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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Assessment of Acoustic Sensor Application to Structural Health Monitoring of Reactor Components

The objectives of SHM of advanced fission reactors include the following: (1) Maintain safe, reliable, and efficient operation of structures, systems, and components in accordance with design intent; (3) Reduce cost; (4) Improve the comprehensive life management of structures, systems, and components; and (5) Extend the operational life of a power system through retirement for cause. Advanced reactor designs currently being considered are expected to operate at higher temperatures than light water-cooled reactors and to support missions beyond baseload electricity generation. Methods to monitor and detect for these mechanisms will require structural health monitoring (SHM) techniques, with ultrasonic methods an ideal candidate given their widespread use for NDE. This document summarized the state of technology for ultrasonic technologies, as part of an assessment of technology gaps and needed research. The great majority of sensor development to date addresses elevated temperatures and radiation tolerance, and more work is needed in both areas. Little data exists regarding corrosion effects of advanced coolants on sensor materials and couplants. Of high importance is the need for ARDs and regulatory bodies to engage and define what level of SHM is needed for autonomous or semi-autonomous control of reactors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

A passivation layer called the solid electrolyte interphase (SEI) is formed on electrode surfaces from decomposition products of electrolytes. The SEI allows Li + transport and blocks electrons in order to prevent further electrolyte decomposition and ensure continued electrochemical reactions. The formation and growth mechanism of the nanometer thick SEI films are yet to be completely understood owing to their complex structure and lack of reliable in situ experimental techniques. Significant advances in computational methods have made it possible to predictively model the fundamentals of SEI. This review aims to give an overview of state-of-the-art modeling progress in the investigation of SEI films on the anodes, ranging from electronic structure calculations to mesoscale modeling, covering the thermodynamics and kinetics of electrolyte reduction reactions, SEI formation, modification through electrolyte design, correlation of SEI properties with battery performance, and the artificial SEI design. Multi-scale simulations have been summarized and compared with each other as well as with experiments. Computational details of the fundamental properties of SEI, such as electron tunneling, Li-ion transport, chemical/mechanical stability of the bulk SEI and electrode/(SEI/) electrolyte interfaces have been discussed. This review shows the potential of computational approaches in the deconvolution of SEI properties and design of artificial SEI. We believe that computational modeling can be integrated with experiments to complement each other and lead to a better understanding of the complex SEI for the development of a highly efficient battery in the future.

25 ENERGY STORAGE↗
DOE OSTI2018

Diversity of Properties of Device Structures Based on Group-III Nitrides, Related to Modification of the Fractal-Percolation System

A fractal-percolation system that includes extended defects and random fluctuations in the alloy composition is formed during the growth of device structures based on Group-III nitrides. It is established that the specific features of this system are determined not only by the growth conditions. It is shown that the diversity of the electrical and optical properties of InGaN/GaN LEDs (light-emitting diodes) emitting at wavelengths of 450–460 and 519–530 nm, as well as that of the electrical properties of AlGaN/GaN HEMT (high-electron-mobility transistor) structures, is due to modification of the properties of the fractal-percolation system both during the growth process and under the action of the injection current and irradiation. The influence exerted by these specific features on the service life of light-emitting devices and on the reliability of AlGaN/GaN HEMT structures is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Low-resolution refinement tools in REFMAC5

Low-resolution refinement tools implemented in REFMAC5 are described, including the use of external structural restraints, helical restraints and regularized anisotropic map sharpening. Two aspects of low-resolution macromolecular crystal structure analysis are considered: (i) the use of reference structures and structural units for provision of structural prior information and (ii) map sharpening in the presence of noise and the effects of Fourier series termination. The generation of interatomic distance restraints by ProSMART and their subsequent application in REFMAC5 is described. It is shown that the use of such external structural information can enhance the reliability of derived atomic models and stabilize refinement. The problem of map sharpening is considered as an inverse deblurring problem and is solved using Tikhonov regularizers. It is demonstrated that this type of map sharpening can automatically produce a map with more structural features whilst maintaining connectivity. Tests show that both of these directions are promising, although more work needs to be performed in order to further exploit structural information and to address the problem of reliable electron-density calculation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Thermo-mechanical assessment of full SiC/SiC composite cladding for LWR applications with sensitivity analysis

