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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 OSTI2023

BEYONDPLANCK III. Commander3

We describe the computational infrastructure for end-to-end Bayesian cosmic microwave background (CMB) analysis implemented by the BeyondPlanck Collaboration. The code is called Commander3. It provides a statistically consistent framework for global analysis of CMB and microwave observations and may be useful for a wide range of legacy, current, and future experiments. The paper has three main goals. Firstly, we provide a high-level overview of the existing code base, aiming to guide readers who wish to extend and adapt the code according to their own needs or re-implement it from scratch in a different programming language. Secondly, we discuss some critical computational challenges that arise within any global CMB analysis framework, for instance in-memory compression of time-ordered data, fast Fourier transform optimization, and parallelization and load-balancing. Thirdly, we quantify the CPU and RAM requirements for the current BEYONDPLANCK analysis, finding that a total of 1.5 TB of RAM is required for efficient analysis and that the total cost of a full Gibbs sample for LFI is 170 CPU-hrs, including both low-level processing and high-level component separation, which is well within the capabilities of current low-cost computing facilities. The existing code base is made publicly available under a GNU General Public Library (GPL) license.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Efficient computation of N -point correlation functions in D dimensions

We present efficient algorithms for computing the N-point correlation functions (NPCFs) of random fields in arbitrary D-dimensional homogeneous and isotropic spaces. Such statistics appear throughout the physical sciences and provide a natural tool to describe stochastic processes. Typically, algorithms for computing the NPCF components have $\mathscr O$(n N ) complexity (for a dataset containing n particles); their application is thus computationally infeasible unless N is small. By projecting the statistic onto a suitably defined angular basis, we show that the estimators can be written in a separable form, with complexity $\mathscr O$(n 2 ) or $\mathscr O$(n g log n g ) if evaluated using a Fast Fourier Transform on a grid of size n g . Our decomposition is built upon the D-dimensional hyperspherical harmonics; these form a complete basis on the (D – 1) sphere and are intrinsically related to angular momentum operators. Concatenation of (N – 1) such harmonics gives states of definite combined angular momentum, forming a natural separable basis for the NPCF. As N and D grow, the number of basis components quickly becomes large, providing a practical limitation to this (and all other) approaches: However, the dimensionality is greatly reduced in the presence of symmetries; for example, isotropic correlation functions require only states of zero combined angular momentum. We provide a Julia package implementing our estimators and show how they can be applied to a variety of scenarios within cosmology and fluid dynamics. The efficiency of such estimators will allow higher-order correlators to become a standard tool in the analysis of random fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Phase I Closeout Report: Invoking Artificial Neural Networks to Measure Insider Threat Mitigation

Researchers from Sandia National Laboratories (Sandia) and the University of Texas at Austin (UT) conducted this study to explore the effectiveness of commercial artificial neural network (ANN) software to improve insider threat detection and mitigation (ITDM). This study hypothesized that ANNs could be "trainee to learn patterns of organizational behaviors, detect off-normal (or anomalous) deviations from these patterns, and alert when certain types, frequencies, or quantities of deviations emerge. The ReconaSense ANN system was installed at UT's Nuclear Engineering Teaching Laboratory (NETL) and collected 13,653 access control data points and 694 intrusion sensor data points over a three-month period. Preliminary analysis of this baseline data demonstrated regularized patterns of life in the facility, and that off-normal behaviors are detectable under certain situations -- even for a facility with anticipated highly non-routine, operational behaviors. Completion of this pilot study demonstrated how the ReconaSense ANN could be used to identify expected operational patterns and detect unexpected anomalous behaviors in support of a data-analytic approach to ITDM. While additional studies are needed to fully understand and characterize this system, the results of this initial study are overall very promising for demonstrating a new framework for ITDM utilizing ANNs and data analysis techniques.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Fire Risk Investigation in 3D (FRI3D) Software and Process for Integrated Fire Modeling

Modeling and implementing fire safety for nuclear power plants is a costly activity. Because of the complexity of fire phenomena and multiple operational procedures, it is difficult to computationally provide assurance that mitigation methods are adequate for critical areas using current analysis methods in a cost-effective manner. The nuclear industry needs efficient methods to provide more accurate modeling and optimize mitigation methods to improve nuclear power plant understanding for fire scenarios. This report describes the work done over the last two year on the Fire Risk Investigation in 3D (FRI3D) software. This software simplifies the modeling process by importing existing plant models and data, incorporating a 3D modeling environment and coupling with the fire simulation software CFAST. This eliminates the manual labor and errors associated with much of the fire modeling process. The report lays out the status and path of FRID software for the Risk Informed Safety Analysis pathway of the Light Water Reactor Sustainability project at Idaho National Laboratory and industry collaborators to best help reduce costs and improve realism in fire probabilistic risk analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Hand Calculations for Nuclear Criticality Safety — Primer Revision [Abstract]

