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Results for “yield point”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Noise analysis of spaceborne IR spatial interferometer

Analysis is performed to determine the relationship between the signal-to-noise ratio and the integration time for a spaceborne IR heterodyne spatial interferometer. The analysis includes consideration of the transformation of the interferogram to obtain the angular intensity distribution. The results presented show that for an IR source such as IRC + 10216, an integration time of 50 seconds per interferogram point will yield a signal-to-noise ratio greater than 10 dB in the angular intensity profile obtained from a 30-point transformation.

Wolfe, R. H., Jr.↗
NASA NTRS1991

Theoretical characterization of the potential energy surface for the reversible reaction H + O2 yields HO2(asterisk) yields OH + O. III - Computed points to define a global potential energy surface

Computed energies and geometries are reported which, combined with previously published calculations, permit a global representation of the potential energy surface for the reaction H + O2 yields HO2(asterisk) yields OH + O. These new calculations characterize the potential energy surface (PES) for all H atom angles of approach to O2 and for the region of the inner repulsive wall. The region of the T-shaped H-O2 exchange saddle point is connected with the constrained energy minimum (CEM) path, and a new collinear H-O2 exchange saddle point is characterized which lies only 9 kcal/mol above the H + O2 asymptote. A vibrational analysis which utilizes local cubic and quartic polynomial representations of the PES along the CEM path has been carried out. Optimal geometries, energies, and harmonic frequencies are reported along with anharmonic analyses for the O2 and OH asymptotes and for the HO2 minimum region of the PES.

Walch, Stephen P.↗
DOE OSTI2022

Geometric prior of multi-resolution yielding manifolds and the local closest point projection for nearly non-smooth plasticity

Elastoplasticity models often introduce a scalar-valued yield function to implicitly represent the boundary between elastic and plastic material states. Here this paper introduces a new alternative where the yield envelope is represented by a manifold of which the topology and the geometry are learned from a set of data points in a parametric space (e.g. principal stress space, π-plane). Here, deep geometric learning enables us to reconstruct a highly complex yield envelope by breaking it down into multiple coordinate charts. The global atlas that consists of these coordinate charts in return allows us to represent the yield surface via multiple overlapping patches, each with a specific local parametrization. This setup provides several advantages over the classical implicit function representation approach. For instance, the availability of coordinate charts enables us to introduce an alternative stress integration algorithm where the trial stress may project directly on a local patch and hence circumvent the issues related to non-smoothness and the lack of convexity of yield surfaces. Meanwhile, the local parametric approach also enables us to predict hardening/softening locally in the parametric space, even without complete knowledge of the yield surface. Comparisons between the classical yield function approach on the non-smooth plasticity and anisotropic cam-clay plasticity model are provided to demonstrate the capacity of the models for highly precise yield surface and the feasibility of the implementation of the learned model in the local stress integration algorithm.

42 ENGINEERING↗
NASA NTRS1987

On the 1A1 - 3B1 separation in CH2 and SiH2

The 1A1 - 3B1 separation in CH2 and SiH2 has been computed using extended basis sets and CASSCF/SOCI wave functions. Using theoretical estimates for the effects of zero-point vibration yields T(0) values of 8.9 and -20.9 kcal/mol respectively, in excellent agreement with the experimental values of 9.02 and -21.0 kcal/mol. A corollary to the small zero-point vibrational contribution to the separation is that the symmetric stretching fundamental in CH2(3B1) must be near 3100/cm, much less than a recently suggested value of around 3400/cm. An accurate Te value for SiH2 establishes the ionization potential of the 1A1 state as 9.15 eV, the higher of two recent experimental values.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1987

Digital simulation of the SIR-C sensor electronics

In this paper software for simulation of the response of the SIR-C sensor to a point target is described. Synthetic SAR data is generated by passing successive chirps through a simulation of the transmitter electronics, propagation path and receiver electronics. This result is then processed with a digital correlator to yield the point target response of the system. This allows an accurate assessment of the effect of the radar design on the final image product.

