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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Scale-adaptive tensor algebra for local many-body methods of electronic structure theory

While the formalism of multiresolution analysis (MRA), based on wavelets and adaptive integral representations of operators, is actively progressing in electronic structure theory (mostly on the independent-particle level and, recently, second-order perturbation theory), the concepts of multiresolution and adaptivity can also be utilized within the traditional formulation of correlated (many-particle) theory which is based on second quantization and the corresponding (generally nonorthogonal) tensor algebra. In this paper, we present a formalism called scale-adaptive tensor algebra (SATA) which exploits an adaptive representation of tensors of many-body operators via the local adjustment of the basis set quality. Given a series of locally supported fragment bases of a progressively lower quality, we formulate the explicit rules for tensor algebra operations dealing with adaptively resolved tensor operands. The formalism suggested is expected to enhance the applicability and reliability of local correlated many-body methods of electronic structure theory, especially those directly based on atomic orbitals (or any other localized basis functions).

Liakh, Dmitry I↗
DOE OSTI2015

3D ELECTRON DENSITY DISTRIBUTIONS IN THE SOLAR CORONA DURING SOLAR MINIMA: ASSESSMENT FOR MORE REALISTIC SOLAR WIND MODELING

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996–1997 and 2008–2010), devoid of coronal mass ejections. The goals are to derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method and to compare the results between the two solar minima and with two magnetohydrodynamic models. First, we confirm that the values of the density distribution in thermodynamic models are more realistic than in polytropic ones. The tomography provides more accurate distributions in the polar regions, and we find that the density in tomographic and thermodynamic solutions varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We deduce that tomography offers reliable density distributions in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how they are magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides

The mercury dihalides show a remarkable diversity in the structural preferences in their minimum energy structure types, spanning molecular to strongly bound ionic solids. A challenge in the development of density functional methods for extended systems is to arrive at strategies that serve equally well such a broad range of bonding modes or structural preferences. The chemical bonding and the stabilities of mercury dihalides and the general utility and reliability of the van der Waals density functional with C09 exchange (vdW-DF-C09) in predicting or describing the energetics and structural preferences in these metal dihalides is examined. Here, we show that, in contrast with the uncorrected generalized gradient approximation of the Perdew-Burke-Erzenhoff (PBE) exchange-correlation functional, qualitative and quantitative patterns in the bonding of the mercury dihalide solids are well reproduced with vdW-DF-C09 for the full series of HgX 2 systems for X = F, Cl, Br, and I. The possible existence of a low-temperature cotunnite polymorph for HgF 2 and PbF 2 is posited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Multipaper Spectral Estimation: An Alternative to the Welch Periodogram Approach

Dynamic structural systems either operational or under test require complex spectral analysis in order to characterize their modal responses. In some applications constant vigilance in terms of analysis or potential failures demand an accurate methodology to estimate both modal frequencies as well as mode shapes. Typically, classical periodogram spectra are windowed and averaged applying the well-known Welch periodogram methodology (WPM) for spectral estimation [1]. In this report we discuss an alternative technique—the Multitaper Method (MTM) that can be applied to solve this challenging problem especially in the case of noisy, uncertain accelerometer measurements [2]. This approach is based on the development of a set of orthogonal tapers or windows enabling a superior statistical performance alleviating the need to section/overlap the measured data. Therefore, the MTM is capable of producing reliable and accurate spectral estimates enabling the extraction of the structural modal vibration frequencies.

42 ENGINEERING↗
NASA NTRS1988

Object-oriented fault tree evaluation program for quantitative analyses

Object-oriented programming can be combined with fault free techniques to give a significantly improved environment for evaluating the safety and reliability of large complex systems for space missions. Deep knowledge about system components and interactions, available from reliability studies and other sources, can be described using objects that make up a knowledge base. This knowledge base can be interrogated throughout the design process, during system testing, and during operation, and can be easily modified to reflect design changes in order to maintain a consistent information source. An object-oriented environment for reliability assessment has been developed on a Texas Instrument (TI) Explorer LISP workstation. The program, which directly evaluates system fault trees, utilizes the object-oriented extension to LISP called Flavors that is available on the Explorer. The object representation of a fault tree facilitates the storage and retrieval of information associated with each event in the tree, including tree structural information and intermediate results obtained during the tree reduction process. Reliability data associated with each basic event are stored in the fault tree objects. The object-oriented environment on the Explorer also includes a graphical tree editor which was modified to display and edit the fault trees.