The document “ Hand Calculation Methods for Criticality Safety –A Primer, ” was published by the authors (Los Alamos National Laboratory report LA-14244-M) in December 2006 to provide an overview of the most common hand calculation methods used for criticality safety analysis. Hand calculation methods can be used as a starting point for more advanced calculations, and in many circumstances, they can provide sensitivity and perturbation information quicker than using a criticality code, such as KENO or MCNP. This report has been revised to augment existing basis information and example problems for each of the methods discussed: 1-group and modified 1-group diffusion theory, core-density conversions, buckling conversions, limiting surface density method, density analog method, surface density method, and solid angle method. This primer discusses the applicability of the various methods, illustrates how they are used, and provides an interpretation of the example problem results. The example problems provided are simple, practical problems, and the reference data to solve each example problem is provided. This paper will provide an overview of the Primer revision and how it can be useful for new Nuclear Criticality Safety practitioners.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

SAM: A Modern System Code for Advanced Non-LWR Safety Analysis

The System Analysis Module (SAM), developed at Argonne National Laboratory and by collaborators at other organizations, is for advanced non–light water reactor safety analysis. SAM aims to provide fast-running, modest-fidelity, whole-plant transient analysis capabilities that are essential for fast-turnaround design scoping and engineering analyses of advanced reactor concepts. To facilitate code development, SAM utilizes the MOOSE object-oriented application framework, its underlying finite element library, and linear and nonlinear solvers to leverage modern advanced software environments and numerical methods. SAM aims to solve tightly coupled physical phenomena, including fission reaction, heat transfer, fluid dynamics, and thermal-mechanical responses in advanced reactor structures, systems, and components with high accuracy and efficiency. Finally, this paper gives an overview of the SAM code development, including goals and functional requirements, physical models, current capabilities, verification and validation, software quality assurance, and examples of simulations for advanced nuclear reactor applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Orientation reversal and the Chern-Simons natural boundary

We show that the fundamental property of preservation of relations, underlying resurgent analysis, provides a new perspective on crossing a natural boundary, an important general problem in theoretical and mathematical physics. This reveals a deeper rigidity aspect of resurgence in a quantum field theory path integral. The physical context here is the non-perturbative completion of complex Chern-Simons theory that associates to a 3-manifold a collection of q-series invariants labeled by Spinc structures, for which crossing the natural boundary corresponds to orientation reversal of the 3-manifold. Our new resurgent perspective leads to a practical numerical algorithm that generates q-series which are dual to unary q-series composed of false theta functions. Until recently, these duals were only known in a limited number of cases, essentially based on Ramanujan’s mock theta functions, and the common belief was that the duals might not even exist in the general case. Resurgence analysis identifies as primary objects Mordell integrals: up to changes of variables, they are Laplace transforms of resurgent functions. Their unique Borel summed transseries decomposition on either side of the Stokes line is simply the unique decomposition into real and imaginary parts. In turn, the latter are combinations of unary q-series in terms of q and its modular counterpart $\overset{\sim }{q}$ , and are resurgent by construction. The Mordell integral is analytic across the natural boundary of the q and $\overset{\sim }{q}$ series, and uniqueness of a similar decomposition which preserves algebraic relations on the other side of the boundary defines the unique boundary crossing of the q series. We demonstrate that this continuation can be efficiently implemented numerically. In the cases where unique mock modular identities are known, they are found by this numerical procedure, but the procedure can go well beyond the known list of identities. A particularly interesting feature of the resurgent approach is that it reveals new aspects, and is very different from other known approaches based on indefinite theta series, Appell-Lerch sums, and representation theory of logarithmic vertex operator algebras.

