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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

DE-NE0000724 - Research Performance Final Report - Investigation of Thermal Aging Effects on the Evolution of Microstructure and Mechanical Properties of Cast Duplex Stainless Steels

This report details the research activities carried out under DOE-NEUP award number DE-NE0000724 concerning the evolution of structural and mechanical properties during thermal aging of CF–3 and CF–8 cast duplex stainless steels (CDSS). The overall objective of this project was to use state-of-the-art characterization techniques to elucidate trends and phenomena in the mechanical and structural evolution of cast duplex stainless steels (CDSS) during thermal aging. These steels are commonly used as structural materials in commercial light water nuclear power plants, undergoing aging for decades in operation as cooling water pipes, pump casings, valve bodies, etc. During extended exposure to these conditions, CDSS are known to undergo a change in mechanical properties resulting in a loss of ductility, i.e. embrittlement. While it is generally accepted that structural changes within the ferrite phase, such as decomposition into iron (Fe)-rich and chromium (Cr)-rich domains, lead to the bulk embrittlement of the steels, many questions remain as to the mechanisms of embrittlement at multiple length scales. This work is intended to shed insight into the atomic level composition changes, associated kinetic mechanisms, and effects of changing phase structure on micro- and nano-scale deformation that lead to loss of impact toughness and tensile ductility in these steels. In general, this project provides a route to answer some of these major questions using techniques such as 3-dimensional (3-D) atom probe tomography (APT) and real-microstructure finite element method (FEM) modeling, which were not readily available when these steels were originally selected for service in light water reactors. Mechanical properties evaluated by Charpy V-notch impact testing (CVN), tensile testing, and microhardness and nanohardness measurements were obtained for each condition and compared with the initial baseline properties to view trends in deformation behavior during aging. Concurrent analysis of the microstructure and nanostructure by atom probe tomography (APT) and transmission electron microscopy (TEM) provide mechanistic insight into the kinetic and mechanical behavior occurring on the nano-scale. The presence and morphology of the ferrite, austenite, and carbide phases have been characterized, and formation of new phases during aging, including spinodal decomposition products (α- and α'-ferrite) and G-phase, have been observed. The mechanical and structural characterization have been used to create accurate FEM models based on the real micro- and nano-structures of the systems. These models provide new insight into the local deformation behavior of these steels and the effects of each individual phase (including ferrite, austenite, carbides, and spinodal decomposition products) on the evolving bulk mechanical behavior of the system. The project was divided into three major tasks: 1. Initial Microstructure and Mechanical Property Survey and Initiate Heat Treatment; 2. Microstructural Characterization and Mechanical Property Testing During Aging; and 3. Microstructure-based Finite Element Modeling. Each of these tasks was successfully executed, resulting in reliable data and analysis that add to the overall body of work on the CDSS materials. Baseline properties and aging trends in mechanical data confirm prior observations and add new insights into the mechanical behavior of the steels. Structural characterization on multiple length scales provides new information on phase changes occurring during aging and sheds light on the kinetic processes occurring at the atomic scale. Furthermore, a combination of mechanical testing and microstructural characterization techniques was utilized to design FEM models of local deformation behavior of the ferrite and austenite phases, providing valuable new information regarding the effects of each of the microstructural components on the hardening and embrittlement processes. The data and analysis presented in this report and the publication associated with this project (§V) increase the understanding of aging and deformation in CF–3 and CF–8 steels. These results provide valuable information that can be utilized to aid in making informed decisions regarding the ongoing use of these steels in commercial nuclear infrastructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

The Sloan Digital Sky Survey Reverberation Mapping project: Post-starburst signatures in quasar host galaxies at z < 1

Quasar host galaxies are key for understanding the relation between galaxies and the supermassive black holes (SMBHs) at their centers. We present a study of 191 broad-line quasars and their host galaxies at z<1, using high signal-to-noise ratio (S/N) spectra produced by the Sloan Digital Sky Survey Reverberation Mapping project. Clear detection of stellar absorption lines allows a reliable decomposition of the observed spectra into nuclear and host components, using spectral models of quasar and stellar radiations as well as emission lines from the interstellar medium. We estimate age, mass M{sub ∗}, and velocity dispersion σ{sub ∗} of the host stars, the star formation rate (SFR), quasar luminosity, and SMBH mass M{sub ∙}, for each object. The quasars are preferentially hosted by massive galaxies with M{sub ∗}∼10{sup 11} M{sub ⊙} characterized by stellar ages around 1 billion yr, which coincides with the transition phase of normal galaxies from the blue cloud to the red sequence. The host galaxies have relatively low SFRs and fall below the main sequence of star-forming galaxies at similar redshifts. These facts suggest that the hosts have experienced an episode of major star formation sometime in the past 1 billion yr, which was subsequently quenched or suppressed. The derived M{sub ∙}−σ{sub ∗} and M{sub ∙}−M{sub ∗} relations agree with our past measurements and are consistent with no evolution from the local universe. The present analysis demonstrates that reliable measurements of stellar properties of quasar host galaxies are possible with high-S/N fiber spectra, which will be acquired in large numbers with future powerful instruments such as the Subaru Prime Focus Spectrograph.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Microgrid Design Analysis Using Technology Management Optimization and the Performance Reliability Model