Patterson-Hine, F. A.↗
NASA NTRS1992

Long-term lunar stations: Some ecological considerations

A major factor for long-term success of a lunar station is the ability to keep an agroecosystem functioning at a desirable, stable steady-state with ecological stability and reliability. Design for a long-lived extraterrestrial manned station must take into account interactions among its subsystems to insure that overall functionality is enhanced (or at least not compromised). Physical isolation of feed production, human living areas, recycling, and other systems may be straightforward, however, microbiological isolation will be very difficult. While it is possible to eliminate plant-associated microbiological communities by growing the plants asepticallly, it is not practical to keep plants germ-free on a large scale if humans are working with them. Ecological theory strongly suggests that some kinds of communities or organisms effectively increase the stability of ecosystems and will protect the plants from potential pathogens. A carefully designed and maintained (lunar-derived) soil can provide a variety of habitats for effective microbial buffers while adding structure to the agroecosystem. A soil can also increase ecosystem reliability through buffering otherwise large element and compound fluctuations (of nutrients, wastes, etc.) as well as buffering temperature level and atmosphere composition. We are doing experiments in ecological dynamics and attempting to extend the relevant theories.

Maguire, Bassett, Jr.↗
DOE OSTI2017

High Performance-Multidisciplinary Simulation for Regional Scale Earthquake Hazard and Risk Assessments

Moderate-to-large magnitude earthquakes represent a significant risk around the world and a major issue across the Department of Energy (DOE) mission interests, ranging from DOE's one-of-a-kind mission critical facilities to national energy systems (nuclear power plants, electric/gas distribution systems, and renewable energy production facilities). As a result, for the DOE there is a strong motivation in promoting and developing a risk-informed and performance-based approach for both the assessment of existing facilities and the design of new structures. DOE National Labs have historically made multidisciplinary contributions to the solution of challenging seismic hazard and risk problems and have been at the forefront for the development of design standards for major facilities. The current approach for estimating the ground motion hazard for critical facilities is based upon a Probabilistic Seismic Hazard Analysis (PSHA), whereby measured ground motion data are collected and homogenized into a probabilistic framework to estimate the hazard for future events. However, recent studies have highlighted the site-specific nature of earthquakes and shown the limitations of a purely empirical approach. Moreover, the design of infrastructure systems has been moving toward a performance-based approach, in which specific performance goals are specified at different levels of excitation and for different limit states. Such an approach requires the availability of robust and reliable computational tools for the nonlinear dynamic analysis of complex structural systems. Ongoing research at Lawrence Berkeley National Laboratory (LBNL) and Lawrence Livermore National Laboratory (LLNL) aims at developing an advanced simulation environment at the exascale for a coupled assessment of earthquake hazard (ground motions) and earthquake risk (structural demands)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1987

Ceramics for engines

Structural ceramics were under nearly continuous development for various heat engine applications since the early 1970s. These efforts were sustained by the properties that ceramics offer in the areas of high-temperature strength, environmental resistance, and low density and the large benefits in system efficiency and performance that can result. The promise of ceramics was not realized because their brittle nature results in high sensitivity to microscopic flaws and catastrophic fracture behavior. This translated into low reliability for ceramic components and thus limited their application in engines. For structural ceramics to successfully make inroads into the terrestrial heat engine market requires further advances in low cost, net shape fabrication of high reliability components, and improvements in properties such as toughness, and strength. These advances will lead to very limited use of ceramics in noncritical applications in aerospace engines. For critical aerospace applications, an additional requirement is that the components display markedly improved toughness and noncatastrophic or graceful fracture. Thus the major emphasis is on fiber-reinforced ceramics.

Kiser, James D.↗
DOE OSTI2021

Cell-level reliability testing procedures for CIGS photovoltaics

The reliability of photovoltaics is commonly studied at the module level. Many reliability problems originate from module attributes, such as metal interconnections to cells, junction boxes. However, significant work in reliability can also be done prior to module design. Testing for reliability earlier in the research cycle increases the probability of avoiding common module reliability problems before cell changes are implemented on a large scale. Cell-level reliability studies can thus lower the rates of module failures in the field and provide confidence to investors that new technologies will perform as advertised. This report summarizes how we investigated three reliability concerns in Cu(In,Ga)Se 2 (CIGS) photovoltaics at the cell level: metastability, shading-induced damage, and potential-induced degradation (PID). We find that examining these concerns required developing robust measurement protocols including the fabrication of novel testing structures. This information will allow readers to incorporate sound metrics for investigating reliability phenomena and aid their studies of cell and module reliability improvements.