Chern-Simons theories↗
DOE OSTI2024

Robustness of topological persistence in knowledge distillation for wearable sensor data

Topological data analysis (TDA) has shown great success in various applications involving wearable sensor data. However, there are difficulties in leveraging topological features in machine learning and wearable sensors because of the large time consumption and computational resources required to extract the features. To address this problem, knowledge distillation (KD) is utilized to generate a small model and accommodate topological features with persistence image (PI) representations from the raw time series data. Deploying topological knowledge in KD enables the student to achieve better performance compared to the one trained solely on raw time series data. However, it is not yet known if there are coherent characteristics for topological features in PI, which can aid in improving the performance during KD. In this paper, we investigate the suitability and challenges of utilizing topological features in KD for wearable sensor data, thereby contributing to the advancement of the field. Our study explores the impact of transferred topological features by comparing the Teacher-to-Student framework with Multiple Teachers-to-Student where teachers utilize both time series data and persistence images obtained by TDA as inputs. Additionally, we conduct a rigorous examination of topological knowledge effects by testing under various corruptions, knowledge types, and learning strategies in the context of human activity recognition tasks. Our analysis of topological features in KD presents the optimal strategy for incorporating these features. This study includes datasets of varying scales, window lengths, and activity classes, providing a comprehensive evaluation. Our results demonstrate that leveraging topological features in KD to enhance performance across databases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Adaptive immersed isogeometric level-set topology optimization

Here, this paper presents for the first time an adaptive immersed approach for level-set topology optimization using higher-order truncated hierarchical B-spline discretizations for design and state variable fields. Boundaries and interfaces are represented implicitly by the iso-contour of one or multiple level-set functions. An immersed finite element method, the eXtended IsoGeometric Analysis, is used to predict the physical response. The proposed optimization framework affords different adaptively refined higher-order B-spline discretizations for individual design and state variable fields. The increased continuity of higher-order B-spline discretizations together with local refinement enables direct control over the accuracy of the representation of each field while simultaneously reducing computational cost compared to uniformly refined discretizations. A flexible mesh adaptation strategy enables local refinement based on geometric measures or physics-based error indicators. These adaptive discretization and analysis approaches are integrated into gradient-based optimization schemes, evaluating the design sensitivities using the adjoint method. Numerical studies illustrate the features of the proposed framework with static, linear elastic, multi-material, two- and three-dimensional problems. The examples provide insight into the effect of refining the design variable field on the optimization result and the convergence rate of the optimization process. Using coarse higher-order B-spline discretizations for level-set fields promotes the development of smooth designs and suppresses the emergence of small features. Moreover, adaptive mesh refinement for state variable fields results in a reduction of overall computational cost. Higher-order B-spline discretizations are especially interesting when evaluating gradients of state variable fields due to their higher inter-element continuity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Adaptive, Active Learning, and Multifidelity Monte Carlo Methods in the MOOSE Stochastic Tools Module

MOOSE is an open-source computational platform for constructing multi-physics models and executing them in a massively parallel fashion. It has a stochastic tools module (STM) for forward/inverse uncertainty quantification (UQ) and surrogate modeling. This presentation details some recent developments to the STM with respect to the implementation of adaptive, active learning, and multifidelity Monte Carlo methods for forward UQ of computational models. Specifically, the adaptive Monte Carlo methods include Markov Chain Monte Carlo (MCMC)-driven algorithms like adaptive importance sampling and parallelized subset simulation for statistical QoI estimation, rare events analysis, and stochastic gradient-free optimization. The active learning methods include Gaussian Process (GP) surrogates and their training via Adam optimization, design of acquisition functions, and integration with samplers like Monte Carlo, adaptive importance, and parallelized subset simulation. These active learning methods are also designed to work in a batch mode, wherein, the required calls to the full computational model are executed in parallel whenever a user-specified batch size is met. The multifidelity methods in STM are broadly divided into two categories: hierarchical, where a defined hierarchy exists among the low-fidelity models, and peer, where all the low-fidelity models are treated equally. A GP surrogate is used to learn the differences between the low- and high-fidelity models in both multifidelity categories, and acquisition functions from the active learning classes are used to decide whether to rely on a low-fidelity model or call the expensive high-fidelity model. Alongside the software description and usage, applications are also presented to nuclear engineering computational models including a TRISO nuclear fuel particle, a reactor pressure vessel, and a heat-pipe microreactor.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Dominant balance-based adaptive mesh refinement for incompressible fluid flows