Microgrids are a focus of localized energy production that support resiliency, security, local con- trol, and increased access to renewable resources (among other potential benefits). The Smart Power Infrastructure Demonstration for Energy Reliability and Security (SPIDERS) Joint Capa- bility Technology Demonstration (JCTD) program between the Department of Defense (DOD), Department of Energy (DOE), and Department of Homeland Security (DHS) resulted in the pre- liminary design and deployment of three microgrids at military installations. This paper is focused on the analysis process and supporting software used to determine optimal designs for energy surety microgrids (ESMs) in the SPIDERS project. There are two key pieces of software, an ex- isting software application developed by Sandia National Laboratories (SNL) called Technology Management Optimization (TMO) and a new simulation developed for SPIDERS called the per- formance reliability model (PRM). TMO is a decision support tool that performs multi-objective optimization over a mixed discrete/continuous search space for which the performance measures are unrestricted in form. The PRM is able to statistically quantify the performance and reliability of a microgrid operating in islanded mode (disconnected from any utility power source). Together, these two software applications were used as part of the ESM process to generate the preliminary designs presented by SNL-led DOE team to the DOD. Acknowledgements Sandia National Laboratories and the SPIDERS technical team would like to acknowledge the following for help in the project: * Mike Hightower, who has been the key driving force for Energy Surety Microgrids * Juan Torres and Abbas Akhil, who developed the concept of microgrids for military instal- lations * Merrill Smith, U.S. Department of Energy SPIDERS Program Manager * Ross Roley and Rich Trundy from U.S. Pacific Command * Bill Waugaman and Bill Beary from U.S. Northern Command * Tarek Abdallah, Melanie Johnson, and Harold Sanborn of the U.S. Army Corps of Engineers Construction Engineering Research Laboratory * Colleagues from Sandia National Laboratories (SNL) for their reviews, suggestions, and participation in the work.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1996

Reliability and Maintainability Model (RAM): User and Maintenance Manual: Improved Supportability Analysis - Part 2

This report documents the procedures for utilizing and maintaining the Reliability & Maintainability Model (RAM) developed by the University of Dayton for the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC). The purpose of the grant is to provide support to NASA in establishing operational and support parameters and costs of proposed space systems. As part of this research objective, the model described here was developed. This Manual updates and supersedes the 1995 RAM User and Maintenance Manual. Changes and enhancements from the 1995 version of the model are primarily a result of the addition of more recent aircraft and shuttle R&M data.

Ebeling, Charles E.↗
DOE OSTI2016

Multilayer spectral graph clustering via convex layer aggregation

Multilayer graphs are commonly used for representing different relations between entities and handling heterogeneous data processing tasks. New challenges arise in multilayer graph clustering for assigning clusters to a common multilayer node set and for combining information from each layer. This paper presents a theoretical framework for multilayer spectral graph clustering of the nodes via convex layer aggregation. Under a novel multilayer signal plus noise model, we provide a phase transition analysis that establishes the existence of a critical value on the noise level that permits reliable cluster separation. The analysis also specifies analytical upper and lower bounds on the critical value, where the bounds become exact when the clusters have identical sizes. Numerical experiments on synthetic multilayer graphs are conducted to validate the phase transition analysis and study the effect of layer weights and noise levels on clustering reliability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Employing Weibull Analysis and Weakest Link Theory to Resolve Crystalline Silicon PV Cell Strength Between Bare Cells and Reduced- and Full-Sized Modules

Weibull analysis and weakest link theory are employed to resolve the probability of crystalline silicon PV cell fracture when measured as bare cells and when stressed in reduced- and full-sized modules. Experimental results indicated that the characteristic cell strength is reduced by ~20% once packaged into the laminate of a one-cell module and loaded in four-point flexure (4PF). This experimental observation was shown consistent with a weakest link theory prediction that the strength limiting flaws reside on the surface of the cell's edge. Here, the analysis is ultimately extended to present the equivalent loading of four-cell modules by uniform pressure and 4PF and a uniformly loaded full-sized module and demonstrates that smaller, representative, modules must be loaded to a much higher level than their parent full-sized modules to achieve an equivalent probability for cell fracture.

