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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 811 records · Page 45

Distributed Parallel Particle Advection using Work Requesting

Particle advection is an important vector field visualization technique that is difficult to apply to very large data sets in a distributed setting due to scalability limitations in existing algorithms. In this paper, we report on several experiments using work requesting dynamic scheduling which achieves balanced work distribution on arbitrary problems with minimal communication overhead. We present a corresponding prototype implementation, provide and analyze benchmark results, and compare our results to an existing algorithm.

97 MATHEMATICS AND COMPUTING↗

Space Nuclear Thermal Propulsion Critical Assembly Boron Worth Experiments

The Space Nuclear Thermal Propulsion (SNTP) project was an attempt to create a more powerful and more efficient rocket engine utilizing nuclear technologies. As part of this project a zero-power critical assembly referred to as SNTPCX was designed and installed at Sandia National Laboratories. The SNTP-CX was a light water moderated particle bed reactor utilizing highly enriched uranium fuel in the form of UC particles. The SNTP-CX performed 142 runs covering numerous experiments from the year 1989 to 1992. The program was canceled in 1994 as the nation’s priorities shifted. Now these experiments are being evaluated for use as criticality safety benchmarks. Nineteen of the 142 reactor runs were dedicated to a series of experiments to calculate the worth of the boron used in the light water moderator. This series of experiments has been selected for further evaluation as a critical benchmark for the International Criticality Safety Benchmark Evaluation Project (ICSBEP).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Benchmarking Soft Sensors for Remote Monitoring of On-Site Wastewater Treatment Plants

On-site wastewater treatment plants (OSTs) are usually unattended, so failures often remain undetected and lead to prolonged periods of reduced performance. To stabilize the performance of unattended plants, soft sensors could expose faults and failures to the operator. In a previous study, we developed soft sensors and showed that soft sensors with data from unmaintained physical sensors can be as accurate as soft sensors with data from maintained ones. The monitored variables were pH and dissolved oxygen (DO), and soft sensors were used to predict nitrification performance. In the present study, we use synthetic data and monitor three plants to test these soft sensors. We find that a long solids retention time and a moderate aeration rate improve the pH soft-sensor accuracy and that the aeration regime is the main operational parameter affecting the accuracy of the DO soft sensor. We demonstrate that integrated design of monitoring and control is necessary to achieve robustness when extrapolating from one OST to another in the absence of plant-specific fine-tuning. Additionally, we provide a unique labeled dataset for further feature and data-driven soft-sensor development. Our benchmarking results indicate that it is feasible to monitor OSTs with unmaintained sensors and without plant-specific tuning of the developed soft sensors. This is expected to drastically reduce monitoring costs for OST-based sanitation systems.

54 ENVIRONMENTAL SCIENCES↗

Towards a Benchmark Experiment with the Compact Nuclear Power Source

The Compact Nuclear Power Source (CNPS) was a high-assay low enriched uranium (HALEU) tristructural isotropic (TRISO)-fueled, graphite-moderated microreactor constructed in 1987 at Los Alamos National Laboratory. The reactor, conceived as a power source for short-range radar stations, was designed to be "walk-away safe," and was cooled by heat pipes and ambient air. Though the project was formally cancelled after the fuel and moderator material had been received, its potential to meaningfully advance the body of critical and integral data was evident, and critical experiments with a mock-up of the reactor proceeded at TA-18 until its disassembly in 1991. The reflector and some components of the core would later go on to see service as part of the New Production Reactor Modular High-Temperature Gas-Cooled Reactor (NP-MHTGR) critical experiments. In light of the progress made by groups like Westinghouse and X-Energy towards contemporary graphite-moderated microreactors, the system remains an attractive candidate for the basis of a benchmark experiment even today. Uncertainties remain, however, in some features of the system–inconsistencies in the dimensions and composition of the reactor’s components as described in literature and implemented in current computational models. The identification, quantification, and to the extent possible, the minimization of these uncertainties is a crucial task on the path towards creating a benchmark based on the CNPS system. The present work seeks to initiate this process with a survey of available documentation and improvements to the accuracy of CNPS neutronics models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Heterogeneous Multi-Domain Dataset Synthesis to Facilitate Privacy and Risk Assessments in Smart City IoT