This work introduces a novel adaptive mesh refinement (AMR) method that utilizes dominant balance analysis (DBA) for efficient and accurate grid adaptation in computational fluid dynamics (CFD) simulations. The proposed method leverages a Gaussian mixture model (GMM) to classify grid cells into active and passive regions based on the dominant physical interactions within the equation space. By modeling truncation error probabilistically from discretized terms, the method identifies regions of high interaction where numerical accuracy is most sensitive to resolution. Unlike traditional AMR strategies, this approach does not rely on heuristic-based sensors or user-defined thresholds, providing a fully automated and problem-independent framework for AMR. Applied to the incompressible Navier-Stokes equations for steady and unsteady flow past a cylinder, the DBA-based AMR method achieves comparable accuracy to high-resolution grids while reducing computational costs by up to 70 %. The validation highlights the method’s effectiveness in capturing complex flow features while minimizing grid cells, directing computational resources toward regions with the most critical dynamics. This modular and scalable strategy is adaptable to a wide range of applications, presenting a promising tool for efficient high-fidelity simulations in CFD and other multiphysics domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An Adaptive Geometry-Free Thermo-Mechanical Model for Directed Energy Deposition Process Modeling

This presentation describes a novel, geometry-free thermo-mechanical model with adaptive subdomain con- struction to accurately predict the thermal conditions, distortions, and residual stresses throughout the directed energy deposition (DED) process. A novel finite element workflow is designed to con- duct the numerical analysis, based on the multi-app and data transfer capabilities in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE). Unlike with traditional methods, the part geometry in this model is not predefined. Instead, it is a combined effect of the processing parameters and material properties. At each time step, the model utilizes a subdomain construction paradigm to model the material deposition. A specialized mesh adaptivity scheme is incorporated to provide an accurate prediction while reducing the overall computational cost. The results generated by the proposed model show general agreement with the experimental measurements for the single track scan with varying processing parameters and demonstrate reasonable predictions for higher material buildups.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Center of Excellence Collaboration Projects: Second Wave

The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. In particular the NEAMS program is supporting the development of novel thermal-hydraulic codes. The Center of Excellence for Thermal Fluids Application in Nuclear Energy, launched in 2018, has as its key goals to serve as a front door to industry. The Center of Excellence for Thermal Fluids Applications in Nuclear Energy has recently launched a program to start collaborative efforts between the laboratories and industry with the objective of stimulating cooperation and increasing adoption of T/H tools developed under NEAMS by the industry-at-large. In particular, two industry partners agreed to participate in a second wave of short-term collaborations aimed at demonstrating the value of NEAMS tools to their designs. These are Framatome and TerraPower who proposed projects related to LWR (Light Water Reactor) and MSFR (Molten Salt Fast Reactor) designs respectively. In this report we present the results of these two collaborations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

General Bayesian Inference over the Stiefel Manifold via the Givens Transform

We introduce here an approach based on the Givens representation for posterior inference in statistical models with orthogonal matrix parameters, such as factor models and probabilistic principal component analysis (PPCA). We show how the Givens representation can be used to develop practical methods for transforming densities over the Stiefel manifold into densities over subsets of Euclidean space. We demonstrate how to deal with issues arising from the topology of the Stiefel manifold and how to inexpensively compute the change-of-measure terms. We introduce an auxiliary parameter approach that limits the impact of topological issues. We provide both analysis of our methods and numerical examples demonstrating the effectiveness of the approach. We also discuss how our Givens representation can be used to define general classes of distributions over the space of orthogonal matrices. We then give demonstrations on several examples showing how the Givens approach performs in practice in comparison with other methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Functional Data Analysis in Wearable Body Sensor Networks

Improving response time of indirect room-size calorimeters is still an outstanding problem in metabolic research. Accurate estimates of instantaneous rates of gaseous exchange require numerical differentiation of measured gaseousgas concentrations. We propose a new method to estimate the instantaneous gaseousgas exchange rates in indirect calorimetry. In contrast to the previously developed techniques, the method addresses the problem of differentiation of gaseous concentrations as an ill-posed problem. By applying the method of regularization, the problem of differentiation is converted into a well-posed problem resulting in smooth and consistent gaseous exchange rates. The validity of the method is tested on a large dataset of calorimeter experiments which included 313 human experiments along with 231 alcohol combustion experiments. It is demonstrated that the method is able to reliably differentiate between the “unphysiological” process of alcohol combustion and physiological variations produced by human metabolism. The method also allowed unraveling the previously unreported relative kinetics of O2 consumption and Respiratory Quotient (RQ) in humans. It was found that the kinetics of oxidative fuel selection lags behind the energy expenditure in humans exhibiting some sort of oxidative inertia. The time lag varies from 2-3 min up to 30 min, depending on particular individual. No such lag was found in alcohol combustion experiments. In addition to the relative kinetics of substrate oxidation, two statistical indexes reflecting variability of minute-by-minute RQ were estimated. The indexes were the RQ’s standard deviation and RQ’s first-order derivative. Both indexes showed statistically significant difference between human experiments and alcohol combustion experiments. We conclude that the proposed method can consistently extract physiologically-relevant information from noisy calorimetry data and the aforesaid information can provide additional insights into the mechanism of metabolic fuel selection in humans.