14 SOLAR ENERGY↗
DOE OSTI2012

The Use Of Computational Human Performance Modeling As Task Analysis Tool

During a review of the Advanced Test Reactor safety basis at the Idaho National Laboratory, human factors engineers identified ergonomic and human reliability risks involving the inadvertent exposure of a fuel element to the air during manual fuel movement and inspection in the canal. There were clear indications that these risks increased the probability of human error and possible severe physical outcomes to the operator. In response to this concern, a detailed study was conducted to determine the probability of the inadvertent exposure of a fuel element. Due to practical and safety constraints, the task network analysis technique was employed to study the work procedures at the canal. Discrete-event simulation software was used to model the entire procedure as well as the salient physical attributes of the task environment, such as distances walked, the effect of dropped tools, the effect of hazardous body postures, and physical exertion due to strenuous tool handling. The model also allowed analysis of the effect of cognitive processes such as visual perception demands, auditory information and verbal communication. The model made it possible to obtain reliable predictions of operator performance and workload estimates. It was also found that operator workload as well as the probability of human error in the fuel inspection and transfer task were influenced by the concurrent nature of certain phases of the task and the associated demand on cognitive and physical resources. More importantly, it was possible to determine with reasonable accuracy the stages as well as physical locations in the fuel handling task where operators would be most at risk of losing their balance and falling into the canal. The model also provided sufficient information for a human reliability analysis that indicated that the postulated fuel exposure accident was less than credible.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Solar Energy Research Institute for India and the United States (SERIIUS): Lessons and Results from a Binational Consortium

This book describes the development, functioning, and results of a successful binational program to promote significant scientific advances in Earth-abundant photovoltaics (PV) and concentrated solar power (CSP), advanced process/manufacturing technologies, multiscale modeling and reliability testing, and analysis of integrated solar energy systems. SERIIUS is a consortium between India and the United States dedicated to developing new solar technologies and assessing their potential impact in the two countries. The consortium consists of nearly 50 institutions including academia, national laboratories, and industry, with the goal of developing significant new technologies in all areas of solar deployment. In addition, the program focused on workforce development through graduate students, post-doctoral students, and an international exchange program. Particular emphasis was placed on the following efforts: creating disruptive technologies in PV and CSP through high-impact fundamental and applied research and development (R&D); identifying and quantifying the critical technical, economic, and policy issues for solar energy development and deployment in India; overcoming barriers to technology transfer by teaming research institutions and industry in an effective project structure; building a new platform for binational collaboration using a formalized R&D project structure, along with effective management, coordination, and decision processes; creating a sustainable network and workforce development program from which to build large collaborations and fostering a collaborative culture and outreach programs. This includes using existing and new methodologies for collaboration based on advanced electronic and web-based communication to facilitate functional international teams. The book summarizes the general lessons learned from these experiences.

14 SOLAR ENERGY↗
DOE OSTI2017

Topology optimization under uncertainty via non-intrusive polynomial chaos expansion

This paper presents a systematic approach for topology optimization under uncertainty that integrates non-intrusive polynomial chaos expansion with design sensitivity analysis for reliability-based and robust topology optimization. Uncertainty is introduced in loading and in geometry to address the manufacturing variability. The manufacturing variability is modeled via a thresholding technique in which the threshold field is represented by a reduced dimensional random field. Response metrics such as compliance and volume are characterized as polynomial chaos expansions of the underlying uncertain parameters thus allowing accurate and efficient estimation of statistical moments, failure probabilities and their sensitivities. The number of simulations is reduced for linear structures under loading uncertainty by means of superposition. Efficiency of the non-intrusive polynomial chaos approach is highlighted by comparison with the Monte Carlo method in terms of the number of simulations. To demonstrate the effect of uncertainty, optimized designs that consider uncertainty are compared to those that do not. Finally, comparisons of polynomial chaos expansion to existing analytical methods on a benchmark numerical example are also provided for reliability-based and worst case designs.

