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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The Monolithic Heat Pipe Microreactor Reference Plant Model

This work introduces a reference plant model for a generic monolithic heat-pipe-cooled microreactor. The model will serve as a springboard to develop future evaluation models in the licensing process of similar microreactor designs at the U.S. Nuclear Regulatory Commission. This model has been developed with the Comprehensive Reactor Analysis Bundle and its specifications are based on open literature publications for the eVinci TM design. BlueCRAB is the U.S. Nu- clear Regulatory Commission non-light-water reactor analysis system based on the Multiphysics Object-Oriented Simulation Environment framework, which can couple the Griffin, BISON, and Sockeye applications to resolve the various physics that are essential for the safety analysis of this type of reactor system. The core specifications includes tristructural isotropic fuel, graphite monolith, graphite reflectors, and drums composed of graphite and B 4 C. No moderator or burnable poison pins are used in the design. The fuel enrichment is reduced to control excess reactivity in the core. This core design is not optimized and only serves for testing purposes, since the primary objective of this work is to exercise the multiphysics coupling for this type of reactor system. A three dimensional (3D) core heterogeneous Griffin discrete ordinates (SN) transport model allows the precise calculation of the flux distribution and pin powers. Griffin transfers the power density distribution and obtains a temperature distribution to and from BISON. The BISON model com- putes the 3D core temperature distribution and is coupled to 876 Sockeye subapplications running a heat pipe model. This 3D conduction model is coupled to the various heat pipes via heat flux boundary conditions. The model includes a small gap between the heat pipe and the monolith. Convective heat transfer boundaries with either ambient temperature or condenser temperature as heat sinks are imposed at the model boundaries. The 2D Sockeye heat pipe model uses a vapor- only methodology, which provides the needed resolution for transient calculations and allows the determination of various heat pipe limits. This approach is superior to the superconductor model traditionally used in steady-state calculations. BlueCRAB computes steady-state power and temperature distributions that serve as the initial condition for a loss-of-heat-sink transient simulation. The steady-state results show significant peaking due to the position of the control drum, but this is a characteristic of the particular design used, which is not optimized at this stage. The transient results show the reactor power slowly stabilizing towards a 3% power level after the partial loss of secondary heat removal. Several recriticalities are observed due to cooling through the secondary system but the reactor is self-stabilizing and behaves as expected.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Quantitative interpretation of time-lapse seismic data at Farnsworth field unit: Rock physics modeling, and calibration of simulated time-lapse velocity responses

Here, this study investigates the contribution of fluid saturation variation to the time-lapse velocity response by performing fluid substitution modeling. The methodology is exemplified by the time-lapse seismic monitoring of carbon dioxide at Farnsworth field unit (FWU). In order to evaluate the fluid distribution in a matured oil reservoir, the Southwest Regional Partnership (SWP) acquired multiple vertical seismic profile (VSP) surveys at different times during the CO 2 –water alternatinggas (WAG) injection period. In this work, we present a thorough methodology for computing the elastic response of the saturated rock for different fluid saturations using a site-specific petro-elastic model (PEM). The output from the PEM was combined with results from a fluid compositional model to compute the seismic velocities at times corresponding to each VSP survey. To produce a calibrated simulated response, the measured time-lapse seismic velocities were integrated into the numerical simulation model. The mismatches between the predicted and measured time-lapse velocities were minimized through an iterative calibration process using a trained artificial neural network proxy (ANN) coupled with a particle swarm optimizer (PSO). Our study indicates that the hybrid optimization workflow can effectively perform the history matching. With an accurate prediction of the hydrodynamic properties, the migration of CO 2 within the subsurface was modeled by predicting the spatial velocity distribution for a radius of 305 m around the injection well. The technology demonstrated and the expertise gained from this study can guide similar CO 2 -WAG projects.

