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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Nuclide Inventory Benchmark for BWR Spent Nuclear Fuel: Challenges in Evaluation of Modeling Data Assumptions and Uncertainties

This work discusses challenges and approaches to uncertainty analyses associated with the development of a nuclide inventory benchmark for fuel irradiated in a boiling water reactor. The benchmark under consideration is being developed based on experimental data from the SFCOMPO international database. The focus herein is on how to address missing data in fuel design and operating conditions that are important for adequately simulating the time-dependent changes in fuel during irradiation in the reactor. The effects of modeling assumptions and uncertainties in modeling parameters on the calculated nuclide inventory were analyzed and quantified through computational models developed using capabilities in the SCALE code system. Particular attention was given to the impact of the power history and water coolant density on the calculated nuclide inventory, as well as to the effect of geometry modeling considerations not usually addressed in a nuclide inventory benchmark. These considerations include gap closure, channel bow, and channel corner radius, which do not usually apply to regular reactor operation but are relevant for assessing impacts of potential anomalous operating scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Advanced Finite-Volume Numerics and Source Term Assumptions for Kernel and G-Equation Modelling of Propane/Air Flames

Here G-Equation models represent propagating flame fronts with an implicit two-dimensional surface representation (level-set). Level-set methods are fast, as transport source terms for the implicit surface can be solved with finite-volume operators on the finite-volume domain, without having to build the actual surface. However, they include approximations whose practical effects are not properly understood. In this study, we improved the numerics of the FRESCO CFD code’s G-Equation solver and developed a new method to simulate kernel growth using signed distance functions and the analytical sphere-mesh overlap. We analyzed their role for simulating propane/air flames, using three well-established constant-volume configurations: a one-dimensional, freely propagating laminar flame; a disc-shaped, constant-volume swirl combustor; and torch-jet flame development through an orifice from a two-chamber device. We tested the explicit (sub-cycled) vs. implicit formulation for the standard transport operators (advection, diffusion, compressibility). In addition to the accurate flame swept-volume method for chemistry and species source term, we developed a more accurate estimator for the burnt/unburnt split cell composition. Then, we developed a signed-distance-function (SDF) based method which provides a more stable reinitialization of the level-set field at every time-step. We found that simplifying assumptions common to several G-Equation implementations, for straightforward terms such as compressibility and advection, lead to large errors in predicting the propagation of even laminar flames, with deviations up to ~300% in simulated vs. formulated flame speed. Conversely, the enhanced numerics enabled through the SDF field reinitialization and improved chemistry source term improve simulation stability and smooth flame propagation even with significantly larger solver time-steps.

42 ENGINEERING↗
DOE OSTI2021

Solvability, Operability, and Security for Cyber-Physical Systems: New Computational Methods with Revised Assumptions

In this paper discusses the use and integration of disparate but complementary tools for dealing with solvability, operability, and security challenges in Cyber-Physical Systems (CPSs): the Koopman Operator (KO) for solvability, Disjunctive Programming (DP) for operability, and Multi-Level Optimisation (MLO) for security. These methods can obviate the need for some of the traditional assumptions used in modelling CPSs. This paper demonstrates the methods' capabilities and considers ways to advance each method individually. It concludes by discussing how to integrate the different methods and identify useful synergies generated by doing so.

koopman operator, disjunctive programming, multi-l↗
DOE OSTI2022

Distribution Function Instead of Steady-State Assumption in Time-Series Simulation

The quasi-steady-state assumption in time-series simulation is inadequate to model phenomena of interest to energy system integration such as inverter clipping, sell-back of excess electricity to a utility and utility hosting capacity, and battery throughput. Researchers are working on stochastic modeling, higher-resolution time series data, and machine learning approaches to address this need. This poster describes a distribution function that allows a maximum value, minimum value, and shape to the curve that can vary within each time-step based only on data inputs at the resolution of that time step (eg. Hourly). The distribution function is not used to synthesize high-resolution data, rather scalar integrals are used to calculate the quantities of interest within each time step. The form of the distribution function shows significant reduction in error when compared to 1 minute data and commercial software employing the distribution function (HOMER Pro version 14.3 and higher) shows a much improved estimate of inverter clipping in an example.