42 ENGINEERING↗
DOE OSTI2021

A dynamic price model based on supply and demand with application to techno-economic assessments of rare earth element recovery technologies

Rare Earth Elements (REEs) are essential for sustainable energy technologies. Techno-economic Assessments (TEAs) have been conducted to evaluate innovative approaches to recover REEs from waste streams. However, most TEA studies do not consider the price volatility of REEs, which raises concern over the reliability of the analysis in an unpredictable dynamic market. To address this shortcoming, a dynamic price model is proposed that adjusts REE price based upon supply-demand conditions. The dynamic market behavior is simulated and its effect on a TEA is examined via a case study. The results of the dynamic simulation indicate a growing trend of the market price for REE materials/products. Compared to a conventional TEA that does not consider price dynamics, a significant difference in economic performance metrics is identified from the dynamic TEA results. Finally, the proposed dynamic TEA method is not limited to a specific application and can provide insights for evaluating a broad range of technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Exploring Critical Synthetic Parameters for Nanoscale ε-Fe 2 O 3 and Their Influence on Magnetic Behaviors

An intermediate polymorph of iron oxide, ε-Fe 2 O 3 , has attracted significant attention due to its giant coercive field ( H c ) and potential applications in high-frequency millimeter-wave absorption and high-density magnetic recording. However, the fabrication of ε-Fe 2 O 3 with high phase purity is still a challenge due to complicated synthetic procedures and a large variety of reaction parameters. In this study, we have identified critical reaction parameters to improve the phase purity of ε-Fe 2 O 3 , and the effects of all possible reaction parameters have been tested through systematic studies. A combination of structural and magnetic characterization techniques provides us with an accurate and reliable phase purity analysis of the ε-Fe 2 O 3 phase. Specifically, we observed that (1) the reaction temperature and time and (2) the addition of Ba are critical parameters to improve the phase purity. We identified the optimal conditions that maximize the coercivity and phase purity, giving insight into the effects of each parameter on the γ- to ε- to α-phase-transition pathway. We obtained nearly single-phase ε-Fe 2 O 3 (~87 wt % with ~13 wt % α-phase) with a large coercivity of H c = 20.6 kOe, enabling us to obtain pure ε-Fe 2 O 3 by a simple magnetic separation protocol, and tuned the H c of the ε-Fe 2 O 3 nanoparticles in the range of 4.0–20.6 kOe by controlling the reaction parameters. Furthermore, the structural properties of the resulting ε-Fe 2 O 3 nanoparticles are confirmed by characterizing their chemical and magnetic properties using X-ray absorption spectroscopy and X-ray magnetic circular dichroism measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A Comprehensive View of Global Potential for Hydro-generated Electricity

In this study, we assess global hydropower potential using runoff and stream flow data, along with turbine technology performance, cost assumptions, and environmental considerations. The results provide the first comprehensive quantification of global hydropower potential including gross, technical, economic, and exploitable estimates. Total global potential of gross, technical, economic, and exploitable hydropower are estimated to be approximately 128, 39, 32, and 27 petawatt hours per year, respectively. The economic and exploitable potential of hydropower are calculated at less than 9 cents/kWh. We find that hydropower has the potential to supply a significant portion of the world energy needs, although this potential varies substantially by region. Globally, hydropower can potentially supply about 1.5 times the total electricity demand in 2005. Estimated hydropower resources in a number of countries are sufficient to accommodate their demand for electricity in 2005, e.g., Brazil (5.6 times), Russia (4.6 times), and Canada (3.5 times). A sensitivity analysis indicates that hydropower estimates are not highly sensitive to five key parameters: design flow (varying by -2% to +1% at less than 9 cents/kWh), cost and financing options (by -7% to +6%), turbine efficiency (by -10% to +10%), stream flow (by -10% to +10%), and fixed charge rate (by -6% to 5%). This sensitivity analysis emphasizes the reliable role of hydropower for future energy systems, when compared to other renewable energy resources with larger uncertainty in their future potentials.

Zhou, Yuyu↗
DOE OSTI2017

Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design

This study is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the constrains of a dense microstructure. A coupled electro-chemo-mechanical model was implemented to quantify the material properties that cause an SE to fracture. The treatment of microstructural details is essential to the understanding of stress-localization phenomena and fracture. A cohesive zone model is employed to simulate the evolution of damage. In the numerical tests, fracture is prevented when electrode-particle's expansion is lower than 7.5% (typical for most Li-intercalating compounds) and the solid-electrolyte's fracture energy higher than G c = 4 J m -2 . Perhaps counter-intuitively, the analyses show that compliant solid electrolytes (with Young's modulus in the order of E SE = 15 GPa) are more prone to micro-cracking. This result, captured by our non-linear kinematics model, contradicts the speculation that sulfide SEs are more suitable for the design of bulk-type batteries than oxide SEs. Mechanical degradation is linked to the battery power-density. Fracture in solid Li-ion conductors represents a barrier for Li transport, and accelerates the decay of rate performance.

