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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks

Tabulated chemistry models are widely used to simulate large-scale turbulent fires in applications including energy generation and fire safety. Tabulation via piecewise Cartesian interpolation suffers from the curse-of-dimensionality, leading to a prohibitive exponential growth in parameters and memory usage as more dimensions are considered. Artificial neural networks (ANNs) have attracted attention for constructing surrogates for chemistry models due to their ability to perform high-dimensional approximation. However, due to well-known pathologies regarding the realization of suboptimal local minima during training, in practice they do not converge and provide unreliable accuracy. Partition of unity networks (POUnets) are a recently introduced family of ANNs which preserve notions of convergence while performing high-dimensional approximation, discovering a mesh-free partition of space which may be used to perform optimal polynomial approximation. In this work, we assess their performance with respect to accuracy and model complexity in reconstructing unstructured flamelet data representative of nonadiabatic pool fire models. Our results show that POUnets can provide the desirable accuracy of classical spline-based interpolants with the low memory footprint of traditional ANNs while converging faster to significantly lower errors than ANNs. For example, we observe POUnets obtaining target accuracies in two dimensions with 40 to 50 times less memory and roughly double the compression in three dimensions. We also address the practical matter of efficiently training accurate POUnets by studying convergence over key hyperparameters, the impact of partition/basis formulation, and the sensitivity to initialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Establishing a Presence

The basis for this successful collaboration was face-to-face communication. Though it was sometimes stressful being on the road so much, I really learned the importance of being present to work together and ask questions in person. Another measure of success was that in the midst of this project and traveling, my wife and I managed to start a family. My oldest boy got a real kick out of visiting Space Center Houston when he was two to learn all about the "face futtle" which goes way up in the sky. When practical, collocation and face-to-face communication on a project eliminate misunderstandings, establish relationships, make information more easily accessible, and promote a team atmosphere. Compromise is key to balancing both family and career goals. Knowing when to prioritize each is important to success in both aspects.

McCandless, Jeffrey↗

The development of low temperature curing adhesives

An approach for the development of a practical low temperature (293 K-311 K/68 F-100 F) curing adhesive system based on a family of amide/ester resins was studied and demonstrated. The work was conducted on resin optimization and adhesive compounding studies. An improved preparative method was demonstrated which involved the reaction of an amine-alcohol precursor, in a DMF solution with acid chloride. Experimental studies indicated that an adhesive formulation containing aluminum powder provided the best performance when used in conjunction with a commercial primer.

Green, H. E.↗

Baseband pulse shaping techniques for nonlinearly amplified pi/4-QPSK and QAM systems

A new generation of multi-stage pi/4-shifted QPSK and of superposed quadrature-amplitude-modulated (SQAM) modulators-coherent demodulators (modems) and of continuous phase modulated (CPM)-gaussian premodulation filtered minimum-shift-keying (MGMSK) systems is proposed and studied. These modems will lead to bandwidth and power efficient satellite communications systems designs. As an illustrative application, a baseband processing technique pi/4-controlled transition PSK (pi/4-CTPSK) is described. To develop a cost and power efficient design strategy, we assume that nonlinear, fully saturated high power amplifiers (HPA) are utilized in the satellite earth station transmitter and in the satellite transponder. Modem structures which could lead to application specific integrated circuit (ASIC) satellite on-board processing universal modem applications are also considered. Multistate GMSK (i.e., MGMSK) signal generation methods by means of two or more RF combined nonlinearly amplified SQAM modems and by one multistate (in-phase and quadrature-baseband premodulation filtered-superposed) SQAM architecture and one RF nonlinear amplifier are studied. During the SQAM modem development phase we investigate the potential system advantages of the pi/4-shifted logic. The bandwidth efficiency of the proposed multistate GMSK and baseband filtered PAM-FM modulator (a new class in the CPM family) will be significantly higher than that of conventional G-MSK systems. To optimize the practical P(sub e) = f((E sub b)/(N sub o)) performance we consider improved coherent demodulation MGMSK structures such as deviated-frequency locking coherent demodulators. For relative low bit rate SATCOM applications, e.g., bit rates less than 300 kb/s, phase noise tracking cancellation (for fixed site earth station) and phase noise cancellation as well as Doppler compensation (for satellite to mobile earth station) applications may be required. We study digital channel sounding methods which could cancel the phase noise-caused degradations of CPM and GMSK modems.