14 SOLAR ENERGY↗
NASA NTRS1991

Simulation of probabilistic wind loads and building analysis

Probabilistic wind loads likely to occur on a structure during its design life are predicted. Described here is a suitable multifactor interactive equation (MFIE) model and its use in the Composite Load Spectra (CLS) computer program to simulate the wind pressure cumulative distribution functions on four sides of a building. The simulated probabilistic wind pressure load was applied to a building frame, and cumulative distribution functions of sway displacements and reliability against overturning were obtained using NESSUS (Numerical Evaluation of Stochastic Structure Under Stress), a stochastic finite element computer code. The geometry of the building and the properties of building members were also considered as random in the NESSUS analysis. The uncertainties of wind pressure, building geometry, and member section property were qualified in terms of their respective sensitivities on the structural response.

Shah, Ashwin R.↗
DOE OSTI2014

TU-C-17A-04: BEST IN PHYSICS (THERAPY) - A Supervised Framework for Automatic Contour Assessment for Radiotherapy Planning of Head- Neck Cancer

Purpose: Precise contour delineation of tumor targets and critical structures from CT simulations is essential for accurate radiotherapy (RT) treatment planning. However, manual and automatic delineation processes can be error prone due to limitations in imaging techniques and individual anatomic variability. Tedious and laborious manual verification is hence needed. This study develops a general framework for automatically assessing RT contours for head-neck cancer patients using geometric attribute distribution models (GADMs). Methods: Geometric attributes (centroid and volume) were computed from physician-approved RT contours of 29 head-neck patients. Considering anatomical correlation between neighboring structures, the GADM for each attribute was trained to characterize intra- and interpatient structure variations using principal component analysis. Each trained GADM was scalable and deformable, but constrained by the principal attribute variations of the training contours. A new hierarchical model adaptation algorithm was utilized to assess the RT contour correctness for a given patient. Receiver operating characteristic (ROC) curves were employed to evaluate and tune system parameters for the training models. Results: Experiments utilizing training and non-training data sets with simulated contouring errors were conducted to validate the framework performance. Promising assessment results of contour normality/abnormality for the training contour-based data were achieved with excellent accuracy (0.99), precision (0.99), recall (0.83), and F-score (0.97), while corresponding values of 0.84, 0.96, 0.83, and 0.9 were achieved for the non-training data. Furthermore, the areas under the ROC curves were above 0.9, validating the accuracy of this test. Conclusion: The proposed framework can reliably identify contour normality/abnormality based upon intra- and inter-structure constraints derived from clinically-approved contours. It also allows physicians to analytically determine the system parameters to fit various clinic requirements (e.g. as-low-as-possible false positives). It has great potential for improving RT work flow. More geometric attributes and training sets will be investigated to improve framework performance in the future.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Signal Processsing for Sounding Rocket Flights: Campaign No. 2 Results

Sounding rockets provide both a viable and convenient alternative to more costly missile flights with one of the major objectives being to test various types of sensors for monitoring components of high interest as well as developing real-time signal processing techniques. Signal processing, especially in real-time, presents an extreme challenge in this noisy flight environment. The estimation and tracking of modal frequencies from vibrating structures is the an important set of features that can provide information about the components under test; therefore, high resolution multichannel spectral processing is required. In this report we discuss the application of both single/multichannel techniques that can be applied to solve this challenging problem in the case of noisy, uncertain accelerometer measurements. The approach involves the selection of methods capable of producing reliable spectral estimates corresponding to the modal frequencies of a vibrating structure.