25 ENERGY STORAGE↗
DOE OSTI2016

On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics

Well-defined criteria are proposed for assessing the accuracy of quantum master equations whose memory functions are approximated by Padé resummation of the first two moments in the electronic coupling. These criteria partition the parameter space into distinct levels of expected accuracy, ranging from quantitatively accurate regimes to regions of parameter space where the approach is not expected to be applicable. Extensive comparison of Padé-resummed master equations with numerically exact results in the context of the spin–boson model demonstrates that the proposed criteria correctly demarcate the regions of parameter space where the Padé approximation is reliable. The applicability analysis we present is not confined to the specifics of the Hamiltonian under consideration and should provide guidelines for other classes of resummation techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Reconstruction and uncertainty quantification of lattice Hamiltonian model parameters from observations of microscopic degrees of freedom

The emergence of scanning probe and electron beam imaging techniques has allowed quantitative studies of atomic structure and minute details of electronic and vibrational structure on the level of individual atomic units. These microscopic descriptors, in turn, can be associated with local symmetry breaking phenomena, representing the stochastic manifestation of the underpinning generative physical model. In this work, we explore the reconstruction of exchange integrals in the Hamiltonian for a lattice model with two competing interactions from observations of microscopic degrees of freedom and establish the uncertainties and reliability of such analysis in a broad parameter-temperature space. In contrast to other approaches, we specifically specify a loss function inherent to thermodynamic systems and utilize it to estimate uncertainty in simulated realizations of different models. As an ancillary task, we develop a machine learning approach based on histogram clustering to predict phase diagrams efficiently using a reduced descriptor space. We further demonstrate that reconstruction is possible well above the phase transition and in the regions of parameter space when the macroscopic ground state of the system is poorly defined due to frustrated interactions. This suggests that this approach can be applied to the traditionally complex problems of condensed matter physics such as ferroelectric relaxors and morphotropic phase boundary systems, spin and cluster glasses, and quantum systems once the local descriptors linked to the relevant physical behaviors are known.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

A search for warm/hot gas filaments between pairs of SDSS Luminous Red Galaxies

Abstract We search the Planck data for a thermal Sunyaev–Zel’dovich (tSZ) signal due to gas filaments between pairs of Luminous Red Galaxies (LRGs) taken from the Sloan Digital Sky Survey Data Release 12 (SDSS/DR12). We identify ∼260 000 LRG pairs in the DR12 catalogue that lie within 6–10 $h^{-1} \, \mathrm{Mpc}$ of each other in tangential direction and within 6 $h^{-1} \, \mathrm{Mpc}$ in radial direction. We stack pairs by rotating and scaling the angular positions of each LRG so they lie on a common reference frame, then we subtract a circularly symmetric halo from each member of the pair to search for a residual signal between the pair members. We find a statistically significant (5.3σ) signal between LRG pairs in the stacked data with a magnitude Δy = (1.31 ± 0.25) × 10−8. The uncertainty is estimated from two Monte Carlo null tests which also establish the reliability of our analysis. Assuming a simple, isothermal, cylindrical filament model of electron overdensity with a radial density profile proportional to rc/r (as determined from simulations), where r is the perpendicular distance from the cylinder axis and rc is the core radius of the density profile, we constrain the product of overdensity and filament temperature to be $\delta _\mathrm{ c} \times (T_{\rm e}/10^7 \, {\rm K}) \times (r_\mathrm{ c}/0.5h^{-1} \, {\rm Mpc}) = 2.7 \pm 0.5$. To our knowledge, this is the first detection of filamentary gas at overdensities typical of cosmological large-scale structure. We compare our result to the BAHAMAS suite of cosmological hydrodynamic simulations (McCarthy et al. 2017) and find a slightly lower, but marginally consistent Comptonization excess, Δy = (0.84 ± 0.24) × 10−8.

Tanimura, Hideki↗
DOE OSTI2015

Power System Protection and Resilient Metrics

During a real-time power system event, a system operator need to conservatively reduce the operating limits while changing system conditions are analyzed. The time it takes to develop new operating limits could affect millions of transmission system users especially if this event is classified by NERC as a Category D type event (extreme events resulting in the loss of two or more bulk electric system elements) . Controls for the future grid must be able to perform real-time analysis, identify new reliability risks, and set new SOLs (System Operating Limit) for real-time operations. In this paper we are inducing “Resilience Metrics” requirements that describe how systems operate at an acceptable level of normalcy despite disturbances or threats. We consider the interdependencies inherent in critical infrastructure systems and discuss some resilience metrics that can be distributed in current supervisory control and data acquisition (SCADA) to provide a level of state awareness. This level of awareness provides knowledge that can be used to characterize and reduce the risk of cascading events. A “resilience power system agent” is proposed that provides attributes to measure and perform this metrics.

42 ENGINEERING↗