The emergence of the Smart Cities paradigm and the rapid expansion and integration of Internet of Things (IoT) technologies within this context have created unprecedented opportunities for high-resolution behavioral analytics, urban optimization, and context-aware services. However, this same proliferation intensifies privacy risks, particularly those arising from cross-modal data linkage across heterogeneous sensing platforms. To address these challenges, this paper introduces a comprehensive, statistically grounded framework for generating synthetic, multimodal IoT datasets tailored to Smart City research. The framework produces behaviorally plausible synthetic data suitable for preliminary privacy risk assessment and as a benchmark for future re-identification studies, as well as for evaluating algorithms in mobility modeling, urban informatics, and privacy-enhancing technologies. As part of our approach, we formalize probabilistic methods for synthesizing three heterogeneous and operationally relevant data streams—cellular mobility traces, payment terminal transaction logs, and Smart Retail nutrition records—capturing the behaviors of a large number of synthetically generated urban residents over a 12-week period. The framework integrates spatially explicit merchant selection using K-Dimensional (KD)-tree nearest-neighbor algorithms, temporally correlated anchor-based mobility simulation reflective of daily urban rhythms, and dietary-constraint filtering to preserve ecological validity in consumption patterns. In total, the system generates approximately 116 million mobility pings, 5.4 million transactions, and 1.9 million itemized purchases, yielding a reproducible benchmark for evaluating multimodal analytics, privacy-preserving computation, and secure IoT data-sharing protocols. To show the validity of this dataset, the underlying distributions of these residents were successfully validated against reported distributions in published research. We present preliminary uniqueness and cross-modal linkage indicators; comprehensive re-identification benchmarking against specific attack algorithms is planned as future work. This framework can be easily adapted to various scenarios of interest in Smart Cities and other IoT applications. By aligning methodological rigor with the operational needs of Smart City ecosystems, this work fills critical gaps in synthetic data generation for privacy-sensitive domains, including intelligent transportation systems, urban health informatics, and next-generation digital commerce infrastructures.

IoT↗

Implementation of Parallel Adaptive-Krylov Exponential Solvers for Stiff Problems

Recently exponential integrators have been receiving increased attention as a means of solving large stiff systems of ODEs. Preliminary performance analysis demonstrated that exponential integrators hold promise compared to state-of-the-art implicit methods. However, much work remains to be done to understand in detail possible computational advantages these methods may offer in practice. This is particularly true for supercomputer-scale problems as there has been very little work on parallelizing exponential methods. In this paper we describe an implementation of a suite of parallel exponential solvers. Additionally, we present some performance tests on four stiff benchmark problems of a particular adaptive-Krylov exponential propagation iterative Runge--Kutta (EPIRK) method from the suite, and compare efficiency with the Newton--Krylov implicit solver CVODE.

97 MATHEMATICS AND COMPUTING↗

Augmenting a Simulation Campaign for Hybrid Computer Model and Field Data Experiments

The Kennedy and O’Hagan (KOH) calibration framework uses coupled Gaussian processes (GPs) to meta-model an expensive simulator (first GP), tune its “knobs” (calibration inputs) to best match observations from a real physical/field experiment and correct for any modeling bias (second GP) when predicting under new field conditions (design inputs). There are well-established methods for placement of design inputs for data-efficient planning of a simulation campaign in isolation, that is, without field data: space-filling, or via criterion like minimum integrated mean-squared prediction error (IMSPE). Analogues within the coupled GP KOH framework are mostly absent from the literature. Here, in this study, we derive a closed form IMSPE criterion for sequentially acquiring new simulator data for KOH. We illustrate how acquisitions space-fill in design space, but concentrate in calibration space. Closed form IMSPE precipitates a closed-form gradient for efficient numerical optimization. We demonstrate that our KOH-IMSPE strategy leads to a more efficient simulation campaign on benchmark problems, and conclude with a showcase on an application to equilibrium concentrations of rare earth elements for a liquid–liquid extraction reaction.

