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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Elastic-Plastic Fracture Mechanics Analysis of Critical Flaw Size in ARES I-X Flange-to-Skin Welds

NASA's Ares 1 Upper Stage Simulator (USS) is being fabricated from welded A516 steel. In order to insure the structural integrity of these welds it is of interest to calculate the critical initial flaw size (CIFS) to establish rational inspection requirements. The CIFS is in turn dependent on the critical final flaw size (CFS), as well as fatigue flaw growth resulting from transportation, handling and service-induced loading. These calculations were made using linear elastic fracture mechanics (LEFM), which are thought to be conservative because they are based on a lower bound, so called elastic, fracture toughness determined from tests that displayed significant plasticity. Nevertheless, there was still concern that the yield magnitude stresses generated in the flange-to-skin weld by the combination of axial stresses due to axial forces, fit-up stresses, and weld residual stresses, could give rise to significant flaw-tip plasticity, which might render the LEFM results to be non-conservative. The objective of the present study was to employ Elastic Plastic Fracture Mechanics (EPFM) to determine CFS values, and then compare these values to CFS values evaluated using LEFM. CFS values were calculated for twelve cases involving surface and embedded flaws, EPFM analyses with and without plastic shakedown of the stresses, LEFM analyses, and various welding residual stress distributions. For the cases examined, the computed CFS values based on elastic analyses were the smallest in all instances where the failures were predicted to be controlled by the fracture toughness. However, in certain cases, the CFS values predicted by the elastic-plastic analyses were smaller than those predicted by the elastic analyses; in these cases the failure criteria were determined by a breakdown in stress intensity factor validity limits for deep flaws (a greater than 0.90t), rather than by the fracture toughness. Plastic relaxation of stresses accompanying shakedown always increases the calculated CFS values compared to the CFS values determined without shakedown. Thus, it is conservative to ignore shakedown effects.

Chell, G. Graham↗
DOE OSTI2024

Asynchronous GPU-based DEM solver embedded in commercial CFD software with polyhedral mesh support

A novel graphical processing unit-based discrete element method solver is introduced to improve stability, performance, and provide seamless integration into commercial or open-source computational fluid dynamics software. A key innovation is eliminating a need for network communication between solvers, which was previously required for cross-platform coupling. This is accomplished by a direct coupling method that employs dynamic-linked libraries. Furthermore, the solver optimizes memory usage by streamlining the particle-cell search algorithm by eliminating the cells' searching grid. This ensures the solver is compatible with a wide range of mesh types, providing high geometric flexibility. The approach simplifies the simulation process by directly incorporating computational fluid dynamics mesh information into the discrete element method solver. The performance analysis indicates about sixteen times boost in computational speed compared to benchmark central processing unit-based solvers. Finally, the solver's compatibility with polyhedral meshes, a vital advantage for complex geometries, is tested against a referenced study regarding the simulation of an immersed-tube fluidized bed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1995

Efficient modeling of interconnects and capacitive discontinuities in high-speed digital circuits

Modeling of interconnects and associated discontinuities with the recent advances high-speed digital circuits has gained a considerable interest over the last decade although the theoretical bases for analyzing these structures were well-established as early as the 1960s. Ongoing research at the present time is focused on devising methods which can be applied to more general geometries than the ones considered in earlier days and, at the same time, improving the computational efficiency and accuracy of these methods. In this thesis, numerically efficient methods to compute the transmission line parameters of a multiconductor system and the equivalent capacitances of various strip discontinuities are presented based on the quasi-static approximation. The presented techniques are applicable to conductors embedded in an arbitrary number of dielectric layers with two possible locations of ground planes at the top and bottom of the dielectric layers. The cross-sections of conductors can be arbitrary as long as they can be described with polygons. An integral equation approach in conjunction with the collocation method is used in the presented methods. A closed-form Green's function is derived based on weighted real images thus avoiding nested infinite summations in the exact Green's function; therefore, this closed-form Green's function is numerically more efficient than the exact Green's function. All elements associated with the moment matrix are computed using the closed-form formulas. Various numerical examples are considered to verify the presented methods, and a comparison of the computed results with other published results showed good agreement.

