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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermodynamic assessment of lithium halide reciprocal salt systems for energy applications

Lithium halides are of interest because of their unique applications as fuel or coolants in molten salt reactors (MSRs) and electrolytes in thermally activated batteries. Because iodine is an important fission product for MSRs, the Molten Salt Thermal Properties Database-Thermochemical (MSTDB-TC) is being expanded to include relevant iodide reciprocal salt systems. In this work, we assess the thermochemical properties of lithium halide pseudobinary systems based on reported experimental phase diagrams, eutectic temperatures, and enthalpies of mixing. Within the framework of the modified quasi-chemical model in the quadruplet approximation (MQMQA), extrapolations to the related pseudoternary and pseudoquaternary systems have been performed. The pseudoquaternary representations of phase equilibria, enthalpy, entropy, and heat capacity are represented in the resultant models. Of interest for generating source terms for accident analysis is the ability to compute the vapor pressures of the dominant iodide species for the systems at any composition. Here, an example of such calculations is provided for the LiF-LiI system at x LiI = 0.01 and x LiI = 0.70, in this case indicating that the LiI vapor species are predominant.

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

Conceptual design study of neutron detectors for safeguards measurement of an irradiated pebble

Nuclear material control and accounting (MC&A) of pebble-bed reactors (PBRs) is challenging because a PBR utilizes hundreds of thousands of identical, unmarked pebbles that are continuously recirculated through the core. To develop tools that enable the implementation of international safeguards, especially in the context of MC&A of spent pebbles, we designed and simulated three neutron detection concepts to determine fissile content in individual pebbles: a differential die-away (DDA) detector, a californium interrogation prompt neutron (CIPN) detector, and a passive neutron albedo reactivity (PNAR) detector using Monte Carlo calculations. Burnup calculations were performed on the spent pebbles from the PBMR-400 classic PBR. The varying neutron and gamma source terms, and isotopic compositions in the spent pebbles calculated at various burnup levels were used in the neutron detector models. DDA was found to be sensitive to the number of passes a pebble has had through the core and to the fissile content contained in a spent pebble. Optimization in the DDA design further increased the neutron count rates and thus reduced counting uncertainty. Meanwhile, passive neutron counting using the same detector body could distinguish pebbles with different numbers of passes, but its response was dominated by neutron-emitting actinides and was not sensitive to fissile content. On the other hand, the PNAR technique was not viable for a single pebble but performed reasonably for a 27-pebble array, which suggested potential use for verification measurements of containers filled with 27 or more spent pebbles.

CIPN↗
DOE OSTI2020

Radiation shielding analysis of the concrete hutch of a long beamline of the Advanced Photon Source Upgrade project

The radiation shielding analysis of the external concrete enclosure of a feature long beamline of the Advanced Photon Source Upgrade project is described in this work. The beamline has 2 undulators that can operate in two different configurations and the source terms are estimated for the worst configuration using the SRW code in the OASYS package as well as the STAC8 code. The shielding analysis is carried out using the STAC8 code, and for the case of pink beam, with the FLUKA code also. Effective dose rates on contact with the outside surface of the concrete walls for pink, reflected full spectrum and monochromatic beams are calculated. For the monochromatic beams, 2 sets of discrete bandwidths (BW) from the Double Crystal Monochromator (DCM) and the full reflectance of the Double Multilayer Monochromator (DMM) are used. Further, due to the size of the direct beam and the energy domain of interest in the direct and scattered fields, the importance of the equivalent dose to the lens of the eye is discussed with respect to the shielding calculations of such facilities. The dose rates outside the concrete hutch in the lateral directions calculated using STAC8 is about 50% higher than the FLUKA results for the case of pink beam but may be considered as a reasonable agreement due to the differences in the calculational methodologies. Those dose rates in the lateral and forward directions are higher for the pink beam to allow full occupancy from the radiation protection point of view. For the full spectrum after 3 reflections, the effective dose rates are less than 0.5 Sv/h in the lateral direction but is higher in the forward region below about 22° with respect to the beam direction. For the DCM beams, except for the scenario with one mirror and 0.1%BW, all dose rates are less than 0.5 Sv/h outside the concrete hutch in the lateral directions. Here, the higher harmonics are what contributes to the dose outside the shield and the bandwidths assumed to derive the photon flux thus becomes important. The dose rates with the DMM are generally lower compared to the 0.1% BW DCM beam but are higher than the results obtained with XOP calculated bandwidths.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Thermal loading analysis of the ring injection dump for the Spallation Neutron Source facility