SiC/SiC composites are considered among leading candidates for accident tolerant fuel cladding in light water reactors. However, when SiC-based materials are exposed to neutron irradiation, they experience significant changes in dimensions and physical properties. Under a large heat flux application (i.e. fuel cladding), the non-uniform changes in the dimensions and physical properties will lead to build-up of stresses in the structure over the course of time. To ensure reliable and safe operation of such a structure it is important to assess its thermo-mechanical performance under in-reactor conditions of irradiation and elevated temperature. In this work, the foundation for 3D thermo-mechanical analysis of SiC/SiC cladding is put in place and a set of analyses with simplified boundary conditions has been performed. The analyses were carried out with two different codes that were benchmarked against one another and prior results in the literature. A constitutive model is constructed and solved numerically to predict the stress distribution and variation in the cladding under normal operating conditions. The dependence of dimensions and physical properties variation with irradiation and temperature has been incorporated. These robust models may now be modified to take into account the axial and circumferential variation in neutron and heat flux to fully account for 3D effects. Here, the results from the simple analyses show the development of high tensile stresses especially in the circumferential and axial directions at the inner region of the cladding. Based on the results obtained, design guidelines are recommended. For lack of certainty in or tailor-ability for the physical and mechanical properties of SiC/SiC composite material a sensitivity analysis is conducted. The analysis results establish a precedence order of the properties based on the extent to which these properties influence the temperature and the stresses.

Accident tolerant fuel↗
DOE OSTI2013

Role of contamination on the bondline integrity of composite structures

Adhesively bonding composite structures have many applications in aerospace, automotive and submarine industries. The adhesive bonding joints have substantial advantage over the traditional metallic mechanical bonding joints, such as rivet and welding. However, the adhesive bonding joints require additional steps of surface preparation and cleaning to ensure consistent bond strength. In application, the adhesively bonded joints are exposed to environmental degradation and industrial solvent contaminates. Accordingly, the assurance of reliability of bonded composite structures requires detailed investigation of the role of contaminates on bondline integrity. This dissertation focuses on assessing the contaminates effect on the adhesive bondline integrity. A combined experimental and numerical framework is developed to study the contamination effect on the adhesive mechanical properties and adhesive joint strength. The bondline integrity were examined for a system of adhesive (EA9394) and the carbonfiber system (Hexply IM7/8552), after being subjected to different level of exposures to aviation hydraulic fluids and mold cleaning agents. A testing protocol based on nanoindentation for initial screening is used to predict the interfacial fracture characteristics after exposure to contamination. It is found the adhesive modulus and stiffness dropped by up to 10% for the hydraulic fluid contaminates, suggesting increase of the plastic dissipation within the bondline. However, the trend for the cleaning agent was not clear since the modulus drop while its hardness increased.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Radiation damage free ghost diffraction with atomic resolution

The x-ray free electron lasers can enable diffractive structural determination of protein nanocrystals and single molecules that are too small and radiation-sensitive for conventional x-ray diffraction. However the electronic form factor may be modified during the ultrashort x-ray pulse due to photoionization and electron cascade caused by the intense x-ray pulse. For general x-ray imaging techniques, the minimization of the effects of radiation damage is of major concern to ensure reliable reconstruction of molecular structure. Here in this paper, we show that radiation damage free diffraction can be achieved with atomic spatial resolution by using x-ray parametric down-conversion and ghost diffraction with entangled photons of x-ray and optical frequencies. We show that the formation of the diffraction patterns satisfies a condition analogous to the Bragg equation, with a resolution that can be as fine as the crystal lattice length scale of several Ångstrom. Since the samples are illuminated by low energy optical photons, they can be free of radiation damage.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Pressure-Driven Fiber-Optic Sensor for Online Corrosion Monitoring

For many industrial applications, corrosion is a life-limiting phenomenon and therefore requires careful consideration and rigorous experimental testing before structural materials can be reliably deployed, particularly in harsh chemical environments. The traditional approach to measuring corrosion requires exposing many samples to the intended environment and then extracting them individually at discrete intervals for postexposure characterization. This approach does not provide a high degree of temporal resolution, nor does it provide any real-time information regarding dynamic changes in corrosion rates. Additionally, developing an online corrosion monitor capable of surviving harsh chemical environments could provide valuable information regarding the structural health of components and changing process conditions that could accelerate corrosion. To this end, a corrosion sensor was developed based on a pressure-driven Fabry-Pérot cavity (FPC). This sensor uses a pressure control system to internally pressurize the FPC formed between the sensor’s housing and a metal-embedded singlemode optical fiber. Simultaneous measurement of the change in FPC length using low-coherence interferometry and the applied pressure enables the calculation of the relative changes in the sensor’s diaphragm thickness due to corrosion on its outer surface. Measurements were made in situ while actively corroding the sensor and were validated against surveillance specimens that were corroded simultaneously. The uncertainties in the measured corrosion were analyzed using error propagation of the uncertainties in the measured pressures and displacements and were found to be <1% of the initial diaphragm thickness.