Oh, K. S.↗
NASA NTRS1990

TRANSTRAIN: A program to compute strain transformations in composite materials

Over the years, the solid rocket motor community has made increasing use of composite materials for thermal and structural applications. This is particularly true of solid rocket nozzles, which have used carbon phenolic and, increasingly, carbon-carbon materials to provide structural integrity and thermal protection at the high temperatures encountered during motor burn. To evaluate the degree of structural performance of nozzles and their materials and to verify analysis models, many subscale and full-scale tests are run. These provide engineers with valuable data needed to optimize design and to analyze nozzle hardware. Included among these data are strains, pressures, thrust, temperatures, and displacements. Recent nozzle test hardware has made increasing use of strain gauges embedded in the carbon composite material to measure internal strains. In order to evaluate strength, these data must be transformed into strains along the fiber directions. The fiber-direction stresses can then be calculated. A computer program written to help engineers correctly manipulate the strain data into a form that can be used to evaluate structural integrity of the nozzle is examined.

Ahmed, Rafiq↗
DOE OSTI2026

Shakeup and shakeoff spectra in the electron capture decay of atomic 7 Be

The most stringent laboratory-based experimental limits on the existence of submegaelectronvolt sterile neutrinos are currently set by decay spectroscopy of radioactive 7 Be embedded into superconducting sensors. The systematic uncertainties are dominated by the modeling of the electron shakeup and shakeoff spectra that are not based on state-of-the-art atomic theory and do not include electron correlations or relativistic effects. We have used the multiconfiguration Dirac-Fock formalism to obtain correlated wave functions ab initio and compute all single and double shake processes in the electron capture decay of atomic 7 Be . The simulations can explain some but not all of the observed spectral features, likely because the wave functions are modified by the Ta sensor material that the 7 Be is embedded into. The new models also show that the 𝐿/𝐾 electron capture ratio of 7 Be in Ta has previously been slightly underestimated revising the previous value of 0.070(7) to a new value of 0.0756(20).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

NSFnets (Navier-Stokes flow nets): Physics-informed neural networks for the incompressible Navier-Stokes equations

In the last 50 years there has been a tremendous progress in solving numerically the Navier-Stokes equations using finite differences, finite elements, spectral, and even meshless methods. Yet, in many real cases, we still cannot incorporate seamlessly (multi-fidelity) data into existing algorithms, and for industrial-complexity applications the mesh generation is time consuming and still an art. Moreover, solving ill-posed problems (e.g., lacking boundary conditions) or inverse problems is often prohibitively expensive and requires different formulations and new computer codes. Here, we employ physics-informed neural networks (PINNs), encoding the governing equations directly into the deep neural network via automatic differentiation, to overcome some of the aforementioned limitations for simulating incompressible laminar and turbulent flows. We develop the Navier-Stokes flow nets (NSFnets) by considering two different mathematical formulations of the Navier-Stokes equations: the velocity-pressure (VP) formulation and the vorticity-velocity (VV) formulation. Since this is a new approach, we first select some standard benchmark problems to assess the accuracy, convergence rate, computational cost and flexibility of NSFnets; analytical solutions and direct numerical simulation (DNS) databases provide proper initial and boundary conditions for the NSFnet simulations. The spatial and temporal coordinates are the inputs of the NSFnets, while the instantaneous velocity and pressure fields are the outputs for the VP-NSFnet, and the instantaneous velocity and vorticity fields are the outputs for the VV-NSFnet. This is unsupervised learning and, hence, no labeled data are required beyond boundary and initial conditions and the fluid properties. The residuals of the VP or VV governing equations, together with the initial and boundary conditions, are embedded into the loss function of the NSFnets. No data is provided for the pressure to the VP-NSFnet, which is a hidden state and is obtained via the incompressibility constraint without extra computational cost. Unlike the traditional numerical methods, NSFnets inherit the properties of neural networks (NNs), hence the total error is composed of the approximation, the optimization, and the generalization errors. Here, we empirically attempt to quantify these errors by varying the sampling (“residual”) points, the iterative solvers, and the size of the NN architecture. For the laminar flow solutions, we show that both the VP and the VV formulations are comparable in accuracy but their best performance corresponds to different NN architectures. The initial convergence rate is fast but the error eventually saturates to a plateau due to the dominance of the optimization error. For the turbulent channel flow, we show that NSFnets can sustain turbulence at , but due to expensive training we only consider part of the channel domain and enforce velocity boundary conditions on the subdomain boundaries provided by the DNS data base. We also perform a systematic study on the weights used in the loss function for balancing the data and physics components, and investigate a new way of computing the weights dynamically to accelerate training and enhance accuracy. In the last part, we demonstrate how NSFnets should be used in practice, namely for ill-posed problems with incomplete or noisy boundary conditions as well as for inverse problems. We obtain reasonably accurate solutions for such cases as well without the need to change the NSFnets and at the same computational cost as in the forward well-posed problems. As a result, we also present a simple example of transfer learning that will aid in accelerating the training of NSFnets for different parameter settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Unveiling the Role of Surface Ir-Oxo Species in O 2 Evolution at IrO 2 Electrocatalysts via Embedded Cluster Multireference Calculations

