off to steady-state heating sources. These optimistic scalings are confirmed by Tokamak Simulation Code simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