Feher, Kamilo↗

Phase Transitions in Planning Problems: Design and Analysis of Parameterized Families of Hard Planning Problems

There are two common ways to evaluate algorithms: performance on benchmark problems derived from real applications and analysis of performance on parametrized families of problems. The two approaches complement each other, each having its advantages and disadvantages. The planning community has concentrated on the first approach, with few ways of generating parametrized families of hard problems known prior to this work. Our group's main interest is in comparing approaches to solving planning problems using a novel type of computational device - a quantum annealer - to existing state-of-the-art planning algorithms. Because only small-scale quantum annealers are available, we must compare on small problem sizes. Small problems are primarily useful for comparison only if they are instances of parametrized families of problems for which scaling analysis can be done. In this technical report, we discuss our approach to the generation of hard planning problems from classes of well-studied NP-complete problems that map naturally to planning problems or to aspects of planning problems that many practical planning problems share. These problem classes exhibit a phase transition between easy-to-solve and easy-to-show-unsolvable planning problems. The parametrized families of hard planning problems lie at the phase transition. The exponential scaling of hardness with problem size is apparent in these families even at very small problem sizes, thus enabling us to characterize even very small problems as hard. The families we developed will prove generally useful to the planning community in analyzing the performance of planning algorithms, providing a complementary approach to existing evaluation methods. We illustrate the hardness of these problems and their scaling with results on four state-of-the-art planners, observing significant differences between these planners on these problem families. Finally, we describe two general, and quite different, mappings of planning problems to QUBOs, the form of input required for a quantum annealing machine such as the D-Wave II.

Problems↗

Efficient and Flexible Hierarchical Data Layouts for a Unified Encoding of Scalar Field Precision and Resolution

To address the problem of ever-growing scientific data sizes making data movement a major hindrance to analysis, we introduce a novel encoding for scalar fields: a unified tree of resolution and precision, specifically constructed so that valid cuts correspond to sensible approximations of the original field in the precision-resolution space. Furthermore, we introduce a highly flexible encoding of such trees that forms a parameterized family of data hierarchies. We discuss how different parameter choices lead to different trade-offs in practice, and show how specific choices result in known data representation schemes such as zfp[52], idx[58], and jpeg2000 [76]. Lastly, we provide system-level details and empirical evidence on how such hierarchies facilitate common approximate queries with minimal data movement and time, using real-world data sets ranging from a few gigabytes to nearly a terabyte in size. Experiments suggest that our new strategy of combining reductions in resolution and precision is competitive with state-of-the-art compression techniques with respect to data quality, while being significantly more flexible and orders of magnitude faster, and requiring significantly reduced resources.

97 MATHEMATICS AND COMPUTING↗

Integrating Health and Energy Efficiency in Multi-Family Buildings

The intersection between health and the built environment has long been known. Since the 18 th century, public health officials have been targeting building issues, such as crowding, poor sanitation, and inadequate ventilation in efforts to reduce infectious diseases and fire hazards. More recently, federal agencies, such as the U.S. Environmental Protection Agency (EPA), the Centers for Disease Control and Prevention, HUD, and the DOE have been working to reduce or eliminate indoor building factors that are known to have adverse health impacts on Americans, including reducing lead in housing and indoor air pollution that causes respiratory disease, and ensuring access to adequate heating, cooling, and moisture control. PNNL, in support of FEMP’s HBI, undertook a review of literature and existing best practices to identify current activities and research on the intersection between traditional energy-efficiency measures and occupant health within multi-family buildings. While the HBI methodology has focused on traditional office building spaces, it is now expanding into additional building use types. This overview explores some of the most impactful resources to help property owners and managers understand more about multi-family residential buildings that are both healthy and energy efficient. The federal government provides direct oversight and operation across several types of multi-family residential housing, including dormitories, barracks, and senior community living centers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Propeller design: extension of test data on a family of model propellers by means of the modified blade element theory II

This report is the second of a series of four on propeller design, and describes the method used to extend the data obtained from tests on a family of thirteen model propellers to include all propellers of the same form likely to be met in practice. This necessitates the development of a method of propeller analysis which when used to calculate the powers and efficiencies gives results which check the tests throughout their range.