42 ENGINEERING↗
DOE OSTI2015

Structural Testing at the NWTC Helps Improve Blade Design and Increase System Reliability

Since 1990, the National Renewable Energy Laboratory's (NREL's) National Wind Technology Center (NWTC) has tested more than 150 wind turbine blades. NWTC researchers can test full-scale and subcomponent articles, conduct data analyses, and provide engineering expertise on best design practices. Structural testing of wind turbine blades enables designers, manufacturers, and owners to validate designs and assess structural performance to specific load conditions. Rigorous structural testing can reveal design and manufacturing problems at an early stage of development that can lead to overall improvements in design and increase system reliability.

17 WIND ENERGY↗
DOE OSTI2016

Safety envelope for load tolerance of structural element design based on multi-stage testing

Structural elements, such as stiffened panels and lap joints, are basic components of aircraft structures. For aircraft structural design, designers select predesigned elements satisfying the design load requirement based on their load-carrying capabilities. Therefore, estimation of safety envelope of structural elements for load tolerances would be a good investment for design purpose. In this article, a method of estimating safety envelope is presented using probabilistic classification, which can estimate a specific level of failure probability under both aleatory and epistemic uncertainties. An important contribution of this article is that the calculation uncertainty is reflected in building a safety envelope using Gaussian process, and the effect of element test data on reducing the calculation uncertainty is incorporated by updating the Gaussian process model with the element test data. It is shown that even one element test can significantly reduce the calculation uncertainty due to lacking knowledge of actual physics, so that conservativeness in a safety envelope is significantly reduced. The proposed approach was demonstrated with a cantilever beam example, which represents a structural element. The example shows that calculation uncertainty provides about 93% conservativeness against the uncertainty due to a few element tests. As a result, it is shown that even a single element test can increase the load tolerance modeled with the safety envelope by 20%.

42 ENGINEERING↗
DOE OSTI2015

Structural Testing at the NWTC Helps Improve Blade Design and Increase System Reliability; NREL (National Renewable Energy Laboratory)

Since 1990, the National Renewable Energy Laboratory’s (NREL's) National Wind Technology Center (NWTC) has tested more than 150 wind turbine blades. NWTC researchers can test full-scale and subcomponent articles, conduct data analyses, and provide engineering expertise on best design practices. Structural testing of wind turbine blades enables designers, manufacturers, and owners to validate designs and assess structural performance to specific load conditions. Rigorous structural testing can reveal design and manufacturing problems at an early stage of development that can lead to overall improvements in design and increase system reliability.

17 WIND ENERGY↗
DOE OSTI2023

Design and requirements of a hydrogen component reliability database (HyCReD)

Hydrogen technologies are expected to play a key role in the decarbonization of several sectors including energy storage and transportation. Rigorous investigation and quantification of the risk and reliability issues associated with hydrogen technologies will be critical to ensuring both their wider adoption and safe, economical operations. Quantitative risk assessment (QRA) is an important tool that has been used to enable the safe deployment of many engineering systems, including hydrogen fueling stations and hydrogen storage systems. However, QRA studies require reliability data which is currently lacking for expanding applications of hydrogen systems. Here, to address this gap, we present a new structure for a hydrogen component reliability database (HyCReD) that can be used to generate reliability data to be used in QRA, reliability, safety studies, maintenance planning, and more. Building on our previous work examining four major hydrogen safety data collection tools (West et al., 2022) [1], our approach in this work was to consult scientific literature on reliability data collection as well as a number of existing reliability engineering databases in the oil & gas, chemical processing, and nuclear power plant sectors. The evaluation of these databases led to identifying best practices to be implemented in a data collection framework for a hydrogen component reliability database. Based on these best practices, a set of 24 requirements for the proposed database are presented, covering its characteristics and the types of data to be collected. We define the structure of the HyCReD database and 25 data elements to be collected, spanning system description, failure, shutdown, or near-miss events, and maintenance events. The data elements are then defined according to international standards used in the safety and reliability practice and potential choice lists are provided for each field. Since this database is being piloted for hydrogen fueling stations, a generic station component hierarchy developed by West (2021) [2] is used to standardize system data. Finally, we demonstrate populating the database with information extracted from five narrative reports on hydrogen fueling station incidents.