58 GEOSCIENCES↗
DOE OSTI2023

Neutronics Calculations for EBR-II Run 137E

Neutronics calculations were performed for EBR-II Run 137E using MC2 -3/TWODANT, DIF3D, and PERSENT codes. Parameters required for system safety analysis such as the reactivity feedback coefficients and core power distribution were evaluated. The detailed results are provided in the accompanying Excel spreadsheet Run_137E_Neutronics_Results.xls. This report describes the core model of EBR-II at the beginning of Run 137E, the computation methodology, and how to interpret the results listed in the Excel spreadsheet.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

baseflow: a MATLAB and GNU Octave package for baseflow recession analysis

baseflow is a MATLAB® toolbox designed for baseflow recession analysis, a technique used in hydrologic science to infer aquifer properties from streamflow. By leveraging widely available streamflow data, baseflow can be used to estimate aquifer properties such as hydraulic conductivity and drainable porosity over the modern instrumental stream gage record. The toolbox is intended for analysis of measured streamflow values recorded on a daily timestep, and is tailored for shallow, unconfined riparian aquifers that discharge groundwater laterally into adjacent streams. Additionally, baseflow can analyze the collective behavior of individual hillslope aquifers constituting hydrologic catchments, known as “watersheds”, from a nonlinear dynamical systems perspective. The toolbox incorporates recent advances in baseflow recession analysis to enable objective estimations of aquifer properties, and their sensitivity to methodological decisions, at both hillslope and catchment scales.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Modeling of the TRIGA IPR-R1 research reactor with the Serpent2/RINNOVO Nodal core analysis package

The Serpent2/RINNOVO nodal core analysis code system, a dedicated tool for modeling research reactors, has the capability to accurately predict important core physics parameters involved in the safety of reactor operation, such as various reactivity coefficients, control rod and bank worths including the shutdown margin, power distributions as well as local neutron flux predictions at various core locations of high importance, e.g., at irradiation rigs. In this work, a hexagonal model of the unrodded initial core of the Brazilian IPR-R1 Mark I type TRIGA nuclear reactor has been created using the Serpent2/RINNOVO code system. The choice of employing a hexagonal core geometry representation has mainly been made to facilitate subsequent fuel shuffling operations and core follow calculations of this reactor. Numerical results in terms of the core eigenvalue and the assembly power distribution have then been compared against corresponding full core Serpent2 results to prove feasibility of using the Serpent2/RINNOVO code system for modeling small and highly heterogeneous TRIGA reactors. Overall, RINNOVO predicts the power distribution very accurately but the eigenvalue error still remains quite large. In light of being the very first evaluation of a TRIGA reactor with the RINNOVO nodal core simulator, these results are also considered to be very preliminary. Improved accuracy is expected by incorporating a proper methodology in the current code system for computing discontinuity factors for multi-assembly configurations. Furthermore, improved results are expected by increasing the number of energy groups used by RINNOVO in these core calculations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Distributed Rules-Based Deconfliction of ADMS Applications: Part 1: Requirements & Decomposition

This work introduces a rules-based deconfliction methodology for resolving conflicting device control commands issued by advanced power applications considering a range of technical, economic, environmental, and social objectives. The methodology is designed to serve as one of multiple alternative implementations (along with application cooperation and global optimization) for the numerical component of the Deconfliction Pipeline. Development of the methodology is divided into two parts. This first document introduces the requirements, context, and methods for decomposing the deconfliction problem using the Laminar Coordination Framework and Variable Grid Structures. The deconfliction problem is decomposed into a distributed optimization problem based on the concept of quasi-static grid segments, which form independent distributed areas for control and coordination. Selection of the optimal number of decompositions of the deconfliction problem should be made based on a tradeoff analysis between computational speed and global optimality. This second document will define an initial set of technical, economic, and environmental criteria, as well as thirty specific qualitative rules that are used as part of the deconfliction methodology to eliminate non-viable setpoint alternatives. The deconfliction optimization problem is converted into a ranking of individual discrete setpoints, which are scored by the extent to which they satisfy specific decision criteria. The ranking is determined through the concepts of deconfliction exclusivity, priority, and preference. Several multi-criteria decision-making frameworks are examined with the simple multi-attribute rating technique exploiting ranks (SMARTER) recommended as a simple implementation alternative that aligns with the steps of the rules-based deconfliction methodology.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A consistent, Bayesian, approach to the cross section probability distribution in the unresolved resonance region