The ring injection dump (RID) is the largest beam dump in the Spallation Neutron Source facility at Oak Ridge National Laboratory and accepts a fraction of the beam from the ring that is not captured in the ring during injection. Thermo-fluid modeling of the RID components was performed during the initial design by using the software ANSYS CFX to characterize the power rating for the RID. From the calculations, the power rating was lowered from 200 kW to 150 kW, at 1.3 GeV beam energy due to concerns regarding the heating of the concrete structure. The Proton Power Upgrade project scope included reevaluating the power limit to the RID in anticipation that increasing it would provide more operational flexibility. The focus was on the shielding because it was the limiting factor, and data collected from thermocouples installed on the structure were used to benchmark the analysis. A three-stage process was adopted in the latest study. First, the already existing steady-state calculations were validated and extended with the latest Monte Carlo N-Particle source term calculations. Second, transient calculations were conducted to capture the dynamic state of the system in response to the energy dumped to the RID during the following operational period of the beam from 2005–2019 (14 years), and sensitivity analyses of crucial parameters were performed to benchmark the model with reasonable accuracy. Finally, an idealized transient cycle analysis was conducted with realistic duty factors to predict the temperature distribution at higher beam powers. Overall, the results confirmed the accuracy of the original steady state model but allowed the development of a new validated transient model with higher accuracy for future analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Consequence analyses of sabotage-induced radiological releases in sodium-cooled fast microreactors

Analysis of three sodium-cooled fast microreactors (SFMs) with thermal powers of 10, 30, and 50 MWt showed that smaller reactors result in lower radiological consequences during a postulated sabotage-induced event because of their reduced core inventory. All SFMs used U-10Zr metal fuel enriched to 15 wt% high-assay low-enriched uranium and operated until their respective effective multiplication factor (k eff ) reduced to less than 1 or until the end of their operational lifespan. Sabotage scenarios were simulated at this point, when the fuel inventory within the core contains the highest-level of radioactivity. Radionuclide core inventories were calculated using the SCALE code at shutdown and 3 days post-shutdown. Dose consequence analyses were performed for three sabotage scenarios using the RASCAL tool. As microreactor developers plan for minimal on-site or complete off-site emergency response, it remains essential to evaluate their physical protection needs and potential hazards, including assessing postulated sabotage-induced events that could become more relevant. SFM licensees should identify a credible worst-case, major accident, estimate release source terms, and perform dose consequence analyses to evaluate site-specific physical protection measures. In conclusion, this recommendation supports a risk-informed, performance-based approach, aligning with applicable regulatory requirements, i.e., 10 CFR Parts 100 and 53 rulemaking in the United States.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Consequence analyses of sabotage-induced radiological releases in high-temperature helium-cooled prismatic microreactors