08 HYDROGEN↗
DOE OSTI2013

Geostatistical mapping of Cs-137 contamination depth in building structures by integrating ISOCS measurements of different spatial supports

Reliable methods to determine the contamination depth in nuclear building structures are very much needed for minimizing the radioactive waste volume and the decontamination workload. This paper investigates the geostatistical integration of in situ gamma-ray spectroscopy measurements of different spatial supports. A case study is presented from the BR3 decommissioning project, yielding an estimated reduction of waste volume of ∼35%, and recommendations are made for future application of the proposed methodology. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble

We perform ab initio molecular dynamics (AIMD) simulation of liquid water in the canonical ensemble at ambient conditions using the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient approximation (GGA) functional approximation and carry out systematic comparisons with the results obtained from the GGA-level Perdew-Burke-Ernzerhof (PBE) functional and Tkatchenko-Scheffler van der Waals (vdW) dispersion correction inclusive PBE functional. We analyze various properties of liquid water including radial distribution functions, oxygen-oxygen-oxygen triplet angular distribution, tetrahedrality, hydrogen bonds, diffusion coefficients, ring statistics, density of states, band gaps, and dipole moments. We find that the SCAN functional is generally more accurate than the other two functionals for liquid water by not only capturing the intermediate-range vdW interactions but also mitigating the overly strong hydrogen bonds prescribed in PBE simulations. We also compare the results of SCAN-based AIMD simulations in the canonical and isothermal-isobaric ensembles. Our results suggest that SCAN provides a reliable description for most structural, electronic, and dynamical properties in liquid water.

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

Digital Maskless Photolithographic Patterning of DNA-Functionalized Poly(ethylene glycol) Diacrylate Hydrogels with Visible Light Enabling Photodirected Release of Oligonucleotides

Soft biomaterials possessing structural hierarchy have growing applications in lab-on-chip devices, artificial tissues, and micromechanical and chemomechanical systems. The ability to integrate sets of biomolecules, specifically DNA, within hydrogel substrates at precise locations could offer the potential to form and modulate complex biochemical processes with DNA-based molecular switches in such materials and provide a means of creating dynamic spatial patterns, thus enabling spatiotemporal control of a wide array of reaction-diffusion phenomena prevalent in biological systems. In this paper, we develop a means of photopatterning two-dimensional DNA-functionalized poly(ethylene glycol) diacrylate (PEGDA) hydrogel architectures with an aim toward these applications. While PEGDA photopatterning methods are well-established for the fabrication of hydrogels, including those containing oligonucleotides, the photoinitiators typically used have significant crosstalk with many UV-photoswitchable chemistries including nitrobenzyl derivatives. We demonstrate the digital photopatterning of PEGDA-co-DNA hydrogels using a blue light-absorbing (470 nm peak) photoinitiator system and macromer comprised of camphorquinone, triethanolamine, and poly(ethylene glycol) diacrylate ($M$ n = 575) that minimizes absorption in the UV-A wavelength range commonly used to trigger photoswitchable chemistries. We demonstrate this method using digital maskless photolithography within microfluidic devices that allows for the reliable construction of multidomain structures. The method achieves feature resolutions as small as 25 μm, and the resulting materials allow for lateral isotropic bulk diffusion of short single-stranded (ss) DNA oligonucleotides. Finally, we show how the use of these photoinitiators allows for orthogonal control of photopolymerization and UV-photoscission of acrylate-modified DNA containing a 1-(2-nitrophenyl) ethyl spacer to selectively cleave DNA from regions of a PEGDA substrate.

