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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Assessment of CASL VERA for BWR analysis and application to accident tolerant SiC/SiC channel box

Application of the Virtual Environment for Reactor Applications (VERA) to BWR analysis is assessed in this paper by comparing results to those calculated using other widely-used modeling tools, namely the U.S. Nuclear Regulatory Commission’s PARCS/PATHS and the Serpent Monte Carlo particle transport code. Additionally, VERA is used to calculate 3-D temperature and fast neutron flux distributions in silicon carbide (SiC) fiber-reinforced, SiC matrix composite (SiC/SiC) BWR channel boxes, which are being studied as an Accident Tolerant Fuel core structural material concept. We found that the code-to-code comparisons were favorable, and the SiC/SiC channel box evaluation demonstrates the many advanced modeling features VERA provides while also highlighting the non-uniformity in fast neutron flux distributions that can play a role in potential SiC/SiC channel box deformation. Traditional BWR analysis tools do not have the calculation fidelity necessary for coupled assessment of flux and temperature gradients in a SiC/SiC channel box. VERA is a state-of-the-art modeling environment that was developed to increase the safety and economic competitiveness of nuclear power through improved modeling accuracy. While VERA has already been deployed in the nuclear industry for PWR applications, the current study is a vital initial step in the extensive development, validation, and verification that VERA must go through to be useful for BWR applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Coupling fast fluid dynamics and multizone airflow models in Modelica Buildings library to simulate the dynamics of HVAC systems

Multizone models are widely used in building airflow and energy performance simulations due to their fast computing speed. However, multizone models assume that the air in a room is well mixed, consequently limiting their application. In specific rooms where this assumption fails, the use of computational fluid dynamics (CFD) models may be an alternative option. Previous research has mainly focused on coupling CFD models and multizone models to study airflow in large spaces. While significant, most of these analyses did not consider the coupled simulation of the building airflow with the building’s Heating, Ventilation, and Air-Conditioning (HVAC) systems. This paper tries to fill the gap by integrating the models for HVAC systems with coupled multizone and CFD simulations for airflows, using the Modelica simulation platform. To improve the computational efficiency, we incorporated a simplified CFD model named fast fluid dynamics (FFD). We first introduce the data synchronization strategy and implementation in Modelica. Then, we verify the implementation using two case studies involving an isothermal and a non-isothermal flow by comparing model simulations to experiment data. Afterward, we study another three cases that are deemed more realistic. Furthermore, this is done by attaching a variable air volume (VAV) terminal box and a VAV system to previous flows to assess the capability of the models in studying the dynamic control of HVAC systems. Finally, we discuss further research needs on the coupled simulation using the models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Explainable Bayesian Neural Network for Probabilistic Transient Stability Analysis Considering Wind Energy

While several data-driven models have been developed for transient stability assessment, how to consider the uncertainties from load and renewable generations and provide interpretation of data-driven assessment results are still open. This paper proposes an explainable Bayesian Neural Network (BNN) for probabilistic transient stability assessment (TSA). By extracting the uncertainties from loads and wind farms, the BNN model can make a reliable prediction and quantify the prediction uncertainties. We also develop the Gradient Shap algorithm to make the global and local explanations for the probabilistic TSA model, a significant advantage over existing black-box data-driven methods. Numerical results on the modified IEEE 39-bus system show that the proposed method outperforms the existing methods in terms of prediction accuracy and uncertainty quantification capabilities. The explainability of the proposed method allows system operators to design preventive controls for enhancing system stability.

Bayesian Neural Network↗
NASA NTRS2002

A New Statistically based Autoconversion rate Parameterization for use in Large-Scale Models

The autoconversion rate is a key process for the formation of precipitation in warm clouds. In climate models, physical processes such as autoconversion rate, which are calculated from grid mean values, are biased, because they do not take subgrid variability into account. Recently, statistical cloud schemes have been introduced in large-scale models to account for partially cloud-covered grid boxes. However, these schemes do not include the in-cloud variability in their parameterizations. In this paper, a new statistically based autoconversion rate considering the in-cloud variability is introduced and tested in three cases using the Canadian Single Column Model (SCM) of the global climate model. The results show that the new autoconversion rate improves the model simulation, especially in terms of liquid water path in all three case studies.