Understanding the mechanisms driving the oxygen evolution reaction (OER) on iridium oxide (IrO 2 )-based catalysts is essential to improving their performance and enabling an actual scale-up of water-splitting photoelectrochemical cells. The mechanistic pathways at IrO 2 interfaces have been extensively investigated computationally using density functional theory (DFT), which predicts a high-energy barrier for the last step of the OER of molecular oxygen detachment and release from the catalyst surface. Nevertheless, surface O 2 over- and under-binding results by standard generalized gradient approximation and hybrid density functionals, respectively, call for further analysis of this crucial step via multireference methods. Aiming at unveiling the nature of such a barrier, we hereby address the formation of O 2 from the most-stable IrO 2 (110) surface with both periodic DFT and an electrostatic embedded cluster approach at the n-electron valence-state perturbation theory. With this multireference approach, we find a value for the aforementioned energy barrier that is much closer to experimental indications than DFT ones. Here, an in-depth analysis of the involved molecular orbitals suggests that the origin of this barrier is related to the breaking of a π interaction between O 2 and Ir surface atom and to a significant additional O 2 interaction with adjacent electrophilic Ir-oxo species, which is present under experimental operating conditions. Besides shedding light on the mechanism of the OER on IrO 2 , these findings point out the importance of multireference methods for dissecting complex reactions at electrocatalytic interfaces and pave the route for further investigations with effective embedding approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Emission lines from condensing intracluster gas

We present computations of the emission-line spectra produced when hot gas cools nonuniformly. During inhomogeneous cooling, soft X-ray/extreme ultraviolet radiation from 10(exp 5) to 10(exp 7) K gas photoionizes coexisting clouds that have already cooled to 10(exp 4) K. Thus, strong emission lines emerge from both the high-ionization cooling gas and embedded low-ionization knots. This mechanism, which ought to operate naturally within the sonic radii of cooling flows, can generate optical emission-line spectra similar to those observed at the centers of many clusters of galaxies thought to contain such flows. We have computed the X-ray, ultraviolet (UV), optical, and infrared (IR) emission-line fluxes expected under a variety of intracluster conditions so that the self-irradiation hypothesis can be compared thoroughly with observations. If this picture is found to be adequate, the models can also be used to measure mass flow rates and inflow velocities in the vicinities of cooling-flow nebulae and to constrain the column densities and covering factors of condensed material at the centers of these clusters.

Voit, G. Mark↗
DOE OSTI2020

Metal-embedded fiber optic sensor packaging and signal demodulation scheme towards high-frequency dynamic measurements in harsh environments

Optical fiber-based sensors are commonly used for industrial monitoring and control processes due to their small size, resistance to electromagnetic interference, and ability to perform a wide variety of high-precision measurements. However, implementing optical fiber sensors in harsh environments is challenging because they are small and fragile. Proper packaging of fiber-optic sensors could extend their use to harsh environments, including at high temperature and under high radiation. Furthermore, conventional fiber optic-based measurement systems often use computationally expensive signal processing algorithms which hinder their use in high-frequency dynamic applications. This work reports on the design of an optical fiber-pressure sensor system based on low-coherence interferometry that uses a metal-embedded optical fiber to provide a robust sensor package. Additionally, a novel phase demodulation scheme is proposed to extract length changes from the deformation of a thin diaphragm within a Fabry–Pérot cavity to measure pressure. The sensor has been tested to ±100 kPa, has a theoretical linear response over a 270 kPa dynamic range (24 dB maximum signal-to-noise ratio), and can resolve pressure transients up to 3910 kPa/s. Sampling at 100 kHz, the present sensor can resolve 2 kPa dynamic pressures at frequencies up to 2 kHz. Faster transients on the order of tens to hundreds of kHz can theoretically be resolved at the expense of decreasing the maximum resolvable amplitude. A methodology for designing a LCI pressure sensor for a given application is outlined based on the limitations imposed by the Nyquist criterion, the diaphragm's resonant frequency, the LCI optoelectronics, and the phase demodulation scheme. The sensor is the first to implement a low-coherence light source and a Fabry–Pérot interferometer designed to provide real-time high-fidelity pressure measurements using a metal-embedded optical fiber. The demonstrated sensor provides a platform for sensing in harsh conditions such as in nuclear and energy applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Integrate FARM with PID controllers: IES Simulation Ecosystem Control System Development