Here, this study analyzes the radiological dose consequences of sabotage-induced accidents at three high-temperature helium-cooled prismatic microreactors (HTPMs) with thermal power ratings of 1, 10, and 50 MWt. Each HTPM employs uranium oxycarbide tristructural isotropic fuel enriched to 19.75 wt% high-assay low-enriched uranium. Simulations were conducted to estimate reactor core inventory at the point of fuel discharge––when the effective multiplication factor reduced to less than 1––representing peak radionuclide inventory. Postulated sabotage scenarios leading to reactor shutdown were analyzed at two intervals: immediately post-shutdown (0 h) and 3 days after shutdown using the SCALE code for radionuclide inventories and the RASCAL tool for dose consequences. Results show that although HTPMs benefit from inherent safety features and robust fuel design, radiological consequences scale with reactor power because of increased source term inventories. Smaller microreactors exhibited proportionally lower dose consequences. To support the economic and regulatory feasibility of microreactor deployment, this study emphasizes the value of a risk-informed, performance-based approach, as supported by regulations like 10 CFR Parts 100 and 53 in the United States. Microreactor developers should perform site-specific assessments of potential sabotage or low-probability, high-consequence events, especially when considering minimal on-site or full off-site emergency response.

Consequence↗
DOE OSTI2020

Predicting cell-to-cell failure propagation and limits of propagation in lithium-ion cell stacks

Thermal runaway of lithium-ion batteries is a risk that is magnified when stacks of lithium-ion cells are used for large scale energy storage. When limits of propagation can be identified so that systems can be designed to prevent large scale cascading failure even if a failure does occur, these systems will be safer. This work addresses the prediction of cell-to-cell failure propagation and the propagation limits in lithium-ion cell stacks to better understand and identify safe designs. A thermal-runaway model is presented based on recent developments in thermochemical source terms. It is noted that propagating failure is characterized by temperatures above which calorimetry data is available. Results show high temperature propagating failure predictions are too rapid unless an intra-particle diffusion limit is included, introducing a Damköhler number limiter into the rate expression. This new model form is evaluated against cell-to-cell failure propagation where the end cell of a stack is forced into thermal runaway through a nail-induced short circuit. Limits of propagation for this configuration are identified. Results show cell-to-cell propagation predictions are consistent with measurements over a range of cell states of charge and with the introduction of metal plates between cells to add system heat capacity representative of structural members. This consistency extends from scenarios where propagation occurs through scenarios where propagation is prevented.

25 ENERGY STORAGE↗
DOE OSTI2025

Assessment of integral models for non-Boussinesq lazy plumes using numerical simulations

Integral modelling of turbulent buoyant plumes is crucial for rapid predictions of plume characteristics. While the governing equations are typically derived using self-similarity and a Boussinesq approximation, these assumptions may not hold for plumes originating from finite-area sources with large density ratios. Here, this work evaluates the accuracy of integral-scale models for non-Boussinesq lazy plumes using high-fidelity numerical simulations of turbulent helium plumes. We analyse the plume kinematics by computing vertical fluxes, plume radius and radial profiles, establishing some disparities between common practice and physical accuracy. We identify how the definition of the plume radius changes the perception of the plume structure when the flow is not self-similar and derive a relationship between the flux-based and threshold-based definitions without requiring self-similarity. We then examine the plume dynamics by evaluating the source terms from the governing plume equations. Our results support neglecting diffusive and viscous effects but emphasise the importance of the mean pressure gradient, even in the self-similar regime. Two coefficients need to be modelled: the well-known entrainment coefficient and the lesser-known momentum correction coefficient, which is a correction required for the momentum equation to account for self-similar and slender approximations. The momentum correction coefficient is found to be approximately constant and slightly greater than the assumed value of 1. The standard entrainment coefficient models perform well up to a local Richardson number three times the asymptotic value but overpredict entrainment for larger Richardson numbers. We propose a correction using the known finite limit of entrainment at infinite Richardson number.