97 MATHEMATICS AND COMPUTING↗

Algal Biomass Conversion to Fuels via Combined Algae Processing (CAP): 2020 State of Technology and Future Research

The annual State of Technology (SOT) assessment is an essential activity for platform research conducted under the Bioenergy Technologies Office. It allows for the impact of research progress to be quantified in terms of economic improvements in the overall biofuel production process for a particular biomass processing pathway, whether based on terrestrial or algal biomass feedstocks. As such, initial benchmarks can be established for currently demonstrated performance, and progress can be tracked towards out-year goals to ultimately demonstrate economically viable biofuel technologies. NREL's algae state of technology benchmarking efforts focus both on front-end algal biomass production and separately on back-end conversion to fuels through NREL's "combined algae processing" (CAP) pathway. The production model is based on outdoor long-term cultivation data, enabled by comprehensive algal biomass production trials conducted under the Development of Integrated Screening, Cultivar Optimization, and Verification Research consortium (DISCOVR) efforts, driven by data furnished by Arizona State University (ASU) at the Arizona Center for Algae Technology and Innovation (AzCATI) testbed site. The CAP model is based on experimental efforts conducted under NREL research and development projects. This report focuses on back-end conversion of algal biomass through the CAP pathway, highlighting the 2020 updates to minimum fuel selling price (MFSP). Notably, this analysis marks the first time that polyurethane (PU) is included as a value-added coproduct in the SOT case. Relative to prior 2019 benchmarks, the 2020 CAP SOT achieved further MFSP reductions of over $4/gallon gasoline equivalent, reflective of (a) the inclusion of PU co-production, (b) reduced SOT biomass production costs, and (c) higher pretreatment sugar yield data.

09 BIOMASS FUELS↗

Robotics Verification and Validation Strategies for Perseverance Rover Sampling and Caching

The Mars 2020 Sampling and Caching Subsystem(SCS) is the most complex robotic system ever fielded on a MarsRover. It includes a 5 degree-of-freedom Robotic Arm, coringdrill, gas Dust Removal Tool, interfaces for two turret-mountedinstruments, and an Adaptive Caching Assembly (ACA). TheACA is itself a complex robotic system, containing hardware tosupport docking and bit exchange, a 3 degree-of-freedomSample Handling Assembly for manipulating sample tubes,storage for several drill bits and sample tubes, and mechanismsto support observing and sealing samples collected by the drill.To successfully verify and validate the SCS hardware andsoftware and its integration with the Mars 2020 flight systemseveral key strategies were employed.The SCS Verification and Validation (V&V) program utilizedmultiple test venues with tiered levels of fidelity. These includedsimulation and visualization software environments, low fidelitydevelopment testbeds, testbeds with high fidelity SCS hardwareand commercial off-the shelf avionics, integrated systemtestbeds with flight-like avionics, and environmental testbedscapable of simulating Martian surface temperature andpressure. Multiple units of each SCS hardware componentmoved fluidly between test venues to accomplish myriadstandalone and coordinated test objectives. Test preparationand executions were performed by a diverse team of engineerswith training and technical ownership tailored for individualexperience and role. Despite significant differences between testvenues, the SCS V&V team established efficient and consistentprocesses and tools for procedure development, test execution,and data review that enabled personnel, as well as technicalproducts such as sequences and parameter configurations, toflow between venues effectively. A series of benchmark testsprovided evidence of performance consistency as elements weretransferred between venues and as system capability evolved.This paper provides an overview of the SCS V&V program andexplores several overarching strategies that enabled successfuloperation in the face of unprecedented complexity. Keyoutcomes of the SCS validation effort are summarized, alongwith lessons learned and beneficial integrations of validationtool and process innovations into Mars surface operations.