42 ENGINEERING↗
DOE OSTI2019

Electrical Transition in Isostructural VO2 Thin-Film Heterostructures

Abstract Control over the concurrent occurrence of structural (monoclinic to tetragonal) and electrical (insulator to the conductor) transitions presents a formidable challenge for VO 2 -based thin film devices. Speed, lifetime, and reliability of these devices can be significantly improved by utilizing solely electrical transition while eliminating structural transition. We design a novel strain-stabilized isostructural VO 2 epitaxial thin-film system where the electrical transition occurs without any observable structural transition. The thin-film heterostructures with a completely relaxed NiO buffer layer have been synthesized allowing complete control over strains in VO 2 films. The strain trapping in VO 2 thin films occurs below a critical thickness by arresting the formation of misfit dislocations. We discover the structural pinning of the monoclinic phase in (10 ± 1 nm) epitaxial VO 2 films due to bandgap changes throughout the whole temperature regime as the insulator-to-metal transition occurs. Using density functional theory, we calculate that the strain in monoclinic structure reduces the difference between long and short V-V bond-lengths (Δ V − V ) in monoclinic structures which leads to a systematic decrease in the electronic bandgap of VO 2 . This decrease in bandgap is additionally attributed to ferromagnetic ordering in the monoclinic phase to facilitate a Mott insulator without going through the structural transition.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Abstract for CRADA between NETL and Louisiana State University

The National Energy Technology Laboratory (NETL) and Louisiana State University (PARTICIPANT) will collaborate in developing and testing distributed optical fiber CO 2 sensors for CO 2 storage site monitoring. Safe and reliable monitoring of CO 2 storage sites and transport infrastructure is critical for ensuring the long-term effectiveness and integrity of carbon capture and storage (CCS). In this project, the objective is to develop a novel optical fiber-based distributed CO 2 sensor for long-term monitoring of CCS sites and CO 2 pipelines and also implement machine learning to automate leak and structural anomaly detection. This effort aligns with NETL’s mission in reliable and sustainable energy and decarbonization.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Fracture toughness evaluations for spent nuclear fuel dry storage canister welds and spent nuclear fuel clad-pellet structures

Integrity of spent nuclear fuel (SNF) interim storage canisters is very important to the safety of the back-end nuclear fuel cycle. Stress corrosion cracking (SCC) potential of interim storage canister has been considered as a high priority. Because no post-weld heat treatment was required for forming these canisters, the high tensile residual stress existed within these canister welds. This can change the fracture resistance capacity significantly as well as increase SCC potential. Due to relative thin shell thickness of a canister weldment, the spiral notch torsion test (SNTT) method was used to estimate the canister weldment fracture toughness. SNTT was developed to measure the intrinsic fracture toughness of structural materials using small specimens. The SNTT method has been applied to a wide variety of structural materials, such as low-alloy steels, stainless steel, aluminum alloy, ceramics, concrete, and composites. The SNTT system operates by applying pure torsion to cylindrical specimens with a notch line that spirals around the specimen at a 45° pitch. In order to carry out pure torsion load mode, biaxial tension/torsion tester was developed accordingly to perform SNTT protocol. Moreover, applying fracture mechanics approach to SNF system reliability investigation is warranted due to the inherent flaws and hydride structures existed in a SNF system after nuclear reactor operation. However, none of the existing fracture toughness data deal with fuel cladding specific geometry or spent fuel material conditions, such as cladding structure with the pellet-inserts and the associated pellet clad mechanical interactions induced mixed-mode damage mechanisms. Thus, the development of an intrinsic fracture mechanics approach that is suitable for SNF materials is needed. Furthermore, due to thin wall and small dimension of clad tubing structure, the SNTT method was used to estimate the clad tubing structure fracture toughness. Fracture testing were performed on the received stainless steel canister weldment, most SNTT weld samples fracture initiation sites are at heat-affected zone (HAZ) regions. The estimated fracture toughness J Q ’ for the baseline SS304 steel is at 283 kJ/m². The estimated JQ’ for the SS304/308 weld and baseline metals are 148 kJ/m 2 and 459 kJ/m 2 , respectively. Out of cell fracture testing for spent fuel structure were carried out on the surrogate rods made of Zr-4 clad and alumina inserts, the estimated fracture toughness values for baseline Zr-4 cladding with alumina-pellet inserts are: (1) For SNTT samples with a short or medium crack length, between 5.4-mm and 8-mm, the estimate J IQ upon fracture initiation for the baseline Zr-4 cladding is at 50 kJ/m 2 with 2-sigma uncertainty of 3.26 kJ/m 2 , and the associated K IQ is at 67.46 MPa$\sqrt{m}$; and (2) For SNTT samples with a long crack length, around 13-mm, the crack initialization is deviated from that of the Mode-I tensile fracture and appears to be a mixed-mode fracture of Mode I - tensile stress and Mode III - out of plane shear stress; the estimated J MQ is at 18.9 kJ/m 2 , the associated K MQ is at 41.4 MPa$\sqrt{m}$.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2008

