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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 1,027 records · Page 57

Multiphysics Modeling in Support of NASA Nuclear Thermal Propulsion Designs

This presentation provides and overview of INL and some of the work we do, but focuses on analysis and methods at INL being performed in support of NASA nuclear thermal propulsion. This presentation will be given at department seminars at Texas A&M University and at Georgia Tech.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Thermal Analysis of the SIRIUS3 Nuclear Propulsion Fuel Calibration Experiment

NASA is considering Nuclear Thermal Propulsion (NTP) for long range extraterrestrial missions; these engines eject hot hydrogen gas heated by a nuclear reactor for rocket thrust. To economize the use of hydrogen to the greatest extent possible, the NTP engines will be expected to, in a very short time (i.e., on the order of a minute or less), go from warm$(\sim 300 K)$ zero power conditions to full operational power, with a coolant outlet temperature on the order of 2700–3000 K \cite{en15176181}. These conditions will introduce significant thermomechanical stresses on the NTP fuel. The objective of the SIRIUS series of experiments is to examine the performance of candidate NTP fuel materials when subjected to temperature ramp rates that are prototypical of NTP system startup and operation. The SIRIUS experiments are a series of experiments that will be irradiated in the TREAT reactor and are subjected to power ramps and cycles that are prototypical for NTP operation. The experiments will be accomplished by executing a series of shaped transients on the SIRIUS specimens while collecting in situ specimen temperature data. These tests will determine whether operational startup ramps and peak temperatures will result in detrimental fuel performance phenomena (i.e. fuel deformation, fragmentation and cracking) To this end, INL has been evaluating a number of SIRIUS experiments, and these evaluations include thermal analysis of the SIRIUS experiments. Thermal analysis were performed for the calibration irradiation of the SIRIUS-3 experiment, and the focus of this memo is to document the results from the calibration irradiation thermal analysis. The thermal analysis reveals that radiation heat emission of the outer fuel elements and conduction to different metal components such as the molybdenum element tubes remove significant quantities of heat from the fuel element specimen, and future experiment designs need to consider these heat transfer mechanics. This paper begins with a brief experiment overview with a discussion of the fuel sample and experiment configuration. The experiment and model description section is followed by a set of results with a brief discussion, and finally the memo concludes with suggestion for future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Update on NNL TSL Validation Efforts [Slides]

This presentation covers how a new sub-thermal neutron transmission capability at RPI LINAC is now in use to help validate TSL evaluations. Additionally, NNL has contributed multiple material evaluations to ENDF/B-VIII.1. Lastly, this presentation covers new methods to improve TSL physics and accuracy are being formulated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Advancements in Validation of TSLs through Inelastic Neutron Scattering and Transmission Measurements [Abstract]

Historically, the free gas approximation has been used to treat the thermal scattering of neutrons with energies below a few electron-volts (eV) in unevaluated materials. However, this method inadequately reproduces neutron scattering at these energies. Until recently, only a limited number of materials had available thermal scattering law (TSL) files/libraries in the ENDF nuclear data libraries in this energy range. With advancements in atomistic modeling techniques, such as molecular dynamics, ab-initio molecular dynamics, and density functional theory, TSL libraries have become available for many more materials. This is particularly relevant due to the rising interest in several advanced reactor systems that require novel moderator and reflector materials. While quasi-integral and integral benchmarks have been designed to validate historically important moderator materials (such as light water and polyethylene), there is currently a lack of standard validation methods for TSLs, especially when multiple conflicting TSLs exist. To address this issue, the Oak Ridge National Lab Nuclear Data group has been working on utilizing inelastic neutron scattering (INS) measurements combined with transmission (i.e., total cross section) measurements to evaluate and validate TSLs for different materials. We plan to demonstrate how this method has worked on materials such as polyethylene, lucite, and polystyrene. In addition, we will compare the newly created libraries to ENDF libraries for these materials and explain why integral benchmarks should not be used for validation when multiple TSLs exist.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Advancing the Theory of Nuclear Data Evaluations [Abstract]

We present recent advances in the R-matrix formalism as well as the Bayesian evaluation framework for improved nuclear data evaluations. The advances in the R matrix formalism include: 1) direct processes, 2) doorway, as well as multistep, processes, and 3) various forms of the Reich-Moore approximation for eliminated capture channels. Furthermore, to address unreasonably small posterior uncertainties often encountered in nuclear data evaluations of large data sets using the conventional form of the Bayes’ theorem, we introduce imperfections (of the data or the model) as a formal evaluation tool for taming the evaluated uncertainties in harmony with Bayes’ theorem. These theoretical advances were motivated by the nuclear data evaluations of differential resolved resonance cross section data using the code SAMMY, as well as the integral benchmark experiments using the SCALE code system, being performed at Oak Ridge National Laboratory for the Nuclear Criticality Safety Program. Some pedagogical applications of the new formalism, as well as a snapshot of the SAMMY modernization efforts, will be presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity of ATF Experiments in the Center Flux Trap of the Advanced Test Reactor to Adjacent Experiments

Irradiation experiments conducted in the Idaho National Laboratory’s Advanced Test Reactor are typically assumed to have little effect on one another. This assumption does not hold true for certain experiments in close proximity. To evaluate the impacts on safety and programmatic parameters of experiments in the center flux trap, the contents of the adjacent H and inner-A positions were modeled with a range of possible irradiation targets. First, neutron flux maps with experiments in those positions were compared against a baseline configuration. Next, several safety and programmatic parameters for a generic accident-tolerant fuel test train were calculated. It was shown that these parameters can exhibit considerable sensitivity to the contents of the H and A experiment positions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Excited-State and Nonadiabatic Molecular Dynamics Methods with Broad Applicability