Brooks, Sawyer↗

Search for new physics with dijet angular distributions in proton-proton collisions at $ \sqrt{s}=13 $ TeV

A search is presented for extra spatial dimensions, quantum black holes, and quark contact interactions in measurements of dijet angular distributions in proton-proton collisions at $ \sqrt{s}=13 $ TeV. The data were collected with the CMS detector at the LHC and correspond to an integrated luminosity of 2.6 fb$^{−1}$. The distributions are found to be in agreement with predictions from perturbative quantum chromodynamics that include electroweak corrections. Limits for different contact interaction models are obtained. In a benchmark model, valid to next-to-leading order in QCD and in which only left-handed quarks participate, quark contact interactions are excluded up to a scale of 11.5 and 14.7 TeV for destructive or constructive interference, respectively. The production of quantum black holes is excluded for masses below 7.8 or 5.3 TeV, depending on the model. The lower limits for the scales of virtual graviton exchange in the Arkani-Hamed-Dimopoulos-Dvali model of extra spatial dimensions are in the range 7.9–11.2 TeV, and are the most stringent set of limits available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Broadband Fourier-Transform-Detected EPR at W-Band

This manuscript reports development of wideband Fourier transform (FT) electron paramagnetic resonance (EPR) detection capability at the uniquely high frequency of 94 GHz. Here, this technique is based on the HiPER spectrometer developed at the University of St. Andrews, into which we have integrated an arbitrary waveform generator (AWG) that is used to modulate the output from a solid-state multiplier chain prior to amplification, generating up to 1 kW microwave power with 1 GHz bandwidth. Benchmark experiments are presented for a standard TEMPOL radical, which comprises a 500 MHz broad EPR spectrum at 94 GHz. Using a single frequency-swept microwave pulse, efficient inversion of this spectrum is demonstrated, enabling frequency-dependent studies of the magnetization relaxation in the time-domain, again via broadband echo detection. From these measurements, an anisotropy in the spin–lattice relaxation time, T 1 , can be determined with ease for TEMPOL. In addition, we implement the FT detection scheme for multi-dimensional (electron–electron double resonance, or ELDOR) experiments, demonstrating the full capabilities of the HiPER spectrometer. As an example, we present FT-detected version of the ELDOR-detected nuclear magnetic resonance technique for the TEMPOL radical. We also describe potential applications of the new instrumentation for studies of gadolinium qubits.

36 MATERIALS SCIENCE↗

A sharp interface Lagrangian-Eulerian method for rigid-body fluid-structure interaction

Herein this paper introduces a sharp interface method to simulate fluid-structure interaction (FSI) involving rigid bodies immersed in viscous incompressible fluids. The capabilities of this methodology are benchmarked using a range of test cases and demonstrated using large-scale models of biomedical FSI. The numerical approach developed herein, which we refer to as an immersed Lagrangian-Eulerian (ILE) method, integrates aspects of partitioned and immersed FSI formulations by solving separate momentum equations for the fluid and solid subdomains, as in a partitioned formulation, while also using non-conforming discretizations of the dynamic fluid and structure regions, as in an immersed formulation. A simple Dirichlet-Neumann coupling scheme is used, in which the motion of the immersed solid is driven by fluid traction forces evaluated along the fluid-structure interface, and the motion of the fluid along that interface is constrained to match the solid velocity and thereby satisfy the no-slip condition. To develop a practical numerical method, we adopt a penalty approach that approximately imposes the no-slip condition along the fluid-structure interface. In the coupling strategy, a separate discretization of the fluid-structure interface is tethered to the volumetric solid mesh via stiff spring-like penalty forces. Our fluid-structure coupling scheme relies on an immersed interface method (IIM) for discrete geometries, which enables the accurate determination of both velocities and stresses along complex internal interfaces. Numerical methods for FSI can suffer from instabilities related to the added mass effect, but computational tests indicate that the methodology introduced here remains stable for selected test cases across a broad range of solid-fluid mass density ratios, including extremely small, nearly equal, equal, and large density ratios. Biomedical FSI demonstration cases include results obtained using this method to simulate the dynamics of a bileaflet mechanical heart valve in a pulse duplicator, and to model transport of blood clots in a patient-averaged anatomical model of the inferior vena cava.