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM was designed to support the HERON software module in the solution of the optimal dispatch problem for IES units. As the result of HERON-FARM dispatch simulation, the set-point trajectories are optimized to meet constraints on both the production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and the process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.) at a coarse time resolution (every 10 or 100 seconds) over long time horizons (several days or weeks). In case the operational constraints need to be met at finer time resolution, the computational burden of HERON-FARM would linearly increase with the sampling rate, and sub-optimal solutions might be obtained. System responses characterized by overshoots and damped oscillations temporarily violating the imposed constraints might occur during abrupt power transients. In this report, a hierarchical control system architecture for the operation of the Dynamic Energy Technology and Integration Laboratory (DETAIL) facility constructed at INL was proposed. First, the preliminary studies on the proposed control strategy for operating the facility and the designed PI controllers were reviewed. In particular, the current approach for generating the set-point trajectories was studied, and its limits were identified. To this aim, the inclusion of a Supervisory Control layer embedding a modified version of the FARM algorithm for preserving the system safe operation over both long and real-time horizons was proposed. In this way, FARM would be applied twice, i.e., the original version (“FARM Validator”) aiding the solution of the power dispatch problem, and the modified version (“FARM Supervisory” coordinating the PI controllers to address the real-time control tasks. Despite the kernel of the two modules is the same algorithm, their roles, tasks, and capabilities are quite different. A detailed description of the role of FARM at addressing low-level control tasks is provided, along with tentative operational procedures for training the models embedded into the algorithm by using the collected experimental data.

42 ENGINEERING↗
DOE OSTI2022

Graph-based featurization methods for classifying small molecule compounds

For over a decade, drug-induced liver injury (DILI) has posed significant drawbacks in the synthesis and development of drugs and remains a consequential concern. With finite success within the existing preclinical models, DILI is one of the main causes of drug withdrawal or termination from the market. Particularly, this withdrawal occurs during the late stages of drug development (Kullak-Ublick, 2017). Since DILI is difficult to diagnose and treat, it has become an obstacle in the drug production market that in turn affects clinicians, pharmaceutical companies, and consumers. We propose a method for learning features of DILI-positive drugs based on the graphical relationships and patterns they possess within a network of biological databases. We also train various statistical and machine learning models on these learned features in order to classify the drugs as DILI-positive or negative. Our methods include Random Forest, Neural networks, and logistic regression classification. We utilize labeled DILI-positive and DILI-negative datasets, which were developed by the FDA and the National center for toxicological research, as well as additional literature datasets (Thakkar, 2020) in order to validate our results and assess our featurization and model accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Distributed microprocessors in a tactical universal modem

The distributed microprocessor system associated with a wideband signal conversion unit (WBSCU) is described. Multiple embedded 8086 and 2901 microprocessors, supported by dedicated hardware modules, perform the required real time operations for both transmit and receive functions. Commands from a host computer determine the configuration of the WBSCU via the IEEE 488 bus. Each of the four WBSCU channels is assigned to process a specified IF waveform; each channel configures its own resources and, in some cases, borrows resources from other channels. The processed waveform data is communicated from individual channels to redundant global memories. Data flow between the user community and global memories occurs via redundant 1553 buses through intelligent Bus Interface Units. Each WBSCU channel contains one 2901 bit slice machine and one 8086 microprocessor. The 2901 provides high speed processing capability for the most time critical operations. The 8086 is used for lower speed processing tasks where its high level language capability can be better exploited. Each 8086 has a global bus for wideband interprocessor communication, and a local bus for 8086/2901, master/slave communication. Software architecture consists of a control and communications structure governing mode dependent signal processing tasks.

Gray, D. M.↗
NASA NTRS1988

Training for 21st century space missions

Although specific recommendations are difficult to make about spacecraft and missions not yet designed, several general guidelines are presently formulated concerning the training of future, long-duration space mission crews. Training systems should be embedded in the normal controls and displays of the spacecraft used, so that critical maneuvers can be practiced as often as possible. Some system for computer-based training should be available onboard, in order to maintain the spacecraft system-knowledge of the crew at a high level and deepen understanding of malfunction responses.