Meehan, Michael Alexander [Sandia National Laborat↗
DOE OSTI2025

OzMALDI: A Gas-Phase, In-Source Ozonolysis Reaction for Efficient Double-Bond Assignment in Mass Spectrometry Imaging with Matrix-Assisted Laser Desorption/Ionization

Lipids make up an important class of biomolecules with diverse structures and varied chemical functions. This diversity is a major challenge in chemical analysis and limits our understanding of biological functions and regulation. A major way lipid isomers differ is by double-bond (db) position, and analyzing db-isomers is especially challenging for mass spectrometry imaging (MSI). Ozonolysis can be used to determine the dbposition and has been paired with MSI before. However, previous techniques require increased analysis time to allow for gas-phase reactions within an ion trap or ion mobility cell or additional sample preparation time to allow for offline ozonation. Here, we introduce a new ozonolysis method inside the matrix-assisted laser desorption-ionization (MALDI) source, termed OzMALDI, that simultaneously produces ozonides from all unsaturated lipids. This allows us to determine db-positions without adding additional reaction time while maintaining the high mass resolution provided by Orbitrap MS. This new technique is especially effective at determining multiple db-positions in lipids containing polyunsaturated fatty acids, which is a limitation of many previous techniques. OzMALDI-MSI was applied to the analysis of rat brain and genetically engineered Camelina and soybean seed samples, demonstrating the utility of this method and uncovering novel biological information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Computational multiphysics modeling of radioactive aerosol deposition in diverse human respiratory tract geometries

The evaluation of aerosol exposure relies on generic mathematical models that assume uniform particle deposition profiles over the human respiratory tract and do not account for subject-specific characteristics. Here we introduce a hybrid-automated computational workflow that generates personalized particle deposition profiles in 3D reconstructed human airways from computed tomography scans using Computational Fluid and Particle Dynamics simulations. This is the first large-scale study to consider realistic airways variability, where 380 lower and 40 upper human respiratory tract 3D geometries are reconstructed and parameterized. The data is clustered into nine groups using random forest regression. Computational fluid and particle dynamics simulations are conducted on these representative geometries using a realistic heavy-breathing respiratory cycle and radioactive iodine-131 as a source term. Monte Carlo radiation transport simulations are performed to obtain detailed energy deposition maps. Our findings emphasize the importance of personalized studies, as minor respiratory tract variations notably influence deposition patterns rather than global parameters of the lower airways, observing more than 30% variance in the mass deposition fraction.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Kinetic Model for Moisture-Controlled CO 2 Sorption

The understanding of the sorption/desorption kinetics is essential for practical applications of moisture-controlled CO 2 sorption. We introduce an analytic model of the kinetics of moisture-controlled CO 2 sorption and its interpretation in two limiting cases. In one case, chemical reaction kinetics on pore surfaces dominates, in the other case, diffusive transport through the sorbent defines the kinetics. Here, we show that reaction kinetics, which is dominant in the first case, can be expressed as a linear combination of 1st and 2nd order kinetics in agreement with the static isotherm equation derived and validated in a previous paper. The interior transport kinetics can be described by non-linear diffusion equations. By combining all carbon species into a single equation, we can eliminate — in certain limits — the source terms associated with chemical reactions. In this case, the governing equation is ∂θ/∂t = –∇ · (–D eff ∇ θ ). For a sorbent in a form of a flat sheet or a membrane, one can maintain the same functional form of a diffusion equation by introducing a generalized effective diffusivity D M that combines contributions from both surface chemical reaction kinetics and interior diffusive transport kinetics. Experimental data of transient CO 2 flux in a preconditioned commercial anion exchange membrane fit well to the 1st order model as long as very dry states are avoided, validating the theory. The observed DM for a preconditioned commercial anion exchange membrane ranges from 6.6× 10 -14 to 7.1× 10 -14 m 2 s -1 at 35°C. These small values compared to typical ionic diffusivities imply a very slow kinetics, which will be the largest issue that needs to be addressed for practical application. The collected transient CO 2 flux data are used to predict the magnitude of a continuous CO 2 pumping flux in an active membrane that transports CO 2 against a CO 2 concentration gradient. The pumped CO 2 flux is supported by water flux due to a water concentration gradient.