The cross sections of neutron-induced reactions can be divided into three energy ranges: the resolved resonance region (RRR), the unresolved resonance region (URR), and the fast region. In general, the cross sections in the URR show significant fluctuations that cannot be predicted and cannot be experimentally resolved, thus, it is commonly assumed that the cross section at a specific energy is given by a probability distribution function (PDF) over a range of values that can span several orders of magnitude. The current methodology used to describe such behavior is to construct the PDF by stochastically generating resonance ladders and numerically measuring the PDF. The resonance ladders are sampled using known resonance statistical properties and average resonance widths and spacings extrapolated from the RRR. Although this is a standard and widely used technique, it is computationally very expensive, therefore, an alternative, analytical, approach would be preferable due to the considerable speed up of the computational time in real life applications. Moreover, the current methodology does not take into account existing experimental data, such for total and capture cross sections, that are available for many nuclei. Finally, this approach was developed to be used in reactor-scale applications and it is not suited for use in single-event applications. In this work we will rethink the entire approach to the PDF construction using a Bayesian mindset. This will allow us to provide a different definition of the PDF that allows a much faster calculation of the higher-temperature PDFs and a proper combination of theoretical and experimental PDFs following the probability theory. We will also show that our definition is well suited for single-event applications and we will make an explicit connection between our method and the standard approach. We do this by showing that the central limit theorem applies and our method leads to the same PDF obtained with the standard methodology, for a large number of events per history.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Voltage regulation in distribution grids: A survey

Environmental and sustainability concerns have caused a recent surge in the penetration of distributed energy resources into the power grid. This may lead to voltage violations in the distribution systems making voltage regulation more relevant than ever. Owing to this and rapid advancements in sensing, communication, and computation technologies, the literature on voltage control techniques is growing at a rapid pace in distribution networks. In particular, there is a paradigm shift from traditional offline centralized approaches to distributed ones leveraging increased and varied types of actuators, real-time sensing, fast and efficient computations, and an overall distributed situational awareness. This paper reviews state-of-the-art voltage control algorithms, summarizes the underlying methods, and classifies their coordination mechanisms into local, centralized, distributed, and decentralized. The underlying solution methodologies are further classified into two categories, open-loop and feedback-based. Two specific example workflows are provided to illustrate these solutions for voltage regulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Measurement of the small-scale 3D Lyman- α forest power spectrum

Small-scale correlations measured in the Lyman-α (Lyα) forest encode information about the intergalactic medium and the primordial matter power spectrum. In this article, we present and implement a simple method to measure the 3-dimensional power spectrum, P 3D , of the Lyα forest at wavenumbers k corresponding to small, ~ Mpc scales. In order to estimate P 3D from sparsely and unevenly distributed data samples, we rely on averaging 1-dimensional Fourier Transforms, as previously carried out to estimate the 1-dimensional power spectrum of the Lyα forest, P 1D . Further, this methodology exhibits a very low computational cost. We confirm the validity of this approach through its application to Nyx cosmological hydrodynamical simulations. Subsequently, we apply our method to the eBOSS DR16 Lyα forest sample, providing as a proof of principle, a first P 3D measurement averaged over two redshift bins z = 2.2 and z = 2.4. This work highlights the potential for forthcoming P 3D measurements, from upcoming large spectroscopic surveys, to untangle degeneracies in the cosmological interpretation of P 1D .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Distributed Rules-Based Deconfliction of ADMS Applications - Part 2: Conceptual Implementation

This work introduces a rules-based deconfliction methodology for resolving conflicting device control commands issued by advanced power applications considering a range of technical, economic, environmental, and social objectives. The methodology is designed to serve as one of multiple alternative implementations (along with application cooperation and global optimization) for the numerical component of the Deconfliction Pipeline. Development of the methodology is divided into two parts. The first document previously defined the requirements, context, and methods for decomposing the deconfliction problem using the Laminar Coordination Framework and Variable Grid Structures. The deconfliction problem was decomposed into a distributed optimization problem based on the concept of quasi-static grid segments, which form independent distributed areas for control and coordination. It was recommended that selection of the optimal number of decompositions of the deconfliction problem be made based on a tradeoff analysis between computational speed and global optimality. This second document defines an initial set of technical, economic, and environmental criteria, as well as thirty specific qualitative rules that are used as part of the deconfliction methodology to eliminate non-viable setpoint alternatives. The deconfliction optimization problem is converted into a ranking of individual discrete setpoints, which are scored by the extent to which they satisfy specific decision criteria. The ranking is determined through the concepts of deconfliction exclusivity, priority, and preference. Several multi-criteria decision-making frameworks are examined with the simple multi-attribute rating technique exploiting ranks (SMARTER) recommended as a simple implementation alternative that aligns with the steps of the rules-based deconfliction methodology.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Distributed Conditions for Small-signal Stability of Power Grids and Local Control Design