Lin, Bing↗
DOE OSTI2026

Chemical Recommender System: Replacement Suggestions for Small Molecules

The Chemical Recommender System (CRS) is an open-source, high-performance toolkit that enables real-time similarity searches across the complete PubChem database (over 50 million molecules) using commodity hardware. The CRS addresses critical limitations in existing chemical informatics platforms through a novel vector database infrastructure, extensible model integration capabilities, and complete algorithmic transparency. The system implements a vector database deployment with partitioned indexing that achieves a ~60x speedup over traditional approaches. A containerized model integration framework allows researchers to seamlessly incorporate custom predictive models into the full-scale search and scoring pipeline, while complete configurability of search parameters, filtering logic, and scoring functions provides capabilities not available in existing black-box solutions. Beyond structural similarity, the CRS integrates OPERA QSAR models for thermophysical and toxicity predictions, RDKit synthetic accessibility scoring, and user-defined models to compute weighted final replacement scores. The complete system is accessible through an interactive web application supporting real-time progress monitoring, post-processing score re-weighting, automated PDF reporting, and batch processing capabilities.

Nair, Parthiv Anand [Sandia National Laboratories ↗
NASA NTRS1999

Unifying Model-Based and Reactive Programming within a Model-Based Executive

Real-time, model-based, deduction has recently emerged as a vital component in AI's tool box for developing highly autonomous reactive systems. Yet one of the current hurdles towards developing model-based reactive systems is the number of methods simultaneously employed, and their corresponding melange of programming and modeling languages. This paper offers an important step towards unification. We introduce RMPL, a rich modeling language that combines probabilistic, constraint-based modeling with reactive programming constructs, while offering a simple semantics in terms of hidden state Markov processes. We introduce probabilistic, hierarchical constraint automata (PHCA), which allow Markov processes to be expressed in a compact representation that preserves the modularity of RMPL programs. Finally, a model-based executive, called Reactive Burton is described that exploits this compact encoding to perform efficIent simulation, belief state update and control sequence generation.

Williams, Brian C.↗
DOE OSTI2021

ABACUSSUMMIT : a massive set of high-accuracy, high-resolution N -body simulations

We present the public data release of the AbacusSummit cosmological N-body simulation suite, produced with the Abacus N-body code on the Summit supercomputer of the Oak Ridge Leadership Computing Facility. Abacus achieves $\mathcal {O}(10^{-5})$ median fractional force error at superlative speeds, calculating 70M particle updates per second per node at early times, and 45M particle updates per second per node at late times. The simulation suite totals roughly 60 trillion particles, the core of which is a set of 139 simulations with particle mass $2\times 10^{9}\, h^{-1}\, \mathrm{M}_\odot$ in box size $2\, h^{-1}\, \mathrm{Gpc}$. The suite spans 97 cosmological models, including Planck 2018, previous flagship simulation cosmologies, and a linear derivative and cosmic emulator grid. A subsuite of 1883 boxes of size $500\, h^{-1}\, \mathrm{Mpc}$ is available for covariance estimation. AbacusSummit data products span 33 epochs from z = 8 to 0.1 and include light cones, full particle snapshots, halo catalogues, and particle subsets sampled consistently across redshift. AbacusSummit is the largest high-accuracy cosmological N-body data set produced to date.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Transport model comparison studies of intermediate-energy heavy-ion collisions

Transport models are the main method to obtain physics information on the nuclear equation of state and in-medium properties of particles from low to relativistic-energy heavy-ion collisions. The Transport Model Evaluation Project (TMEP) has been pursued to test the robustness of transport model predictions in reaching consistent conclusions from the same type of physical model. To this end, calculations under controlled conditions of physical input and set-up were performed with various participating codes. These included both calculations of nuclear matter in a box with periodic boundary conditions, which test separately selected ingredients of a transport code, and more realistic calculations of heavy-ion collisions. Over the years, six studies have been performed within this project. In this intermediate review, we summarize and discuss the present status of the project. We also provide condensed descriptions of the 26 participating codes, which contributed to some part of the project. These include the major codes in use today. After a compact description of the underlying transport approaches, we review the main results of the studies completed so far. They show, that in box calculations the differences between the codes can be well understood and a convergence of the results can be reached. These studies also highlight the systematic differences between the two families of transport codes, known under the names of Boltzmann–Uehling–Uhlenbeck (BUU) and Quantum Molecular Dynamics (QMD) type codes. However, when the codes were compared in full heavy-ion collisions using different physical models, as recently for pion production, they still yielded substantially different results. This calls for further comparisons of heavy-ion collisions with controlled models and of box comparisons of important ingredients, like momentum-dependent fields, which are currently underway. Furthermore, our evaluation studies often indicate improved strategies in performing transport simulations and thus can provide guidance to code developers. Results of transport simulations of heavy-ion collisions from a given code will have more significance if the code can be validated against benchmark calculations such as the ones summarized in this review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1984