Klein, Jeffrey D.↗
NASA NTRS1994

The nature of the compact X-ray source in the supernova remnant G27.4+0.0

High-resolution X-ray imaging data obtained with ROSAT is used to constrain the nature of the central compact source in the supernova remnant G27.4+0.0. Diffuse emission is seen from throughout the approximately 4 min diameter radio shell, while the central source remains unresolved at approximately 3 sec. We combine archival data from the Einstein HRI, IPC, and MPC with the ROSAT HRI data to define the X-ray spectra of the diffuse and point-like emission. The bulk of the shell radiation is consistent with that of a approximately 10(exp 7) K plasma, although a higher temperature component is also suggested by the data; coupled with the remnant's size and distance, we derive an age of between 500 and 2500 yr. The point source has a substantially harder spectrum, with a power-law photon index less than or approximately equal to 1. A search for periodic modulation from the point source yields upper limits ranging from 10%-35% for periods between 0.025 and 1000 s, depending on the assumed pulse shape. No aperiodic variability on timescales of from 10(exp 3) to 10(exp 8) s is required, although a factor of approximately 2 change between the Einstein and ROSAT eras is possible. We show that the point source cannot represent thermal emission from the surface of a young neutron star and is unlikely to be explained as nonthermal, Crab-like X-ray pulses or a small synchrotron nebula. The most likely models involve accretion-powered systems -- either a wind-fed neutron star with a massive companion or a low-mass X-ray binary. In all probability, this is the youngest X-ray binary in the Galaxy.

Helfand, David J.↗
NASA NTRS1997

MAP Attitude Control System Design and Analysis

The Microwave Anisotropy Probe (MAP) is a follow-on to the Differential Microwave Radiometer (DMR) instrument on the Cosmic Background Explorer (COBE) spacecraft. The MAP spacecraft will perform its mission in a Lissajous orbit around the Earth-Sun L(sub 2) Lagrange point to suppress potential instrument disturbances. To make a full-sky map of cosmic microwave background fluctuations, a combination fast spin and slow precession motion will be used. MAP requires a propulsion system to reach L(sub 2), to unload system momentum, and to perform stationkeeping maneuvers once at L(sub 2). A minimum hardware, power and thermal safe control mode must also be provided. Sufficient attitude knowledge must be provided to yield instrument pointing to a standard deviation of 1.8 arc-minutes. The short development time and tight budgets require a new way of designing, simulating, and analyzing the Attitude Control System (ACS). This paper presents the design and analysis of the control system to meet these requirements.

Andrews, S. F.↗
DOE OSTI2021

Effective point-charge analysis of crystal fields: Application to rare-earth pyrochlores and tripod kagome magnets 𝑅 ⁢3⁢ Mg⁢ 2 ⁢Sb⁢ 3⁢ O⁢ 14

An indispensable step to understand collective magnetic phenomena in rare-earth compounds is the determination of spatially anisotropic single-ion properties resulting from spin-orbit coupling and crystal field (CF). The CF Hamiltonian has a discrete energy spectrum—accessible to spectroscopic probes such as neutron scattering—controlled by a number of independent parameters reflecting the point symmetry of the magnetic sites. Determining these parameters in low-symmetry systems is often challenging. Here, we describe a general method to analyze CF excitation spectra using adjustable effective point-charges. We benchmark our method to existing neutron-scattering measurements on pyrochlore rare-earth oxides and obtain a universal point-charge model that describes a large family of related materials. We adapt this model to the newly discovered tripod kagome magnets (𝑅 3 ⁢Mg 2 ⁢Sb 3 ⁢O 14 , 𝑅 = Tb, Ho, Er, Yb) for which we report broadband inelastic neutron-scattering spectra. Analysis of these data using adjustable point-charges yields the CF wave functions for each compound. From this, we calculate thermomagnetic properties that accurately reflect our measurements on powder samples and predict the effective gyromagnetic tensor for pseudospin degrees of freedom—a crucial step to understand the exotic collective properties of these kagome magnets at low temperature. We present further applications of our method to other tripod kagome materials and triangular rare-earth compounds 𝑅⁢MgGaO 4 (𝑅 =Yb, Tm). Overall, this study establishes a widely applicable methodology to predict CF and single-ion properties of rare-earth compounds based on interpretable and adjustable models of effective point charges.