Electronically excited states play a pivotal role in the capture, transformation, storage, and emission of radiative energy. Despite much recent progress for small model systems, excited state properties and dynamics in many larger molecular devices and materials have remained elusive for experiment and theory. Nonadiabatic transitions between electronic states turn radiative energy into heat and are particularly difficult to control. This project aims to develop new electronic structure and nonadiabatic molecular dynamics (NAMD) methods to simulate, predict, and ultimately control the flow and transformation of excitation energy in a wide-range of light-driven molecular devices such as dyes, photocatalysts, and fluorescence emitters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predicting Safety Rod Reactivity Insertion in the Advanced Test Reactor

The Advanced Test Reactor (ATR), and complimentary zero-power ATR Critical (ATRC) reactor, located at Idaho National Labs (INL), are undergoing conversion from Highly Enriched Uranium (HEU) to Low Enriched Uranium (LEU). Both have a variety of testing locations that can receive large variations in flux due to its unique serpentine design, consisting of five lobes surrounding nine flux traps (see Figure 1). Initial criticality and power distribution throughout the core are controlled by core-external outer shim control cylinders (OSCCs). Distinct test loops allow for testing at specific temperatures, pressures, and irradiation conditions such as flux and fission density. The ATR is one of the key nuclear engineering research and testing facilities within the DOE National Laboratory Complex, and the ATRC supports its operation [1]. Currently, the Office of Material Management and Minimization (M3) within the National Nuclear Security Administration of the DOE is working to convert the remaining research reactors, including the ATR, from 93% HEU fuel to 19.75% LEU fuel (LEU) to support non-proliferation [2]. Extensive materials testing at INL and internationally has demonstrated that a high-density uranium molybdenum (U 10Mo) alloy can meet the performance requirements of the remaining high powered research reactors. The current LEU fuel element design is named the LOWE element. However, there are many technical challenges to address before the conversion to LEU can be successful, including the accurate characterization of the reactor core physics with LEU fuel. To ensure safe operation of the ATR, reactor engineers prepare a CSAP (Core Safety Assurance Package) before each cycle. The purpose of the CSAP is to verify the reactor performance calculation used to determine if the selected fuel loading meets operational, experimental, and safety criteria. Many of the criteria in the CSAP are limits on reactivity insertion in various accident scenarios.

42 ENGINEERING↗

Recent MOOSE Update Slides for a DOE CI visit

This is an updated slide deck for which much of the content has been previously cleared. This slide deck incorporates recent NRIC Virtual Test Bed work with several updates on modeling and simulation of benchmark advanced reactor problems. Note that none of the models or results contained within these slides is proprietary. Many of these have been openly published on the Virtual Test Bed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Validation and Verification of Python based Neutron Spectrum Unfolding Software

To validate and verify the python-based code (PySL), designed to replicate the programs used by STAYSL for Beam Correction Factor (BCF) and Self-Shielding Factor (SHIELD), a series of tests were performed. To test BCF a python script was written to generate a random flux history file and both versions of the code processed the data. The test verified matching values up to at least one decimal place, approximately 10,000 tests where run and each one passed. Isotopes began to fail the tests once neutron saturation was reached. To verify this the total time of exposure was varied the isotopes that failed were compared to a list of their half-lives. The test process for SHIELD was very similar but, in this case, the code began by producing an input file with varying thickness and device type/environment for the SHIELD input. The failure condition for this test was if any of the data points for an isotope had a difference above 3%. Approximately 40 of these tests were run and there were only 3 isotopes that had reoccurring failures but only 2% of their points were above the 3% difference. A visual comparison was conducted by plotting the results from both programs. Although the test failed, the differences between their values were minuscule, and the self-shielding factor’s shape was preserved when plotted. Next steps for this project will be validating and verifying the python-based SigPhi code and then reproducing and testing the least squares unfolding performed by STAYSL.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

B-PINNs: Bayesian Physics-informal Neural Networks for Forward and Inverse PDE Problems with Noisy Data

We propose a Bayesian physics-informed neural network (B-PINN) to solve both forward and inverse nonlinear problems described by partial differential equations (PDEs) and noisy data. In this Bayesian framework, the Bayesian neural network (BNN) combined with a PINN for PDEs serves as the prior while the Hamiltonian Monte Carlo (HMC) or the variational inference (VI) could serve as an estimator of the posterior. B-PINNs make use of both physical laws and scattered noisy measurements to provide predictions and quantify the aleatoric uncertainty arising from the noisy data in the Bayesian framework. Compared with PINNs, in addition to uncertainty quantification, B-PINNs obtain more accurate predictions in scenarios with large noise due to their capability of avoiding overfitting. We conduct a systematic comparison between the two different approaches for the B-PINNs posterior estimation (i.e., HMC or VI), along with dropout used for quantifying uncertainty in deep neural networks. Our experiments show that HMC is more suitable than VI with mean field Gaussian approximation for the B-PINNs posterior estimation, while dropout employed in PINNs can hardly provide accurate predictions with reasonable uncertainty. Finally, we replace the BNN in the prior with a truncated Karhunen-Loève (KL) expansion combined with HMC or a deep normalizing flow (DNF) model as posterior estimators. The KL is as accurate as BNN and much faster but this framework cannot be easily extended to high-dimensional problems unlike the BNN based framework.

Non linear PDEs, Noisy data, Bysian physics inform↗