Geometric modeling of large space antenna deployment

A dynamic visualization of large antenna deployment was created to be used as a precursor to further analysis of the structure as it is being deployed. The configuration chosen for this investigation was a box-truss structure consisting of a large reflector 60 meters wide by 120 meters long with a 120-meter mast. The entire space structure is folded and compressed into a container 17.8 meters long by 3.75 meters in diameter for transportation to orbit by the Space Transportation System (STS). A geometric model of this structure was created using an interactive solid modeling package. The building blocks of the structure are boxes and cylinders which are put together to form elements connected by joints and hinges. The elements, joints, and hinges make up the box-truss structure. The geometric model was then passed to the MOVIE.BYU software package. The "utility" module of this program was used to manipulate the elements of the structure to represent 13 different stages of deployment. The "animate" command was then used to create a smooth sequence between stages. Each step in the sequence was recorded on magnetic tape and a short movie was produced.

Nazemetz, J.↗
NASA NTRS1993

Mapping of the Ronda peridotite massif (Spain) from AVIRIS spectro-imaging survey: A first attempt

In both AVIRIS and ISM data, through the use of mixing models, geological boundaries of the Ronda massif are identified with respect to the surrounding rocks. We can also yield first-order vegetation maps. ISM and AVIRIS instruments give consistent results. On the basis of endmember fraction images, it is then possible to discard areas highly vegetated or not belonging to the peridotite massif. Within the remaining part of the mosaic, spectro-mixing analysis reveals spectral variations in the peridotite massif between the well-exposed areas. Spatially organized units are depicted, related to differences in the relative depth of the absorption band at 1 micron, and it may be due to a different pyroxene content. At this stage, it is worth noting that, although mineralogical variations observed in the rocks are at a sub-pixel scale for the airborne analysis, we see an emerging spatial pattern in the distribution of spectral variations across the massif which might be prevailingly related to mineralogy. Although it is known from fieldwork that the Ronda peridotite massif exhibits mineralogical variations at local scale in the content of pyroxene, and at regional scale in different mineral facies, ranging from garnet-, to spinel- to plagioclase-lherzolites, no attempt has been done yet to produce a synoptic map relating the two scales of analysis. The present work is a first attempt to reach this objective, though a lot more work is still required. In particular, for the purpose of mineralogical interpretation, it is critical to relate the airborne observation to field work and laboratory spectra of Ronda rocks already obtained, with the use of image endmembers and associated reference endmembers. Also, the pretty rough linear mixing model used here is taken as a 'black-box' process which does not necessarily apply correctly to the physical situation at the sub-pixel level. One may think of using the ground-truth observations bearing on the sub-pixel statistical characteristics (texture, structural pattern, surface distribution and vegetation contribution (grass,..)) to produce a more advanced mixing model, physically appropriate to the geologic and environmental contexts.

Pinet, P. C.↗
DOE OSTI2016

Indirect searches of dark matter via polynomial spectral features

We derive the spectra arising from non-relativistic dark matter annihilations or decays into intermediary particles with arbitrary spin, which subsequently produce neutrinos or photons via two-body decays. Our approach is model independent and predicts spectral features restricted to a kinematic box. The overall shape within that box is a polynomial determined by the polarization of the decaying particle. We illustrate our findings with two examples. First, with the neutrino spectra arising from dark matter annihilations into the massive Standard Model gauge bosons. Second, with the gamma-ray and neutrino spectra generated by dark matter annihilations into hypothetical massive spin-2 particles. Our results are in particular applicable to the 750 GeV diphoton excess observed at the LHC if interpreted as a spin-0 or spin-2 particle coupled to dark matter. We also derive limits on the dark matter annihilation cross section into this resonance from the non-observation of the associated gamma-ray spectral features by the H.E.S.S. telescope.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Optimization study of B4C filter thickness for shifting to fast spectrum at experimental position in NRAD core