Crystal-field theory↗
DOE OSTI2021

A Rate Theory Model of Radiation-Induced Swelling in an Austenitic Stainless Steel

Many rate theory models of cavity (void) swelling have been published over the past 50 years, all having the same, or similar, structures. A rigorous validation of the models has not been possible because of the dearth of information concerning the microstructures that correspond with the swelling data. Whereas the lack of microstructure information is still an issue for historical swelling data, in the past 10–20 years data have been published on the evolution of the microstructure (point defect yields from collision cascades, cavity number densities, and dislocation densities/yield strengths) allowing certain gaps in information to be filled when considering historic swelling data. With reasonable estimates of key microstructure parameters, a standard rate theory model can be applied, and the model parameter space explored, in connection with historical swelling data. By using published data on: (i) yield strength as a function of dose and temperature (to establish an empirical expression for dislocation density evolution); (ii) cavity number densities as a function of temperature; and (iii) freely migrating defect (FMD) production as a function of primary knock-on atom (PKA) spectrum, the necessary parameter and microstructure inputs that were previously unknown can be used in model development. This paper describes a rate-theory model for void swelling of 316 stainless steel irradiated in the EBR-2 reactor as a function of irradiation temperature and neutron dose.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantifying uncertainty in Pareto estimates of global lake area

Abstract Size is a critical factor determining the rate and occurrence of specific lake processes such as carbon sequestration and greenhouse gas emissions and emerging evidence suggests that small lakes in particular have particularly large CO 2 flux rates. Because we do not have a complete census of all lakes, upscaling estimates of such processes to small lakes at broad spatial scales requires the use of lake size‐abundance distributions rather than empirical measurements of area. Existing lake census efforts are incomplete such that as lakes become smaller, they are more likely to be omitted either because they are too small to be resolved from remote sensing products or because of limited ground surveying effort (i.e., “censoring” of small lakes relative to large lakes). The present study explores one potential shortcoming of prior approaches estimating global lake area using lake size‐abundance distributions. Namely, that these prior approaches rely on frequentist curve fitting techniques combined with an ad‐hoc cutoff determination strategy (visual inspection to determine a likely censoring point). This yields an over‐exact lake area estimate that is typically reported with no uncertainty bounds. I show how these shortcomings can be addressed with a Bayesian model that produces larger estimates of lake area uncertainty relative to the typical approach. When used as part of a sensitivity analysis, such an approach has the potential to enable more robust intercomparisons among studies of aquatic processes upscaling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Acid–Base Chemistry of a Model IrO 2 Catalytic Interface

Iridium oxide (IrO 2 ) is one of the most efficient catalytic materials for the oxygen evolution reaction (OER), yet the atomic scale structure of its aqueous interface is largely unknown. Herein, the hydration structure, proton transfer mechanisms and acid-base properties of the rutile IrO 2 (110)-water interface are investigated using ab-initio based deep neural-network potentials and enhanced sampling simulations. The proton affinities of the different surface sites are characterized by calculating their acid dissociation constants, which yield a point of zero-charge in good agreement with experiments. A large fraction (≈ 80%) of adsorbed water dissociation is observed, together with a short lifetime (≈ 0.5 ns) of the resulting terminal hydroxy groups, due to rapid proton exchanges between adsorbed H 2 O and adjacent OH species. As a result, this rapid surface proton transfer supports the suggestion that the rate-determining step in the OER may not involve proton transfer across the double layer into solution, as indicated by recent experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Viability of perturbative expansion for quantum field theories on neurons