60 - APPLIED LIFE SCIENCES↗
DOE OSTI2026

Facilitating Data Collection of Maintenance Events to Populate the Hydrogen Component Reliability Database (HyCReD)

The Hydrogen Component Reliability Database (HyCReD) is a collaborative project between the National Renewable Energy Laboratory, the University of Maryland, and hydrogen stakeholders to improve safety and reliability for hydrogen facilities by implementing component reliability data taxonomies that support hydrogen infrastructure failure rate analysis. The project aims to quantify failure rates of hydrogen components through high-quality data collection and analysis on root causes and maintenance needed. HyCReD provides a common database for cataloging hydrogen component failures which exists for reliability research in many other mature industries [2]. The database fills a gap for the hydrogen community by providing a scientifically rigorous approach to quantitative risk assessment (QRA), prognostic health management (PHM), and reliability-centered maintenance (RCM) analysis. High level results will be aggregated and anonymized to protect company sensitive information; detailed results will be used to help address issues of hydrogen components. These advanced analytics will support accelerated deployment of hydrogen infrastructure by enabling better: design and safety of projects (safety codes and standards development), infrastructure reliability and cost (component failure rates, maintenance protocols), and component R&D needs (robust supply chain). A key to a successful HyCReD implementation is facilitating the ease of reporting and data quality in the database that can be used for analysis. Maintenance data was a previously identified gap in initial efforts to populate and validate the database taxonomies [3]. Collection of maintenance data will be instrumental in identifying failure modes and rates, identifying incipient component failures or reduced performance, cataloging best practices for maintenance routines and methods for prognostic health management, and quantifying the risk and effect of different failure modes. Several key priorities are identified for streamlined data collection to achieve quality and detailed failure data: Applicability, Ease of Use, Accessibility, and Information Security. The HyCReD team has now begun deployment of the database to several companies and groups that have signed non-disclosure agreements to facilitate the data collection of failures in industry hydrogen refueling station infrastructure. This paper will provide an update into the process of HyCReD deployment including the development of a coding guide for facility personnel to reference and ensure data quality and consistency from one station to another as well as implementation of contextually dependent data fields of system taxonomy and formatted entries to provide ease of use. The goal is to communicate the lessons learned from the roll-out to technicians and engineers in the field, and the addition of need for high level of security to protect all stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Efficient high-fidelity TRISO statistical failure analysis using Bison: Applications to AGR-2 irradiation testing

The ability of tri-structural isotropic (TRISO) fuel to contain fission products is largely dictated by the quality of the manufacturing process, since most of the fission product release is expected to occur due to coating layer failure in a small number of particles containing defects. The Bison fuel performance code has capabilities to predict failure in individual particles, accounting for the presence of defects, and to apply statistical analysis methods to compute the probability of failure in a set of fuel particles. Bison has recently undergone significant development both to improve its physical representations of fuel particle behavior and to improve the efficiency of its statistical failure calculations. Physical model improvements include new capabilities to account for the pressure generated by fission gases on inner pyrolytic carbon (IPyC) crack surfaces and to use local material coordinate orientation to accurately incorporate the anisotropy in the material properties in aspherical particles. To improve statistical modeling efficiency, a direct integration approach which involves directly integrating the failure probability function associated with statistically varying parameters has been developed. The direct integration approach is much more efficient than the Monte Carlo (MC) schemes commonly employed, and allows Bison to directly run high-dimensional fuel performance models, which improves the accuracy of failure probability calculations. Finally, a set of benchmark problems is considered here to compare the MC and direct integration approaches, and a statistical failure analysis of compacts in the Advanced Gas Reactor (AGR)-2 experiments is performed using the direct integration approach.

36 MATERIALS SCIENCE↗