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

Hierarchical Assembly of Plasmonic Nanoparticle Heterodimer Arrays with Tunable Sub-5 nm Nanogaps

Nanoparticle assemblies have generated intense interest because of their novel optical, electronic, and magnetic properties that open up numerous opportunities in fundamental and applied nanophotonics, -electronics, and -magnetics. However, despite the great scientific and technological potential of these structures, it remains an outstanding challenge to reliably fabricate such assemblies with both nanometer-level structural control and precise spatial arrangements on a macroscopic scale. It is the combination of these two features that is key to realizing nanoparticle assemblies potential, particular for device applications. To address this challenge, we propose a hierarchical assembly approach consisting of both template-particle and particle-particle interactions, whereby the former ensures precise addressability of assemblies on a surface and the latter provides nanometer-level structural control. Template-particle interactions are harnessed via chemical-pattern-directed assembly, and the particle-particle interactions are controlled using DNA-directed self-assembly. To demonstrate the potential of this hierarchical assembly approach, we demonstrate the fabrication of a particularly fascinating assembly: the nanoparticle heterodimer, which possesses a surprisingly rich set of plasmonic properties and is a promising candidate to enable a variety of imaging and sensing applications. Each heterodimer is placed on the surface at predetermined locations, and the precise control of the nanogaps is confirmed by far-field scattering measurements of individual dimers. We further demonstrate that the gap size can be effectively tuned by varying the DNA length. By correlating measured spectra with finite-difference time-domain (FDTD) simulations, we determine the gap sizes to be 4.2 and 5.0 nm-with subnm deviation-for the two DNA lengths investigated. This is one of the best gap uniformities ever demonstrated for surface-bound nanoparticle assemblies. The estimated surface-enhanced Raman scattering (SERS) enhancement factor of these heterodimers is on the order of 10 5 -10 6 with high reproducibility and predictable polarization-dependence. This hierarchical fabrication technique-employing both template-particle and particle-particle interactions-constitutes a novel platform for the realization of functional nanoparticle assemblies on surfaces and thereby creates new opportunities to implement these structures in a variety of applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Comparison of algorithms for determination of rotation measure and Faraday structure. I. 1100–1400 MHz

Faraday rotation measures (RMs) and more general Faraday structures are key parameters for studying cosmic magnetism and are also sensitive probes of faint ionized thermal gas. A definition of which derived quantities are required for various scientific studies is needed, as well as addressing the challenges in determining Faraday structures. A wide variety of algorithms has been proposed to reconstruct these structures. In preparation for the Polarization Sky Survey of the Universe's Magnetism (POSSUM) to be conducted with the Australian Square Kilometre Array Pathfinder and the ongoing Galactic Arecibo L-band Feeds Array Continuum Transit Survey (GALFACTS), we run a Faraday structure determination data challenge to benchmark the currently available algorithms, including Faraday synthesis (previously called RM synthesis in the literature), wavelet, compressive sampling, and QU-fitting. The input models include sources with one Faraday thin component, two Faraday thin components, and one Faraday thick component. The frequency set is similar to POSSUM/GALFACTS with a 300 MHz bandwidth from 1.1 to 1.4 GHz. We define three figures of merit motivated by the underlying science: (1) an average RM weighted by polarized intensity, RM{sub wtd}, (2) the separation Δϕ of two Faraday components, and (3) the reduced chi-squared χ{sub r}{sup 2}. Based on the current test data with a signal-to-noise ratio of about 32, we find the following. (1) When only one Faraday thin component is present, most methods perform as expected, with occasional failures where two components are incorrectly found. (2) For two Faraday thin components, QU-fitting routines perform the best, with errors close to the theoretical ones for RM{sub wtd} but with significantly higher errors for Δϕ. All other methods, including standard Faraday synthesis, frequently identify only one component when Δϕ is below or near the width of the Faraday point-spread function. (3) No methods as currently implemented work well for Faraday thick components due to the narrow bandwidth. (4) There exist combinations of two Faraday components that produce a large range of acceptable fits and hence large uncertainties in the derived single RMs; in these cases, different RMs lead to the same Q, U behavior, so no method can recover a unique input model. Further exploration of all these issues is required before upcoming surveys will be able to provide reliable results on Faraday structures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Structural Validation at the NWTC Helps Improve Component Design and Increase System Reliability

Since 1990, the National Wind Technology Center (NWTC) at the National Renewable Energy Laboratory (NREL) has validated more than 150 wind turbine blades, as well as blades and components for marine energy devices. Researchers at the NWTC can experimentally validate full-scale and subcomponent articles, conduct data analyses, and provide engineering expertise to optimize design practices. Structural evaluation of turbine blades enables designers, manufacturers, and owner operators t o assess designs and structural performance under specific extreme loading and dynamic conditions. Rigorous structural validation can reveal design and manufacturing problems at an early state of development that lead to improvements in component design and increase system reliability.

17 WIND ENERGY↗