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

Multidimensional low-Mach number time-implicit hydrodynamic simulations of convective helium shell burning in a massive star

A realistic parametrization of convection and convective boundary mixing in conventional stellar evolution codes is still the subject of ongoing research. Furthermore, to improve the current situation, multidimensional hydrodynamic simulations are used to study convection in stellar interiors. Such simulations are numerically challenging, especially for flows at low Mach numbers which are typical for convection during early evolutionary stages. We explore the benefits of using a low-Mach hydrodynamic flux solver and demonstrate its usability for simulations in the astrophysical context. Simulations of convection for a realistic stellar profile are analyzed regarding the properties of convective boundary mixing. The time-implicit Seven-League Hydro (SLH) code was used to perform multidimensional simulations of convective helium shell burning based on a 25 M ⊙ star model. The results obtained with the low-Mach AUSM + -up solver were compared to results when using its non low-Mach variant AUSM B + -up. We applied well-balancing of the gravitational source term to maintain the initial hydrostatic background stratification. The computational grids have resolutions ranging from 180 × 90 2 to 810 × 540 2 cells and the nuclear energy release was boosted by factors of 3 × 10 3 , 1 × 10 4 , and 3 × 10 4 to study the dependence of the results on these parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Mean-field limit of a hybrid system for multi-lane multi-class traffic

This article aims to study coupled mean-field equation and ODEs with discrete events motivated by vehicular traffic flow. Precisely, multi-lane traffic flow in presence of human-driven and autonomous vehicles is considered, with autonomous vehicles possibly influenced by external policymakers. First, a finite-dimensional hybrid system is developed based on the continuous Bando-Follow-the-Leader dynamics coupled with discrete events due to lane-change maneuvers. Then the mean-field limit of the finite-dimensional hybrid system is rigorously derived for the dynamics of the human-driven vehicles. The microscopic lane-change maneuvers of the human-driven vehicles generate a source term for the mean-field PDE. This leads to an infinite-dimensional hybrid system described by coupled Vlasov-type PDE, ODEs, and discrete events.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Magnetization around mix jets entering inertial confinement fusion fuel

Engineering features are known to cause jets of ablator materials to enter the fuel hot-spot in inertial confinement fusion implosions. The Biermann battery mechanism wraps them in a self-generated magnetic field. Here we show that higher-Z jets have an additional thermoelectric magnetic source term that is not present for hydrogen jets, verified here through a kinetic simulation. It has similar magnitude to the Biermann term. We then include this in an extended magneto-hydrodynamic approach to post process an xRAGE radiation-hydrodynamic implosion simulation. The simulation includes an accurate model for the capsule fill tube, producing a dense carbon jet that becomes wrapped in a 4000 T magnetic field. A simple spherical carbon mix model shows that this insulates the electron heat conduction enough to cause contraction of the jet to an optically thick equilibrium. The denser magnetized jet hydrodynamics could change its core penetration and therefore the final mix mass, which is known to be well correlated with fusion yield degradation. Fully exploring this will require self-consistent magneto-hydrodynamic simulations. Experimental signatures of this self-magnetization may emerge in the high energy neutron spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Thermomagnetic instability of plasma composition gradients

In this paper, we show that, under Braginskii magneto-hydrodynamics, anti-parallel gradients in an average ion charge state and electron temperature can be unstable to the growth of self-generated magnetic fields. The instability is analogous to the field-generating thermomagnetic instability, although it is driven by the collisional thermal force magnetic source term rather than the Biermann battery term. The gradient in ion charge state causes a gradient in collisionality, which couples with temperature perturbations to create a self-generated magnetic field. This magnetic field deflects the electron heat flux in a way that reinforces the temperature perturbation. The derived linearized growth rate, typically on hydrodynamic timescales, includes resistive and thermal smoothing. It increases with large ion composition gradients and electron heat flux, conditions typical of the hohlraum walls or contaminant mix jets in inertial confinement fusion implosions. However, extended magneto-hydrodynamic simulations indicate that the instability is usually dominated and stabilized by nonlinear Nernst advection, in a similar manner to the standard thermomagnetic instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Laser-driven flash x-ray radiography of a shocked metallic foil