Operating modern power grids with stability guarantees is markedly important. Typical methods for analyzing and certifying power grid stability are largely centralized relying on the ability of the system operator to gather network-wide information and accurately compute the system's eigenvalues. These methods are oftentimes not privacy-preserving and computationally burdensome. They are therefore, not well-suited to modern power grids where small-signal stability has to be evaluated timely, efficiently and in a privacy-preserving fashion. Herein, we introduce a distributed methodology for certifying small-signal stability of power grids and designing the local controllers. First, we analytically derive distributed conditions for network-wide stability that bus agents can inspect using local information. By leveraging these conditions, we then introduce a distributed control design algorithm (DCDA) that can guide the local control design so that stability of the interconnected system is guaranteed. The agents that adopt the proposed distributed algorithm are responsible for tuning their local controllers, producing their local control commands and ensuring that their local stability condition is met. The system operator is only responsible for verifying network-wide stability upon receiving affirmative responses from all agents and, announcing, that the overall system is stable. The proposed DCDA algorithm is numerically validated via simulations using the IEEE 39-bus system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

RASPA3

RASPA3, a molecular simulation code for computing adsorption and diffusion in nanoporous materials and thermodynamic and transport properties of fluids. It implements force field based classical Monte Carlo/molecular dynamics in various ensembles. RASPA3 is rewritten from the ground up in C++23 with speed and code readability in mind. Transition-matrix Monte Carlo is added to compute the density of states and free energies. The Monte Carlo code for rigid molecules is based on quaternions, and the atomic positions needed in the energy evaluation are recreated from the center of mass position and quaternion orientation. The expanded ensemble methodology for fractional molecules, with a scaling parameter λ between 0 and 1, now also keeps track of analytic expressions of dU/dλ, allowing independent verification of the chemical potential using thermodynamic integration. The source code is freely available under the MIT license on GitHub.

Dubbeldam, David↗
DOE OSTI2022

Algorithm 1028: VTMOP: Solver for Blackbox Multiobjective Optimization Problems

VTMOP is a Fortran 2008 software package containing two Fortran modules for solving computationally expensive bound-constrained blackbox multiobjective optimization problems. VTMOP implements the algorithm of [32], which handles two or more objectives, does not require any derivatives, and produces well-distributed points over the Pareto front. The first module contains a general framework for solving multiobjective optimization problems by combining response surface methodology, trust region methodology, and an adaptive weighting scheme. The second module features a driver subroutine that implements this framework when the objective functions can be wrapped as a Fortran subroutine. Lastly, support is provided for both serial and parallel execution paradigms, and VTMOP is demonstrated on several test problems as well as one real-world problem in the area of particle accelerator optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

An Image-Plane Approach to Gravitational Lens Modeling of Interferometric Data

Strong gravitational lensing acts as a cosmic telescope, enabling the study of the high-redshift universe. Astronomical interferometers, such as the Atacama Large Millimeter/submillimeter Array (ALMA), have provided high-resolution images of strongly lensed sources at millimeter and submillimeter wavelengths. To model the mass and light distributions of lensing and source galaxies from strongly lensed images, strong lens modeling for interferometric observations is conventionally performed in the visibility space, which is computationally expensive. In this paper, we implement an image-plane lens modeling methodology for interferometric dirty images by accounting for noise correlations. We show that the image-plane likelihood function produces accurate model values when tested on simulated ALMA observations with an ensemble of noise realizations. We also apply our technique to ALMA observations of two sources selected from the South Pole Telescope survey, comparing our results with previous visibility-based models. Our model results are consistent with previous models for both parametric and pixelated source-plane reconstructions. We implement this methodology for interferometric lens modeling in the open-source software package lenstronomy.