battery↗
DOE OSTI2026

Influence of Shear Strength Assumptions on BISON Debonding Simulations

Accurately predicting the thermomechanical response of buffer–IPyC debonding in TRISO fuel particles requires reliable mechanical property inputs for each coating layer, particularly the normal and shear strengths that influence interlayer delamination and stress concentrations. Micro tensile testing of AGR-2 fuel particles provided experimentally measured normal strengths for the buffer, IPyC, and buffer–IPyC interface; however, shear strength was not measured. As a result, BISON simulations of interface debonding must rely on assumed shear strength values, typically estimated as 20–40% of the measured ultimate tensile strength. This study evaluates how these assumed shear strength values influence cohesive zone model (CZM) predictions of buffer–IPyC separation in AGR 2 TRISO particles. Using micro tensile data from three AGR 2 compacts (2 1 3, 5 1 3, and 6 3 3), BISON simulations were performed with multiple shear strength assumptions to quantify their effect on radial and tangential stress evolution, debonding, and gap propagation. The results show that shear strength is a high sensitivity parameter: increasing the assumed shear strength significantly alters the stress distribution at the buffer–IPyC junction, shifts the predicted debonding location, and changes the extent of partial gap formation. While normal strength controls the initiation of interface separation, shear strength strongly influences the mode mixity of the failure process and the resulting stress concentrations transmitted to the IPyC and SiC layers. These findings highlight a critical gap in current TRISO mechanical characterization. Without experimentally measured shear strength, BISON simulations must rely on approximations that introduce uncertainty into predictions of coating layer integrity and fission product barrier performance. Future fuel qualification campaigns should therefore consider measurement of shear strength at the interlayer interfaces to reduce model uncertainty and improve the fidelity of TRISO fuel performance simulations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Relaxing the constant molar overflow assumption in distillation optimization

Abstract The constant molar overflow (CMO) framework, while useful for shortcut distillation models, assumes that all components have the same latent heats of vaporization. A simple transformation, from molar flows to latent‐heat flows, allows shortcut models to retain the mathematical simplicity of the CMO framework while accounting for different latent heats, resulting in the constant heat transport (CHT) framework for adiabatic distillation columns. Although several past works have already proposed this transformation in the literature, it has not been well utilized in recent times. In this article, we show the utility of this transformation in upgrading various applications such as identifying energy‐efficient multicomponent distillation configurations based on heat duty rather than surrogate vapor flow. The method transforms the diagram to a diagram. Furthermore, we derive new and insightful analytical results in distillation, such as cumulative latent‐heat stage fractions having monotonic profiles within a distillation column under the CHT framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Assessing CLUBB PDF Closure Assumptions for a Continental Shallow-to-Deep Convective Transition Case Over Multiple Spatial Scales

Assumed-PDF (probability density function) higher-order turbulence closures (APHOCs) are now widely used for parameterizing boundary layer turbulence and shallow convection in Earth system models (ESMs). A better understanding of the resolution-dependent behavior of APHOCs is essential for improving the performance of next-generation ESMs with intended horizontal resolutions finer than 10 km. In this study, we evaluate the PDF family of Analytic double-Gaussian 1 implemented in Cloud Layers Unified By Binormals (CLUBB) over a range of spatial scales (Dx) from 2 to 100 km. A 120-km-wide large eddy simulation (LES) for a continental convection case during 2016 Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) field campaign serves as benchmark to evaluate the PDF closure using an off-line approach. We find during the shallow convection period, the CLUBB PDF closure tends to produce positive biases of cloud properties and liquid water flux near cloud base for all scales of analysis. It produces negative biases for these variables near cloud top that are more severe for Dx larger than 25 km. Results show that replacing the CLUBB-parameterized moisture and temperature skewnesses with LES-derived ones can fix most of the biases if clipping of input moments is allowed to prevent the occurrence of unrealizable solutions. Overall, the performance of the PDF closure is better for smaller Dx = 2–5 km than for larger Dx = 50–100 km; for a given grid spacing, it is better when the convective clouds become deeper in the late afternoon. Likely causes for the resolution dependence and implications for improving the PDF closure are discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Response of hypoxia to future climate change is sensitive to methodological assumptions