The Japan Atomic Energy Agency (JAEA) has investigated an accelerator-driven system (ADS) to transmute minor actinides (MAs) partitioned from the high level waste. In the nuclear transmutation system such as the ADS, the nuclear data validation of MA is required to reduce the uncertainty caused by the nuclear data of MA. In order to validate the nuclear data, many independent experimental data need to be mutually compared. The Idaho National Laboratory (INL) considers the measurement of fission rate ratio and sample worth with a wide spectral indices by inserting several types of thermal neutron shielding filters in the experimental position in Neutron RADiography (NRAD) which is the thermal neutron reactor. The JAEA has a plan to perform integral experiments with fission chambers in the NRAD because of the expansion of the experimental data contributing to nuclear data validation of MA. In this study, the optimization of the NRAD core configuration, the B4C filter thickness, and the experimental position design was conducted to acquire the high-accuracy and the beneficial experimental data by using MCNP 6.1 and ENDF/B-VII.1. First, by locating the experimental position as close to the center of the core as possible and concentrating the fuel around that position, the neutron flux of the optimized model could be constructed 2.5 times as much as that of the previous model. Second, the optimized B4C filter thickness was determined to be 3mm based on the comprehensive evaluation from the viewpoints of the shielding ability of low energy neutrons, the level of the total neutron flux, and the influence of fabrication accuracy of the B4C filter. Third, we constructed the experimental position model that could further reduce the influence of the low energy neutrons by adopting the aluminum dry box and the bottom filter. Moreover, the neutron energy spectrum of the tentative optimized model constructed by following the above results was compared with that of the fast neutron reactors such as the ADS and the Fast Critical Assembly (FCA). As a result, the tentative optimized model would be able to be obtained the beneficial experimental data for the verification of FCA-IX series data and the validation of MA nuclear data for accuracy improvement of ADS design. Furthermore, the adoption of the tentative optimized model would be acquired the experimental data such as fission reaction rate and sample worth with the wider spectral indices than the previous one because the tentative optimized model would be able to increase the ratio of the fast neutrons by almost completely eliminating the effect of the thermal neutrons.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2005

NASA Technical Interchange Meeting (TIM): Advanced Technology Lifecycle Analysis System (ATLAS) Technology Tool Box

The objective of this Technical Interchange Meeting was to increase the quantity and quality of technical, cost, and programmatic data used to model the impact of investing in different technologies. The focus of this meeting was the Technology Tool Box (TTB), a database of performance, operations, and programmatic parameters provided by technologists and used by systems engineers. The TTB is the data repository used by a system of models known as the Advanced Technology Lifecycle Analysis System (ATLAS). This report describes the result of the November meeting, and also provides background information on ATLAS and the TTB.

ONeil, D. A.↗
NASA NTRS1981

Computation of unsteady turbulent boundary layers with flow reversal and evaluation of two separate turbulence models

A procedure which solves the governing boundary layer equations within Keller's box method was developed for calculating unsteady laminar flows with flow reversal. This method is extended to turbulent boundary layers with flow reversal. Test cases are used to investigate the proposition that unsteady turbulent boundary layers also remain free of singularities. Turbulent flow calculations are performed. The governing equations for both models are solved. As in laminar flows, the unsteady turbulent boundary layers are free from singularities, but there is a clear indication of rapid thickening of the boundary layer with increasing flow reversal. Predictions of both turbulence models are the same for all practical purposes.

Cebeci, T.↗
DOE OSTI2020

Impact of control blade insertion on the deformation behavior of SiC-SiC channel boxes in BWRs

This article describes the analysis of distortion of a silicon carbide fiber-reinforced, silicon carbide matrix (SiC-SiC) composite channel box under in-reactor conditions of a boiling water reactor (BWR). The BWR core has significant gradients in the fast neutron flux across the channel box due to the presence of water rods within the fuel assemblies, and these gradients increase further with the insertion of control blades. As a result of the temperature and neutron flux dependent irradiation-induced swelling of SiC, the SiC-SiC composite channel box can undergo distortion. In this work, we evaluate the SiC-SiC channel box distortion for three different control blade positions. This analysis is based on the neutron flux and temperature distributions in the BWR core calculated using the neutronics code MPACT and thermal-hydraulics code CTF. This calculation is coupled through temperature feedback. Subsequently, we have performed structural analysis based on the calculated neutron flux and temperature distributions to determine the deformation and stress development in the channel box. The structural analysis was performed using the fuel performance modeling code BISON and the commercial finite element analysis software Abaqus. The results indicate that large gradients in fast neutron flux (up to 35–40% across a single axial level) will develop across the channel box. Due to these gradients, the channel box will undergo time-dependent bending for all the control blade positions in the assembly. The time-dependent bowing behavior is dominated by the transient swelling of SiC-SiC material under non-uniform neutron flux, and changes with variation in the control blade position. The bending will cause temporary interference between the channel box and control blade, and the interference is expected to be most severe for the fully inserted control blade position. The developed stresses due to differential swelling in the channel box exceed the proportional limit stress of the material, which may cause matrix microcracking in the channel box. However, the stresses remain below the tensile strength of the material, and therefore, development of a full, through-thickness crack in the channel box is not expected. Finally, further work is recommended to explore and evaluate the mitigation strategies.