Zhang, Nan [Illinois U., Urbana (main)] (ORCID:000↗
DOE OSTI2025

Parallelizing autotuning for HPC applications: Unveiling the potential of the speculation strategy in Bayesian optimization

In the exascale computing era, tuning High-Performance Computing (HPC) applications has become a significant computational challenge. Although Bayesian optimization (BO) has emerged as a promising tool for HPC performance tuning, the BO workflow is inherently sequential (i.e., one function evaluation at a time) and cannot leverage the huge amount of parallel resources present in modern supercomputers, resulting in a considerable underutilization of their computational capabilities. This paper explores the trade-off between search quality and parallelism in BO, investigating a diverse set of methods. Building upon both previous approaches from the literature and novel methodologies introduced in this work, our study provides a deep analysis to accelerate BO performance tuning. By examining a set of synthetic functions and practical HPC applications, our exploration analyzes the interaction among various BO methods for parallelization, the quantity of parallel resources, the runtime distribution of target HPC applications, and the costs associated with different search orchestration mechanisms that have been overlooked in previous studies. Compared to sequential BO, our novel methodology achieves comparable quality while demonstrating robust scalability in search time as the amount of parallel resources increases; it also outperforms a state-of-the-art tuner, which supports parallelization, achieving up to 3.67x faster search time. We provide high-value insights for practitioners seeking to leverage the power of parallel computing for efficient HPC application tuning. Additionally, to further assist researchers in accelerating the performance tuning of their HPC applications, we provide an extension of an existing open-source tuning framework that incorporates our methods.

Bayesian optimization↗
DOE OSTI2024

D2NO: Efficient handling of heterogeneous input function spaces with distributed deep neural operators

Neural operators have been applied in various scientific fields, such as solving parametric partial differential equations, dynamical systems with control, and inverse problems. However, challenges arise when dealing with input functions that exhibit heterogeneous properties, requiring multiple sensors to handle functions with minimal regularity. To address this issue, discretization-invariant neural operators have been used, allowing the sampling of diverse input functions with different sensor locations. However, existing frameworks still require an equal number of sensors for all functions. We propose a novel distributed approach to further relax the discretization requirements and solve the heterogeneous dataset challenges. Our method involves partitioning the input function space and processing individual input functions using independent and separate neural networks. A centralized neural network is used to handle shared information across all output functions. This distributed methodology reduces the number of gradient descent back-propagation steps, improving efficiency while maintaining accuracy. Here, we demonstrate that the corresponding neural network is a universal approximator of continuous nonlinear operators and present three numerical examples to validate its performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Microscopic calculation of fission product yields for odd-mass nuclei

Fission data are essential inputs to reaction networks involved in nucleosynthesis simulations and nuclear forensics. In such applications as well as in the description of multichance fission, the characteristics of fission for odd-mass nuclei are just as important as those for even-even nuclei. The fission theories that aim at explicitly describing fission dynamics are typically based on some variant of the nuclear mean-field theory. In such cases, the treatment of systems with an odd number of particles is markedly more involved, both formally and computationally. In this article, we use the blocking prescription of the Hartree-Fock-Bogoliubov theory with Skyrme energy functionals to compute the deformation properties of odd-mass uranium isotopes. We show that the resulting fission fragment distributions depend quite significantly on the spin of the odd neutron. By direct calculation of the spin distribution of the fissioning nucleus, we propose a methodology to rigorously predict the charge and mass distributions in odd-mass nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Machine Learning in Power System Operations: Training Data

Reliability and stability of the electric grid today has depended upon operations of the grid which include the protective relay. Today, the electricity sector faces new challenges with the shift of generation resource characteristics away from the traditional “big iron” generation to inverter-based resources (IBR) which shift the physics and assumption used in grid operation and protection. These changing conditions represent new challenges for protective relays (identification of faults) and increased challenges for protection engineers (correct settings and configuration, reduction of mis-operations), both issues recognized in research and industry. Finding new approaches to reduce mis-operations in relaying and new approaches to fault identification is critical to grid operations. Using today’s modern technology of embedded systems, edge computing, machine learning (ML), and communications we can help address challenges and augment and improve on existing power system operations methodologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