Weick, Fred E↗

Demonstration of μCHP in Light Commercial Hot Water Applications

Internal combustion engine driven combined heat and power (CHP) systems produce power while the waste heat is recovered and used for another purpose. For µCHP systems (less than 50kWe output) overall efficiencies can reach over 90% for products currently on the market throughout the world. On a fuel basis this offers an advantage over using grid-based power and another fuel for heat. Additionally, the cost of natural gas on an energy unit basis is significantly less expensive than electric power. This difference can lead to substantial savings for the end user of a CHP system. In some parts of the world, particularly Germany and Japan, µCHP has become a common part of the heat and distributed generation equipment mix. Market analysis conducted in 2012 showed that in North America there is potential of a 5,300 units per year market for µCHP, resulting in an annual energy savings of approximately 13.5 TBtu and more than $84 million in annual customer savings. However, µCHP still has not seen much market penetration in North America. This study helps to identify some of the reasons why, address roadblocks that still need to be overcome and provide experience to established best practices. Nine commercial sites were initially identified (fitness club, surgical center, senior community, resort and spa, commercial laundry, two multi-family housing, restaurant and manufacturing facility). Systems from two different manufacturers were installed at five sites total, but due to unforeseen circumstances, only three of those sites were finally commissioned: test data were collected by Oak Ridge National Laboratory. While not all systems were installed as intended, the project resulted in the following key findings: Micro combined heat and power is an unfamiliar technology for building owners and plumbing and electrical contractors that serve the buildings most suited for µCHP. Manufacturers will need to be aggressive in providing training and providing broad support to successfully bring the technology to market.; The proper integration of µCHP into other building systems is the most critical part of a successful installation. Manufacturers will need to be able to provide the expertise to train, advise and support the mechanical contractors during the design and installation of the heat integration system.; Regulations governing µCHP varies across the country. There are a few UL standards (UL 2200 and UL 1741) that apply nationally. Emissions are governed by EPA except in California where the California Air Resources Board (CARB) has established their own standard. Requirements that dictate installation and interconnection are dependent on local building codes and local utility processes and requirements. Some out of date building codes do not offer clear guidance for these requirements, leading to confusion. This makes developing training and determining broadly applicable best practices difficult.; Installation costs of µCHP are a key factor in making an installation successful. It is critical that these costs and all national, state and local regulations be understood and accounted for by all parties involved in the installation before a project is undertaken.; A robust customer service organization is important to meet the needs of the customers. These systems require annual maintenance and service and local capability is needed to keep costs inline.

03 NATURAL GAS↗

Target Detection via Cognitive Radars Using Change-Point Detection, Learning, and Adaptation

Many radar detection algorithms that assume a stationary environment (clutter) have been proposed and analyzed over the years. However, in practice, changes in the nonstationary environment can perturb the parameters of the clutter distribution, or even alter the clutter distribution family, which can greatly deteriorate the target detection capability. To avoid such potential performance degradation, cognitive radar systems are envisioned which are required to rapidly realize the nonstationarity, accurately learn the new characteristics of the environments, and adaptively update the detector. In this paper, aiming to develop a fully cognitive radar for target detection in nonstationary environments, we propose a unifying framework that integrates (i) change-point detection of clutter distributions by using a data-driven cumulative sum (CUSUM) algorithm and its extended version, (ii) learning/identification of clutter distribution by applying sparse theory and kernel density estimation methods, and (iii) adaptive target detection by automatically modifying the likelihood-ratio test and corresponding detection threshold. Further, with extensive numerical examples, we demonstrate the achieved improvements in detection performance due to the proposed framework in comparison to a nonadaptive case, an adaptive matched filter (AMF) method, and the clairvoyant case. Herein, we also use Wilcoxon rank-sum tests to evaluate the statistical significance of the performance improvements

42 ENGINEERING↗

Performance of wave function and Green's function methods for non-equilibrium many-body dynamics

Theoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an effective (downfolded) representation through Green's functions. In this work, we select representative cases of each of the methods and address how these complementary approaches capture the dynamics driven by intense field perturbations to non-equilibrium states. Under strong driving, the systems are characterized by strong entanglement of the single-particle density matrix and natural populations approaching those of a strongly interacting equilibrium system. We generate a representative set of results that are numerically exact and form a basis for a critical comparison of the distinct families of methods. We demonstrate that the compressed formulation based on similarity-transformed Hamiltonians (coupled-cluster approach) is practically exact in weak fields and, hence, weakly or moderately correlated systems. Coupled cluster, however, struggles for strong driving fields, under which the system exhibits strongly correlated behavior, as measured by the von Neumann entropy of the single-particle density matrix. The dynamics predicted by Green's functions in the (widely popular) G W approximation are less accurate, but improve significantly upon the mean-field results in the strongly driven regime. Published by the American Physical Society 2025