Hughes, Frank E.↗
NASA NTRS1998

Data entry and error embedding system

A data entry and error embedding system in which, first, a document is bitmapped and recorded in a first memory. Then, it is displayed, and portions of it to be replicated by data entry are underlayed by a window, into which window replicated data is entered in location and size such that it is juxtaposed just below that which is replicated, enhancing the accuracy of replication. Second, with this format in place, selected portions of the replicated data are altered by the insertion of character or word substitutions, thus the embedding of errors. Finally, a proofreader would endeavor to correct the error embedded data and a record of his or her changes recorded. In this manner, the skill level of the proofreader and accuracy of the data are computed.

Woo, Jr., John↗
NASA NTRS2008

NDE Imaging of Time Differential Terahertz Waves

Natural voids are present in the vicinity of a conathane interface that bonds two different foam materials. These voids are out of focus with the terahertz imaging system and multiple optical reflections also make it difficult to determine their depths. However, waves passing through the top foam article at normal incidence are partially reflected at the denser conathane layer prior to total reflection at the tank s wall. Reflections embedded in the oscillating noise segment prior to the main signals can be extracted with dual applications of filtering and time derivative. Void's depth is computed from direct path's time of flight.

Trinh, Long B.↗
NASA NTRS2021

Benchmarking Planning Applications on the Qualcomm Snapdragon

We benchmark several space planning/scheduling applications on the Qualcomm Snapdragon 855 Handheld Development Kit (HDK), a high performance embedded processor used in many mobile phones.We are flying 2 Snapdragon HDKs onboard the International Space Station (ISS) where they are hosted by the the Spaceborne Computer-2 by Hewlett Packard Enterprise linked by USB and 12V power delivery. We run computational benchmarks using three planner/ schedulers that are used for several space missions: Multi- Mission Executive (MEXEC), Compressed Large-scale Activity Scheduling and Planning (CLASP), and M2020 Ground Scheduler (Surrogate). We compare the Snapdragon performance to a performance baseline on Linux workstations. In addition, we are currently working on benchmarking the same applications on other space flight processors, such as the LEON4 Processor on the Sabertooth card, the LEON3 Processor on the Sphinx card, and the RAD750 processor.

Chien, Steve↗
DOE OSTI2026

Shake-up and shake-off spectra in the electron capture decay of atomic $^7$Be

The most stringent laboratory-based experimental limits on the existence of sub-MeV sterile neutrinos are currently set by decay spectroscopy of radioactive $^7$Be embedded into superconducting sensors. The systematic uncertainties are dominated by the modeling of the electron shake-up and shake-off spectra that are not based on state-of-the-art atomic theory and do not include electron correlations or relativistic effects. We have used the multiconfiguration Dirac-Fock formalism to obtain correlated wavefunctions ab initio and compute all single and double shake processes in the electron capture decay of atomic $^7$Be. The simulations can explain some but not all of the observed spectral features, likely because the wave functions are modified by the Ta sensor material that the $^7$Be is embedded into. The new models also show that the L/K electron capture ratio of $^7$Be in Ta has previously been slightly underestimated revising the previous value of 0.070(7) to a new value of 0.0756(20).

Atomic Physics (physics.atom-ph)↗
DOE OSTI2025

Dispatch Manager for NEML2 Constitutive Model Calculations Embedded in MOOSE

This report describes the extended capabilities of the NEML2 constitutive modeling library, including a flexible and efficient work dispatching system designed to leverage both CPU and GPU resources. This enhancement addresses one of the primary computational challenges in large-scale simulations: the ability to distribute and execute batches of material model evaluations across heterogeneous computing devices. The new dispatch system introduces a modular set of dispatcher and scheduler classes that coordinate the flow of data and execution between devices. The dispatcher is responsible for efficiently packaging work, managing device-specific memory operations, and synchronizing results. This modularity allows for extensibility, making it straightforward to integrate additional computing backends in the future. From an implementation standpoint, the dispatcher system interfaces seamlessly with NEML2's existing models. They handle device-aware tensor operations, optimize memory transfers, and support asynchronous execution when applicable. This design ensures that batches of material points can be evaluated concurrently, substantially improving throughput compared to previous single-device or serial implementations. These improvements not only enhance the raw performance of NEML2 but also improve its usability in multiscale and high-fidelity simulations, where the simultaneous evaluation of large material point batches is critical. Benchmarks included in the report demonstrate the system’s scalability, highlighting its effectiveness when leveraging modern GPU architectures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