Climate-induced changes in hypoxia are among the most serious threats facing estuaries, which are among the most productive ecosystems on Earth. Future projections of estuarine hypoxia typically involve long-term multi-decadal continuous simulations or more computationally efficient time slice and delta methods that are restricted to short historical and future periods. We make a first comparison of these three methods by applying a linked terrestrial–estuarine model to the Chesapeake Bay, a large coastal-plain estuary in the eastern United States. Results show that the time slice approach accurately captures the behavior of the continuous approach, indicating a minimal impact of model memory. However, increases in mean annual hypoxic volume by the mid-twenty-first century simulated by the delta approach (+ 19%) are approximately twice as large as the time slice and continuous experiments (+ 9% and + 11%, respectively), indicating an important impact of changes in climate variability. Our findings suggest that system memory and projected changes in climate variability, as well as simulation length and natural variability of system hypoxia, should be considered when deciding to apply the more computationally efficient delta and time slice methods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Challenging conventional assumptions in PV: a high-throughput open-air approach to low-cost perovskite module production

Perovskite solar modules (PSMs) offer a promising pathway to low-cost photovoltaics, yet their commercialization is challenged by manufacturing scalability, device uniformity, additive costs, interlayer complexity, and module stability. This study introduces a comprehensive technoeconomic analysis of single junction PSM's and projections for tandem perovskite-Si modules that integrate all materials and manufacturing steps, module performances, projected lifetimes, and manufacturing costs across scales. Here, we highlight an open-air manufacturing approach to fabricate all active layers of serially interconnected PSMs, including electrodes and charge transport layers, enabling high-throughput production without inert or vacuum environments. The analysis reveals two orders of magnitude throughput enhancement and cost reductions of 24% in all-open-air production, escalating to over 60% at 1 GW factory capacity compared to conventional methods. Levelized cost of energy (LCOE) projections for utility-scale installations over 30 years, accounting for module replacement and recycling, demonstrate the potential to achieve the 2030 US target of $0.03 per kWh with realistic 7–11-year PSM lifetimes, outperforming incumbent silicon-based modules. Neither four terminal (4T) nor two terminal (2T) tandem-Si PSMs improve over single junction perovskite or silicon LCOE regardless of higher efficiencies at any modeled lifetime. Addressing PSM technical challenges with a cost-modeling framework guides commercialization efforts and provides a convincing pathway for challenging incumbent Si-based PV.

14 SOLAR ENERGY↗
DOE OSTI2021

Solidification dynamics in metal additive manufacturing: analysis of model assumptions

Solidification characteristics in the meltpool drive the process-microstructure relationship which helps dictate the material properties of as-built parts in additive manufacturing; therefore, being able to accurately and quickly simulate the size, shape, and solidification characteristics in the melt pool is of great interest to the field. In this study, we investigate various important physical phenomena (dynamic material properties, fluid-flow, radiation and vaporization) which can either be included or neglected in a continuum finite volume model (FVM) and their effect on the solidification conditions. Additionally, since the simplest form of such a model (conduction only) has an analytic solution which is much faster, its viability is also considered. Since the inclusion of some of these physical phenomena will inherently change the net energy input as well as the amount of energy needed to achieve melting of a control volume, each set of included phenomena had an effective absorption efficiency which was calibrated to closely match the dimensions of the melt pool to that of the ground truth data. The ground truth data for this study was defined to be the output of the FVM which included all the physical phenomena (OF). This study then goes on to compare the effects on solidification conditions each of these calibrated models has. It was found that most of the change in solidification conditions comes from the inclusion of latent heat. A posterior correlation factor (PCF) is then introduced to enable an analytic model to predict similar solidification conditions to OF model.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Variations in lithium vapor cave performance predictions due to radial transport and recycling assumptions