Characterizing hydrodynamic instability evolution in millimeter-scale, high-Z foils is crucial for understanding complex phenomena in high-energy-density physics. Here, we demonstrate a proof-of-concept, laser-driven flash x-ray radiography platform tailored for two-dimensional linear density mapping in shocked high-Z foils. Using chromium (Cr) foils with internal shockwaves (∼100 μm width), our platform achieves a spatial resolution of 59.8 ± 1.4 μm by employing a broadband x-ray source extending into the hundreds of keV range. The setup combines a compound parabolic concentrator cone with a tantalum wire target, a magnetic field to deflect residual transmitted electrons, and a copper casing to shield the sides and rear of the image plate pack. By varying the delay of the short-pulse beam driving the flash x-ray source, we resolve shockwave dynamics, specifically the velocity, position, width, and density profile, within the Cr foil. Reported experimental results are consistent with the corresponding hydrodynamics and radiation transport simulations, which accurately reproduce the measured electron and x-ray source terms. These developments enable the conversion of shockwave radiographs into two-dimensional density maps, enhancing interpretability for hydrodynamic instability evolution applications and validating the simulation approach.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A subgrid model for electron-scale turbulent transport in global ion-scale gyrokinetic simulations of tokamak plasmas

A subgrid electron–temperature–gradient (ETG) model is demonstrated here which averages local electron-scale turbulence over intermediate scales in space and time to include in global ion–temperature–gradient (ITG) simulations. This approach results in ion-scale equations, which incorporate the electron heat transport from ETG turbulence and the effects of electron-scale turbulence on the ion scale. Flux-tube ETG Cyclone Base Case simulations are performed at different radial locations and a kinetic form of the flux is added to global ion-scale (IS) simulations as a source term. Analytic radial profiles of ETG heat flux are constructed and compared to flux-tube results at multiple radial locations. Different ratios of ITG to ETG heat flux levels are considered and the results of capturing ETG heat transport in global ion-scale simulations are discussed. The potential coupling of the ETG streamer potential and intermediate-scale zonal flows to the ion scale is further addressed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Development and Experimental Validation of a Heat Transfer Model for Spilled Molten Salt Pools

A spill of radionuclide-bearing molten salt is one of the major postulated events that needs to be analyzed for liquid fluorine salt-cooled high-temperature reactor (FHR) or molten salt reactor licensing purposes. In this postulated event, radioactive source term materials (RSTMs) in the molten salt are discharged from the reactor vessel to the reactor building. The release of RSTMs from the spilled salt pool to the gas space in the reactor building is expected to be controlled by the cooling behavior of the spilled salt, including the growth and shrinkage of the solid crust on the surface of the spilled salt pool. This paper presents a simulation model for spilled salt pool heat transfer and validation efforts. The validation data come from two molten salt spill tests that were performed recently: the PELE2 test by the Rapid Experimental Laboratory of Kairos Power LLC (KP) and the Argonne salt cooling test conducted by Argonne National Laboratory. The former was a large-scale test involving kilograms of molten spilled FLiNaK salt, and the latter was a relatively smaller-scale test targeting various processes associated with a salt spill event. Both tests generated valuable data sets that can be used to assess salt cooling and validate evaluation models. This paper provides a new one-dimensional model that can simulate the cooling process of a spilled salt pool as well as the thermal responses of heat structures, such as the stainless steel liner and the concrete below the salt. The model has been implemented as part of KP-SAM code, which is a branch of the systems code SAM specific to KP FHR. In conclusion, the simulation results of the model are compared with the data of the PELE2 and Argonne tests, and reasonable agreements are observed between the model and test data.

heat transfer model↗