Neural Network (NN) architectures that break statistical independence of parameters have been proposed as a new approach for simulating local quantum field theories (QFTs) [1]. In the infinite neuron number limit, single-layer NNs can exactly reproduce QFT results. This paper examines the viability of this architecture for perturbative calculations of local QFTs for finite neuron number N using scalar ϕ 4 theory in d Euclidean dimensions as an example. We find that the renormalized O(1/N ) corrections to two-and four-point correlators yield perturbative series which are sensitive to the UV cut-off and therefore have a weak convergence. We propose a modification to the architecture to improve this convergence and discuss constraints on the parameters of the theory and the scaling of N which allow us to extract accurate field theory results.

Sen, Srimoyee [Iowa State University, Ames, IA (Un↗
DOE OSTI2021

Role of boundary conditions in quantum computations of scattering observables

Quantum computing may offer the opportunity to simulate strongly interacting field theories, such as quantum chromodynamics, with physical time evolution. This would give access to Minkowski-signature correlators, in contrast to the Euclidean calculations routinely performed at present. However, as with present-day calculations, quantum computation strategies still require the restriction to a finite system size, including a finite, usually periodic, spatial volume. In this work, we investigate the consequences of this in the extraction of hadronic and Compton-like scattering amplitudes. Using the framework presented in Briceño et al., we estimate the volume effects for various 1+1D Minkowski-signature quantities and show that these can be a significant source of systematic uncertainty, even for volumes that are very large by the standards of present-day Euclidean calculations. We then present an improvement strategy, based in the fact that the finite volume has a reduced symmetry. This implies that kinematic points, which yield the same Lorentz invariants, may still be physically distinct in the periodic system. As we demonstrate, both numerically and analytically, averaging over such sets can significantly suppress the unwanted volume distortions and improve the extraction of the physical scattering amplitudes. As the improvement strategy is based only in kinematics, it can be applied without detailed knowledge of the system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Computer Model Calibration with Time Series Data Using Deep Learning and Quantile Regression

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiments is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer input parameters by combining information from model runs and observational data. The existing standard calibration framework suffers from inferential issues when the model output and observational data are high-dimensional dependent data, such as large time series, due to the difficulty in building an emulator and the nonidentifiability between effects from input parameters and data-model discrepancy. To overcome these challenges, we, in this work, propose a new calibration framework based on a deep neural network (DNN) with long short-term memory layers that directly emulates the inverse relationship between the model output and input parameters. Adopting the “learning with noise” idea, we train our DNN model to filter out the effects from data-model discrepancy on input parameter inference. We also formulate a new way to construct interval predictions for DNN using quantile regression to quantify the uncertainty in input parameter estimates. Through a simulation study and real data application with the Weather Research and Forecasting Model Hydrological modeling system (WRF-Hydro), we show our approach can yield accurate point estimates and well-calibrated interval estimates for input parameters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Failure Analysis for Molten Salt Thermal Energy Storage Tanks for In-Service CSP Plants