Reeves, Cian C. (ORCID:0009000642581845)↗

Mixture densities, maximum likelihood, and the EM algorithm

The problem of estimating the parameters which determine a mixture density is reviewed as well as maximum likelihood estimation for it. A particular iterative procedure for numerically approximating maximum likelihood estimates for mixture density problems is considered. This EM algorithm, is a specialization to the mixture density context of a general algorithm of the same name used to approximate maximum likelihood estimates for incomplete data problems. The formulation and theoretical and practical properties of the EM algorithm for mixture densities are discussed focussing in particular on mixtures of densities from exponential families.

Redner, R. A.↗

USM3D Simulations for Second Sonic Boom Workshop

The NASA Tetrahedral Unstructured Software System with the USM3D flow solver was used to compute test cases for the Second AIAA Sonic Boom Prediction Workshop. The intent of this report is to document the USM3D results for SBPW2 test cases. The test cases included an axisymmetric equivalent area body, a JAXA wing body, a NASA low boom supersonic configuration modeled with flow through nacelles and engine boundary conditions. All simulations were conducted for a free stream Mach number of 1.6, zero degrees angle of attack, and a Reynolds number of 5.7 million per meter. Simulations were conducted on tetrahedral grids provided by the workshop committee, as well as a family of grids generated by an in-house approach for sonic boom analyses known as BoomGrid using current best practices. The near-field pressure signatures were extracted and propagated to the ground with the atmospheric propagation code, sBOOM. The USM3D near-field pressure signatures, corresponding sBOOM ground signatures, and loudness levels on the ground are compared with mean values from other workshop participants.

Elmiligui, Alaa↗

USM3D Simulations for Second Sonic Boom Workshop

The NASA Tetrahedral Unstructured Software System with the USM3D flow solver was used to compute the test cases for the Second AIAA Sonic Boom Prediction Workshop. The intent of this article is to document the USM3D results for SBPW2 test cases. The test cases included an axisymmetric equivalent area body, a JAXA wing body, a NASA low boom supersonic configuration modeled with flow-through nacelles and engine boundary conditions. All simulations were conducted for a free stream Mach number of 1.6, zero degrees angle of attack, and a Reynolds number of 5.7 million per meter. Simulations were conducted on the tetrahedral grids provided by the workshop committee, as well as a family of grids generated by an in-house approach for sonic boom analyses known as BoomGrid using current best practices. The near-field pressure signatures were extracted and propagated to the ground with the atmospheric propagation code, sBOOM. The USM3D near-field pressure signatures, corresponding sBOOM ground signatures, and loudness levels on the ground are compared with mean values from other workshop participants.

Elmiligui, Alaa↗

tapir: A tool for topologies, amplitudes, partial fraction decomposition and input for reductions

The demand for precision predictions in the field of high energy physics has dramatically increased over recent years. Experiments conducted at the LHC, as well as precision measurements at the intensity frontier such as Belle II require equally precise theoretical predictions to make full use of the acquired data. To match the experimental precision, second-, third- and, for certain quantities, even higher-order calculations in perturbative quantum field theory are required. To facilitate such calculations, computer software automating as many steps as possible is required. Yet, each calculation poses different challenges and thus, a high level of configurability is required. In this context we present tapir: a tool for identification, manipulation and minimization of Feynman integral families. It is designed to integrate in toolchains based on the computer algebra system FORM, the use of which is common practice in the field. tapir can be used to reduce the complexity of multi-loop problems with cut-filters, topology mapping, partial fraction decomposition and alike. Program Title:tapir CPC Library link to program files:https://doi.org/10.17632/ptc9t46xyn.1 Developer's repository link:https://gitlab.com/tapir-devs/tapir Licensing provisions: GPLv3 Programming language:python 3, C++ Nature of problem: Multi-loop computations require the automatization of a large number of different tasks related to Feynman integral topologies. Among them are the identification and minimization of integral topologies, partial fraction decomposition of topologies in the case of linearly dependent propagators as well as mapping scalar products of loop momenta to scalar functions. Solution method: The minimization of topologies is performed by comparison of their respective Nickel indices [1], even further minimization utilizes Pak's algorithm [2]. To efficiently map scalar products of loop momenta to scalar functions FORM [3] code is generated. Additional comments including restrictions and unusual features: Minimization based on Pak's algorithm slows down for many lines and scales. A coarser minimization using the Nickel indices, however, is still possible. [1]B. Nickel, D. Meiron, G.A.J. Baker, Compilation of 2-pt and 4-pt graphs for continuous spin model, Report, University of Guelph, 1977.[2]A. Pak, J. Phys. Conf. Ser. 368 (2012) 012049, https://doi.org/10.1088/1742-6596/368/1/012049, arXiv:1111.0868.[3]B. Ruijl, T. Ueda, J. Vermaseren, FORM version 4.2, arXiv:1707.06453, 7 2017.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multi-stage preconditioners for thermal–compositional–reactive flow in porous media