The lithium vapor cave is a detached divertor design that uses a single private flux region baffle to contain a dense cloud of lithium vapor to dissipate heat flux. Plasma flows are created via fuel gas puffing in order to minimize lithium contamination of the main plasma. Significant modeling using the 2D edge code SOLPS-ITER has already been performed, predicting that sufficient target heat flux reductions (q$^{max}_{Target}$ MW m −2 ) with ( $n$ Li /$n$ e ) LCFS < 0.05 is possible in a case with 90 MW m −2 unmitigated heat flux in NSTX-U. Low heat flux and low upstream concentration was found with a variety of combinations of divertor geometries, target recycling coefficients, upstream plasma parameters, lithium evaporation locations and deuterium fueling locations, with variations in performance found for each design choice. However, the most universal uncertainty of SOLPS-ITER simulations has until now remained unaddressed systematically, namely the cross-field anomalous particle and heat diffusivities. This article aims to bound the uncertainty in lithium concentration prediction as a result of the assumed deuterium cross-field transport and recycling. For the simulations presented here, a factor of 2.1 increase in the upstream lithium density prediction across a factor of four decrease to the assumed deuterium radial particle diffusivity is found. This result is compared across different assumed deuterium recycling coefficients, known to reduce with lithium injection. Upstream lithium density is found to vary by a factor of 2.4 across a feasible range of recycling coefficients at similar $n$$^{OMP,sep}_{e}$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The impact of the fiducial cosmology assumption on BAO distance scale measurements

ABSTRACT Standard analysis pipelines for measurements of Baryon Acoustic Oscillations (BAO) in galaxy surveys make use of a fiducial cosmological model to guide the data compression required to transform from observed redshifts and angles to the measured angular and radial BAO peak positions. In order to remove any dependence on the fiducial cosmology from the results, all models compared to the data should mimic the compression and its dependence on the fiducial model. In practice, approximations are made when testing models: (1) There is assumed to be no residual dependence on the fiducial cosmology after reconstruction, (2) differences in the distance–redshift relationship are assumed to match a linear scaling, and (3) differences in clustering between true and fiducial models are assumed to be removed by the free parameters used to null the non-BAO signal. We test these approximations using the current standard measurement procedure with a set of halo catalogues from the aemulus suite of N-body simulations, which span a range of wCDM cosmological models. We focus on reconstruction of the primordial BAO and locating the BAO. For the range of wCDM cosmologies covered by the aemulus suite, we find no evidence for systematic errors in the measured BAO shift parameters α∥ and α⊥ to $\lt 0.1\%$. However, the measured errors $\sigma _{\alpha _{\parallel }}$ and $\sigma _{\alpha _{\bot }}$ show a notable absolute increase by up to +0.001 and +0.002, respectively, in the case that the fiducial cosmology does not match the truth. These effects on the inferred BAO scale will be important, given the precision of measurements expected from future surveys including DESI, Euclid, and WFIRST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Checking nonflow assumptions and results via PHENIX published correlations in p+p, p+Au, d+Au, and 3 He+Au at √ s NN=200 GeV

Recently the PHENIX Collaboration has made available two-particle correlation Fourier coefficients for multiple detector combinations in minimum bias p+p and 0–5% central p+Au, d+Au, and 3 He+Au collisions at √ s NN = 200 GeV [Phys. Rev. C 105, 024901 (2022)]. Using these coefficients for three sets of two-particle correlations, azimuthal anisotropy coefficients v 2 and v 3 are extracted for midrapidity charged hadrons as a function of transverse momentum. In this paper, we use the available coefficients to explore various nonflow hypotheses as well as to compare the results with theoretical model calculations. The nonflow methods fail basic closure tests with ampt and pythia/angantyr, particularly when including correlations with particles in the low multiplicity light-projectile going direction. In data, the nonflow adjusted v 2 results are modestly lower in p+Au and the adjusted v 3 results are more significantly higher in p+Au and d+Au. However, the resulting higher values for the ratio v 3 /v 2 in p+Au at RHIC compared to p+Pb at the LHC is additional evidence for a significant overcorrection. Incorporating these additional checks, the conclusion that these flow coefficients are dominated by initial geometry coupled with final-state interactions (e.g., hydrodynamic expansion of quark-gluon plasma) remains true, and explanations based solely on initial-state glasma are ruled out. The detailed balance between intrinsic and fluctuation-driven geometry and the exact role of weakly versus strongly coupled prehydrodynamic evolution remains an open question for triangular flow, requiring further theoretical and experimental investigation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