Thermal Energy Storage (TES) is a fundamental component in concentrating solar power (CSP) plants to increase the plant's dispatchability, capacity factor, while reducing the levelized cost of electricity. In central receivers CSP plants, nitrate molten salts have been used for several years for operation temperatures of up to 565 degrees C. Despite many efforts to advance nitrate salt to higher operation temperatures (even considering a replacement with molten chloride salts) to achieve higher energy conversion efficiencies, the 565 degrees C temperature is currently considered the state-of-the art. Although molten salt tanks have been broadly deployed in commercial CSP plants worldwide, several failures have been reported in these tanks after a few months or years of operation, causing significant economic loss and mistrust in CSP technologies. Most of these failures are associated with the infancy of the technology and multiple issues related to tank design, fabrication, commissioning, and aggressive operation. A technical standard dedicated to the design and fabrication of molten nitrate TES tanks does not exist today. Current in-service molten salt tanks have been generally designed based on the American Petroleum Institute's (API) 650 and ASME Section II standards. The API 650 code provides guidelines for dimensions and fabrication for oil storage tanks up to 260 degrees C. The ASME standard provides allowable stress values for various materials at a range of temperatures and conditions. Both standards seem to be limited for molten salt TES tanks where high temperatures, thermal cycling, and transient conditions are expected. In 2020, NREL released the Concentrating Solar Power Best Practices Study (NREL/TP-5500-75763) that summarized multiple issues in CSP plants, along with potential alternatives and recommendations to address those issues based on information collected from participants representing about 80% of operating CSP plants in the world. One of the recommendations from this study was the development of accurate and validated models to evaluate the plant's transient operation, capable of capturing the effect of short-term clouds and operator response, while being flexible in being adapted to various spatial and temporal resource data. The "Failure Analysis for Molten Salt Thermal Energy Tanks for In-Service CSP Plants" project was inspired on this recommendation and was focused on (1) the development and validation of a physics-based model for a representative, commercial-scale molten salt tank, (2) performing simulations to evaluate the behavior of the tank as a function of typical plant operation conditions, (3) understanding tank failures mechanisms, (4) determining the residual stress and distortion in the tank floor after welding fabrication and evaluating their impact in the stresses developed in the tank during operation, (5) assessing the impact of key operation parameters on the temperature and stress distribution, (6) conduct a preliminary evaluation of design features to reduce stress and improve tank's reliability, and (7) estimate the tank's service life based on the stress developed under diverse operation scenarios. From the analysis conducted in the project and presented in this report, it was found that maximum stresses surpassing the yield strength point of the stainless steel (SS) 347H are developed on the tank floor near the perimeter. These large stresses are strongly influenced by the initial residual stresses and distortion of the tank floor after welding fabrication. During operation, large stresses are developed in the tank floor at high operation temperatures with large salt inventory levels during transient operation. High stresses are also related to elevated temperature gradients in the tank floor that could be attributed to insufficient mixing within the salt inflow and the salt inventory. Based on the analysis, creep is the predominant failure mechanism. However, the large stress levels could favor the plastic deformation into buckles, and crack formation due to stress relaxation cracking during cycle operation. A lifetime below 3 years was estimated for the typical plant operation conditions and a specific initial residual stress and deformation distribution of the tank floor. The estimated life agrees with the service time to failure reported in several commercial molten salt tanks. Desing and operation guidelines can be extracted from the analysis presented in this report, which could be adopted by tank manufacturers and CSP operators to advance toward an ultimate solution for tank failures by reducing residual and operational stresses to achieve a tank service life of more than 30 years. Addressing failures in molten salt TES tanks is fundamental for the CSP industry's survivability, but it is also important for other industrial and power generation applications using this technology, including nuclear and concentrating solar thermal.

14 SOLAR ENERGY↗
DOE OSTI2023

The Atacama Cosmology Telescope: Systematic Transient Search of 3 Day Maps

We conduct a systematic search for transients in 3 yr of data (2017–2019) from the Atacama Cosmology Telescope (ACT). ACT covers 40% of the sky at three bands spanning from 77–277 GHz. Analysis of 3 day mean-subtracted sky maps, which were match filtered for point sources, yielded 29 transient detections. Eight of these transients are due to known asteroids, and three others were previously published. Four of these events occur in areas with poor noise models and thus we cannot be confident they are real transients. We are left with 14 new transient events occurring at 11 unique locations. All of these events are associated with either rotationally variable stars or cool stars. Ten events have flat or falling spectra indicating radiation from synchrotron emission. One event has a rising spectrum indicating a different engine for the flare.

79 ASTRONOMY AND ASTROPHYSICS↗