We present a family of multi-stage preconditioners for coupled thermal-compositional-reactive reservoir simulation problems. The most common preconditioner used in industrial practice, the Constrained Pressure Residual (CPR) method, was designed for isothermal models and does not offer a specific strategy for the energy equation. For thermal simulations, inadequate treatment of the temperature unknown can cause severe conver-gence degradation. When strong thermal diffusion is present, the energy equation exhibits significant elliptic behavior that cannot be accurately corrected by CPR's second stage. In this work, we use Schur-complement decompositions to extract a temperature subsystem and apply an Algebraic MultiGrid (AMG) approximation as an additional preconditioning stage to improve the treatment of the energy equation. We present results for several two-dimensional hot air injection problems using an extra heavy oil, including challenging reactive In-Situ Combustion (ISC) cases. We show improved performance and robustness across different thermal regimes, from advection dominated (high Péclet number) to diffusion dominated (low Péclet number). The number of linear iterations is reduced by 40–85% compared to standard CPR for both homogeneous and heterogeneous media, and the new methods exhibit almost no sensitivity to the thermal regime.

42 ENGINEERING↗

Probabilistic Calibration of Expensive Models using Efficiently Trained Surrogates

Calibration of computational models in the presence of uncertainty is often cast as a Bayesian inference problem and solved via sampling methods, e.g., Markov chain Monte Carlo. When the computational model is expensive, this task becomes intractable due to the large number of samples required to accurately estimate the posterior distribution of the calibration parameters. A popular solution to this problem is to use machine learning to develop a faster-to-evaluate, lower-fidelity substitute for the original model to serve as a surrogate while solving the inference problem. Although considered an offline cost, generating training data to construct this surrogate model can still be an expensive task in practice. An active learning algorithm is presented that focuses training on improving surrogate accuracy specifically in and around the bulk of the posterior distribution, as this is where the model is exercised during calibration. Candidate samples are drawn from families of distributions related to an approximation of the posterior. The sample maximizing predictive variance is then selected for evaluation by the original computational model, yielding a label for the training point. Iterating this approach increases efficiency relative to space filling designs (e.g., Latin hypercube sampling) by avoiding low probability points. Practical considerations are discussed, including the benefits of using a sequential Monte Carlo sampling approach, convergence heuristics, and the importance of both exploration and exploitation given that the true posterior is unknown a priori.

uncertainty quantification↗

Practical Multi-Cycle Refueling Simulation of Stable Salt Reactors Based on REBUS Depletion Calculation

A Python software tool ReloadPy has been developed to assistant in formulating online refueling strategies for a family of stable salt reactors. ReloadPy wraps over the legacy fast reactor analysis codes REBUS, DIF3D, and PERSENT. These codes are used to perform single cycle depletion analysis and calculate reactivity worth and power density. ReloadPy determines a refueling assembly position to achieve the user-specified primary objective while satisfying constraints on various performance parameters such as the maximum power density, the maximum reactivity worth of reloaded assembly, and the minimum cycle length. Various capabilities of prescribing refueling sequence or a range of candidate refueling positions and restarting a previous simulation with altered options are implemented to reduce the required user’s efforts to investigate different refueling strategies. This report presents the computational models and methods and also serves as a user guide. Long-term simulation capabilities with different refueling strategies are demonstrated by a series of sample SSR refueling calculations with two-dimensional surrogate core models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