97 MATHEMATICS AND COMPUTING↗

Performance of an atomic mean-field spin–orbit approach within exact two-component theory for perturbative treatment of spin–orbit coupling

The paper reports development of an atomic mean-field (AMF) spin–orbit approach within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e), a new relativistic quantum-chemical method for treating spin-orbit coupling in molecules. The effective one-electron spin–orbit integral matrix in the four-component representation is assembled as a direct sum of one-centre spin–orbit integral matrices with the mean-field two-electron contributions evaluated using atomic SFX2C-1e Hartree–Fock density matrices. It is then transformed into two-component representation using analytic SFX2C-1e energy derivative formulation. The resulting two-component spin–orbit integral matrix is by design suitable for use in perturbative calculations of spin–orbit coupling, treating SFX2C-1e wavefunctions as unperturbed states. The accuracy of the present AMF approach has been demonstrated using benchmark calculations of spin–orbit splittings for representative diatomic radicals at the equation-of-motion coupled-cluster singles and doubles level. In conclusion, to demonstrate the applicability and accuracy of the present perturbative spin–orbit scheme in calculations of challenging heavy-element containing systems, a thorough computational investigation of six low-lying electronic states of ThO+ is reported.

74 ATOMIC AND MOLECULAR PHYSICS↗

The IEEE Reliability Test System: A Proposed 2019 Update

The evolving nature of electricity production, transmission and consumption necessitates an update to the IEEE's Reliability Test System, which was last modernized in 1996. The update introduced here introduces a generation mix more representative of modern power systems, with the removal of several nuclear and oil generating units and the addition of natural gas, wind, solar photovoltaics, concentrating solar power, and energy storage. The update includes assigning the test system a geographic location in the southwestern United States to enable the integration of spatio-temporally consistent wind, solar, and load data with forecasts. Further updates include common RTS transmission modifications in published literature, definitions for reserve product requirements and market simulation descriptions to enable benchmarking of multi-period power system scheduling problems. The final section reflects example results from a production cost modeling simulation on the updated RTS system data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Atomic and Molecular Physics Effects on Ion Flow into Hot Surfaces

Research during this project at the University of Wisconsin Fusion Technology Institute (UW FTI) on ion and neutral flow through an arbitrary, monotonic potential difference created by nearly transparent electrodes accomplished the following: (1) developed and implemented an integral equation approach for atomic physics effects in helium plasmas; (2) extended the analysis to coupled integral equations that treat atomic and molecular deuterium ions and neutrals; (3) implemented the key deuterium and helium atomic and molecular cross sections; (4) added negative ion production and related cross sections; and (5) benchmarked the code against experimental results. The analysis and codes treat the species D 0 , D 2 0 , D + , D 2 + , D 3 + , D - and, separately at present, He 0 and He + . Extensions enhanced the analysis and related computer codes to include He ++ ions plus planar and cylindrical geometries.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Performance Analysis of Scientific Computing Workloads on Trusted Execution Environments

Scientific computing sometimes involves computation on sensitive data. Depending on the data and the execution environment, the HPC (high-performance computing) user or data provider may require confidentiality and/or integrity guarantees. To study the applicability of hardware-based trusted execution environments (TEEs) to enable secure scientific computing, we deeply analyze the performance impact of AMD SEV and Intel SGX for diverse HPC benchmarks including traditional scientific computing, machine learning, graph analytics, and emerging scientific computing workloads. We observe three main findings: 1) SEV requires careful memory placement on large scale NUMA machines (1x -3.4x slowdown without and 1x -1.15x slowdown with NUMA aware placement), 2) virtualization - a prerequisite for SEV - results in performance degradation for workloads with irregular memory accesses and large working sets (1x -4x slowdown compared to native execution for graph applications) and 3) SGX is inappropriate for HPC given its limited secure memory size and inflexible programming model (1.2x -126x slowdown over unsecure execution). Finally, we discuss forthcoming new TEE designs and their potential impact on scientific computing.