42 ENGINEERING↗
NASA NTRS2005

Advanced Technology Lifecycle Analysis System (ATLAS) Technology Tool Box (TTB)

The Advanced Technology Lifecycle Analysis System (ATLAS) is a decision support tool designed to aid program managers and strategic planners in determining how to invest technology research and development dollars. It is an Excel-based modeling package that allows a user to build complex space architectures and evaluate the impact of various technology choices. ATLAS contains system models, cost and operations models, a campaign timeline and a centralized technology database. Technology data for all system models is drawn from a common database, the ATLAS Technology Tool Box (TTB). The TTB provides a comprehensive, architecture-independent technology database that is keyed to current and future timeframes.

Doyle, Monica↗
DOE OSTI2016

Validation of the Modelling of Corrosion Driven Expansion in Grouted Waste-forms - 16125

One of the current preferred solutions for the disposal of Intermediate Level radioactive waste in the UK is grout encapsulation inside steel boxes for long term storage. These boxes are then to be entombed in a Geological Disposal Facility once one is available. However, both prior to and during geological disposal, waste contents can react with the water present in the encapsulant grout and begin to corrode. This corrosion product occupies a larger volume (by several hundred percent) than the original material and the corrosion occurs over the course of decades and centuries, long after the encapsulant grout has set and hardened. The expanding waste then creates stresses in the encapsulant causing both it and the surrounding box to deform and, in extreme circumstances, and after long times, for the structural integrity of the box to fail. This behaviour needs to be quantified before the box can be approved for use as any excessive deformation could lead to a loss of containment or, since the boxes are stacked on top of each other, to a significant accident in the stores. Due to the long timescales involved, physical testing of the phenomenon in full scale is impossible. Instead, a combination of chemical modelling and finite element analysis is used to predict the extent of the corrosion in the waste and its effect of the integrity of the box. There are a number of difficulties in modelling the corrosion-driven expansion and subsequent deformation of the boxes. Although the corrosion occurs over a very long time scale, the event is highly non-linear and dynamic. All of the material models, including the steel and grout are non-linear. The deformation is in the order of 10s of centimetres, well beyond the static elastic range. Finally, the components must be allowed to move relative to each other which involve a lot of part to part contacts. This means that simple static modelling, which would solve quite quickly, cannot be used. Instead a dynamic analysis code, LS-DYNA, has been used to expand the product over time to simulate the corrosion-driven expansion. This software is generally used for modelling car crashes or scenarios where waste containers have been dropped. The analyses therefore include a significant inertial component. This paper will detail the NNL's approach to modelling this long-term, quasi-static phenomenon in the dynamic, impact oriented software code LS-DYNA. It will cover the problems inherent in this approach, the errors that it creates as well as the tests and solutions that NNL worked on in order to overcome them and be confident that the solution could be validated. This work will ultimately be used to determine the maximum inventory which can be stored in each box based on the waste content and the potential extent of expansion as well as any modification that could be made to the box design or the processing streams that may improve the storage solution. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Uncertainty quantification of fireball features extracted from nuclear test films using computer vision

Films from the US’s historic nuclear testing era comprise the only extensive collection of imagery depicting high-yield detonations. These films offer unique insights into the characteristics of flows occurring on scales that are difficult to replicate experimentally, and they are a valuable source of data for the validation of models used to describe nuclear detonations. In recent work, we implemented modern computer vision and machine learning techniques to extract features of the fireball following nuclear detonation. With a training dataset of fireball films, we fine-tuned a You Only Look Once 11 (YOLO11) model to detect and track the fireball. Applied to a video, the outer bounding box produced in each frame by YOLO11 is used as an input prompt to Meta’s Segment Anything Model 2 (SAM2), which is shown to accurately predict the boundary of the fireball over time with high resolution. These state-of-the-art computer vision foundation models exhibit impressive visual accuracy in their results but lack an output of values that robustly quantify uncertainty in scientific applications. In this paper, we develop procedures for uncertainty quantification of extracted fireball features. We outline the application of a parallel attention mechanism to calculate uncertainty ranges that complement and better pose model validation data. This higher quality fireball validation data may serve to improve prognostic models describing nuclear detonations in support of nuclear forensic and emergency response activities.

Khristy, Joel [ORNL] (ORCID:0000000209963060)↗