Structural Benchmark Creep Testing for the Advanced Stirling Convertor Heater Head

The National Aeronautics and Space Administration (NASA) has identified the high efficiency Advanced Stirling Radioisotope Generator (ASRG) as a candidate power source for use on long duration Science missions such as lunar applications, Mars rovers, and deep space missions. For the inherent long life times required, a structurally significant design limit for the heater head component of the ASRG Advanced Stirling Convertor (ASC) is creep deformation induced at low stress levels and high temperatures. Demonstrating proof of adequate margins on creep deformation and rupture for the operating conditions and the MarM-247 material of construction is a challenge that the NASA Glenn Research Center is addressing. The combined analytical and experimental program ensures integrity and high reliability of the heater head for its 17-year design life. The life assessment approach starts with an extensive series of uniaxial creep tests on thin MarM-247 specimens that comprise the same chemistry, microstructure, and heat treatment processing as the heater head itself. This effort addresses a scarcity of openly available creep properties for the material as well as for the virtual absence of understanding of the effect on creep properties due to very thin walls, fine grains, low stress levels, and high-temperature fabrication steps. The approach continues with a considerable analytical effort, both deterministically to evaluate the median creep life using nonlinear finite element analysis, and probabilistically to calculate the heater head s reliability to a higher degree. Finally, the approach includes a substantial structural benchmark creep testing activity to calibrate and validate the analytical work. This last element provides high fidelity testing of prototypical heater head test articles; the testing includes the relevant material issues and the essential multiaxial stress state, and applies prototypical and accelerated temperature profiles for timely results in a highly controlled laboratory environment. This paper focuses on the last element and presents a preliminary methodology for creep rate prediction, the experimental methods, test challenges, and results from benchmark testing of a trial MarM-247 heater head test article. The results compare favorably with the analytical strain predictions. A description of other test findings is provided, and recommendations for future test procedures are suggested. The manuscript concludes with describing the potential impact of the heater head creep life assessment and benchmark testing effort on the ASC program.

Krause, David L.↗
DOE OSTI2019

Near-Surface [Ga]/([In]+[Ga]) Composition in Cu(In,Ga)Se 2 Thin-Film Solar Cell Absorbers: An Overlooked Material Feature

The chemical and electronic structures in the near-surface region of Cu(In,Ga)Se 2 thin-film solar cell absorbers are investigated using nondestructive soft and hard X-ray photoelectron spectroscopy. In addition to a pronounced surface Cu-depletion, the [Ga]/([In]+[Ga]) composition indicates that the topmost surface is Ga-poor (or In-rich). For the studied depth region, common depth profiling techniques generally fail to provide reliable information and, thus, the near-surface chemical and electronic structure profiles are often overlooked. The relation between the observed near-surface elemental compositions and the derived electronic properties of the absorber material is discussed. It is found that the surface band gap energy crucially depends on the Cu-deficiency of the absorber surface and suggests that it is, in this region, only secondarily determined by the [Ga]/([In]+[Ga]) ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Structural Design Approach Tailored for the Rapid Preliminary Design of Microreactor Components

High-temperature microreactors can play a role in developing reliable, portable energy sources for off-grid remote locations, microgrid concepts, and industrial process heat. Portability and passive safety criteria tend to skew microreactor structural component designs toward complex geometries, high thermal stresses, and design bases with large numbers of startup/shutdown cycles. Current design rules, as typified by Section III of the American Society of Mechanical Engineers (ASME) Boiler & Pressure Vessel Code, are less than optimal for these conditions, particularly for preliminary component designs where developers need to rapidly consider a large number of potential component configurations. This paper presents a design method targeted toward rapid, efficient evaluation of preliminary component designs using modern finite element analysis. The new method retains key connections with the ASME Code rules and design data while streamlining the design approach. This paper presents the design method, several verification examples illustrating the similarities and differences between the new method and the current ASME rules, and the application of the new approach to the evaluation of a test article mimicking key features of a heat pipe–cooled microreactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