97 MATHEMATICS AND COMPUTING↗

Overview of the Dragonfly Entry Aerosciences Measurements (DrEAM) Suite

NASA Ames and Langley arepartnering with DLR to propose acomprehensive instrumentation suite known as the Dragonfly Entry Aerosciences Meas-urements (DrEAM). DrEAM being the first competed mission to fly EDL instrumentation as part of NASA’s Engineering Science Investigation (ESI).DrEAM will provide key aerothermodynamicdata and performance analysisfor Dragonfly’s forebody and backshell therma lprotection system (TPS),and also includes a DLR-provided Data Acquisition System(DAS).Titan’s atmosphere predominantly consists of nitro-gen (~98% by mole) with small amounts of methane(~2% by mole)and other trace gases. CN is a strong ra-diator and is found in nonequilibriumconcentrationsfor Titan entry. The accurate modeling of nonequilibrium CN radiation has proven to be a difficult task. Prompted by the Huygensmission, many experimental campaigns and analyses were performed to better understand the aerothermal environments experience by the probe dur-ing Titan entry[1].However, the Huygens probe carried no heatshieldinstrumentation. Therefore,the DrEAM instrumentation suite will significantly advance the state-of-the-art not only by documenting theenviron-ment and performance of Dragonfly’sentry system but also by making keymeasurements in Titan’s atmos-phere for thefirst time, thus providing new benchmark dataapplicable to entry science more generally. Current Measurement Goals: Aerothermal envi-ronments and TPS responsewill be measured using sen-sors similarto the Mars Entry, Descent, and Landing In-strumentation2 (MEDLI2) Integrated Sensor Plug(MISP) and the COMbined Aerothermaland Radiome-ter Sensor (COMARS)suite[2], with the latter supplied by DLR.For MEDLI2, MISP usedembedded thermo-couples (TCs) todirectly measure in-depth temperature of theTPS at several locations,which can also be used to infer surface environmentsvia inverse analysis. For DrEAM, the MISPstyle plugswill be known as Drag-onfly Sensors for Aero-Thermal Reconstruction (Drag-STR)plugs. On Schiaparelli, the COMARSsuite in-cludedthree total surface-mounted heatflux sensors, three pressure sensors, and one radiometer. For DrEAM, the COMARS package will be known as COmbined Sensor System for Titan Atmosphere (COSSTA). Atmospheric density measurements and capsuleaerodynamic data will be obtained throughthe onboard Inertial Measurement Unit (IMU),supple-mented by pressure transducers similar tothose used by the MEDLI Mars Entry AtmosphericData System (MEADS).The DrEAM pressure sensors will be known as Dragonfly Atmospheric Flight Transducers(DrAFT) Both DragSTR and DrAFThave flight heritagefrom MISP and MEADS on the MSLand Mars 2020mis-sions, and the COMARS suite successfullyflew on the ESA Schiaparelli EDMlander. A preliminary layout of the sensors is shown in Fig. 1. Because Dragonflyuses the same aeroshell provider (i.e., LockheedMartin) and materials for the TPS,with what are expected to be sim-ilar thicknesses as MSL and Mars 2020on both the heat shield and backshell, theDrEAMinstrumentation will look to utilize the same techniques and processes as de-veloped byMEDLI and MEDLI2for vehicle integra-tion. This commonality alsoenables DrEAMto lever-age the extensiveground test qualifications performed forMEDLI and MEDLI2 and claim substantial heritagefor this system.

A Brandis↗

Best-estimate Modeling of the High Temperature Test Facility with RELAP5-3D

Prismatic HTGRs are a concept of interest for near-term deployment. While plenty of validation data exist for standalone neutronics or multiphysics modeling, the availability of integral effects thermal hydraulics validation data is more limited. The High Temperature Test Facility provides such data and is used as the basis for the High-Temperature Gas-Cooled Reactor Thermal Hydraulics Benchmark. This presentation presents results of best-estimate modeling of HTTF experiments PG-27 and PG-29 using the RELAP5-3D ring model developed at Idaho National Laboratory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