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At least 235 records · Page 13

From the Cluster Temperature Function to the Mass Function at Low Z

This XMM project consisted of three observations of the nearby, hot galaxy cluster Triangulum Australis, one of the cluster center and two offsets. The goal was to measure the radial gas temperature profile out to large radii and derive the total gravitating mass within the radius of average mass overdensity 500. The central pointing also provides data for a detailed two-dimensional gas temperature map of this interesting cluster. We have analyzed all three observations. The derivation of the temperature map using the central pointing is complete, and the paper is soon to be submitted. During the course of this study and of the analysis of archival XMM cluster observations, it became apparent that the commonly used XMM background flare screening techniques are often not accurate enough for studies of the cluster outer regions. The information on the cluster's total masses is contained at large off-center distances, and it is precisely the temperatures for those low-brightness regions that are most affected by the detector background anomalies. In particular, our two offset observations of the Triangulum have been contaminated by the background flares ("bad cosmic weather") to a degree where they could not be used for accurate spectral analysis. This forced us to expand the scope of our project. We needed to devise a more accurate method of screening and modeling the background flares, and to evaluate the uncertainty of the XMM background modeling. To do this, we have analyzed a large number of archival EPIC blank-field and closed-cover observations. As a result, we have derived stricter background screening criteria. It also turned out that mild flares affecting EPIC-pn can be modeled with an adequate accuracy. Such modeling has been used to derive our Triangulum temperature map. The results of our XMM background analysis, including the modeling recipes, are presented in a paper which is in final preparation and will be submitted soon. It will be useful not only for our future analysis but for other XMM cluster observations as well.

Mushotzky, Richard↗

Recent developments in deployment analysis simulation using a multi-body computer code

Deployment is a candidate mode for construction of structural space systems components. By its very nature, deployment is a dynamic event, often involving large angle unfolding of flexible beam members. Validation of proposed designs and conceptual deployment mechanisms is enhanced through analysis. Analysis may be used to determine member loads thus helping to establish deployment rates and deployment control requirements for a given concept. Futhermore, member flexibility, joint free-play, manufacturing tolerances, and imperfections can affect the reliability of deployment. Analyses which include these effects can aid in reducing risks associated with a particular concept. Ground tests which can play a similar role to that of analyses are difficult and expensive to perform. Suspension systems just for vibration ground tests of large space structures in a 1 g environment present many challenges. Suspension of a structure which spatially expands is even more challenging. Analysis validation through experimental confirmation on relatively small simple models would permit analytical extrapolation to larger more complex space structures.

Housner, Jerrold M.↗

The effect of inflow velocity profiles on the performance of supersonic ejector nozzles

The design of supersonic nozzles is becoming increasingly complex as conflicting requirements for low noise, higher efficiency, and wider operating range are driving the designer toward more variable geometry and multiple stream flows. Analysis techniques must be modified and expanded to take into account these additional complexities and still retain the rapid computational rate necessary for optimization and design studies. A nozzle analysis must handle more flow streams, more complex geometries, and more highly distorted initial profiles. This paper discusses some modifications to a method for calculating the performance characteristics of supersonic ejector nozzles and demonstrates the improvement in results the modifications provide.

Bishop, A. R.↗

FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment (Final Report)

This report documents the FY25 Theory and Simulation Performance Target (TSPT) of developing an integrated modeling framework for fusion reactor design and assessment (FREDA). Over Q1-Q4, new capabilities were developed across both plasma and engineering domains and demonstrated on an example representation of a Compact Advanced Tokamak with a Dual Cooled Lead Lithium blanket. This represents a first-of-a-kind demonstration of coupled core-to-wall-to-engineering for a reactor. Self-consistent CESOL workflows were applied to provide core, pedestal, and SOL prediction; new modules were developed for energetic particle stability (FAR3D) and transport (TGLF-EP) analysis; and boundary plasma modeling (SOLPS-ITER, BOUT++/Hermes-3) was expanded to evaluate wall and divertor heat fluxes and interface with engineering thermal analysis. A parameterized CAD tool, TRACER, was expanded to generate medium-fidelity divertor, blanket, and coil geometries; OpenFOAM and Diablo workflows were applied for first-wall and divertor thermal analyses with helium cooling; and reduced-order models were created for high-mass-flux divertor cooling. Magnet multiphysics capabilities were verified between Elmer, Diablo, and a new MFEM-based solver, and workflows enable stress, thermal, and neutron-fluence analysis of TF coils with neutronics-driven heating. Nuclear and blanket analysis workflows were demonstrated, including tritium breeding, transport, and CFD-informed thermo-mechanical assessment. Preliminary multi-fidelity uncertainty quantification workflows were applied to boundary modeling codes and shown to achieve variance reductions with fewer high-fidelity boundary simulations. Key findings highlight the challenges of resolving the ITEP gap to find suitable balance between wall and divertor loads, neutron heating, and practical limits of PFC cooling. Next step priorities are to develop automated workflows to check boundary code convergence and detachment, implement tighter physics-engineering CAD provenance tracking, and inclusion of plasma-material interface models for SLAG and tungsten cracking behavior. Collectively, these developments establish sophisticated capabilities for predictive, multi-fidelity, whole-device modeling that integrates plasma physics, materials, magnets, and nuclear engineering to guide pathways to viable Fusion Pilot Plant design points.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Building commissioning costs and savings across three decades and 1500 North American buildings

B.V. Building commissioning (Cx) is a process for assuring efficient building operations that can be applied to new construction and existing buildings, resulting in energy and non-energy benefits. Quantifying the benefits of commissioning is challenging, but a 2009 study of 643 commercial buildings provided a solid initial data set to which we added 839 additional buildings for a significantly expanded and updated meta-analysis representing 34.7 million square meters (373 million square feet) of floor area. Since 2009 the commissioning industry has continued to grow, driven by building codes, utility programs, and rising awareness of commissioning benefits. In parallel, building controls have become more sophisticated, and analytics software has emerged to assist with commissioning. We find that delivery mechanism and market segment are key determinants of outcomes, although significant and cost-effective savings are found across the spectrum. Median primary energy savings for Cx projects in existing buildings ranged from 5 percent for those conducted under utility programs, 9 percent for monitoring-based commissioning utility programs (i.e., augmented with submetering and diagnostics), and 14 percent for Cx projects outside of utility programs. Across all project types, median savings ranged from 3 percent for the lodging market segment to 16 percent for public order and safety facilities. Outcomes did not vary significantly by building size or by market segment. Energy savings are rarely estimated for new construction commissioning. We found that the median costs of Cx were lower for the 2018 sample than for the 2009 sample—$\$$2.85 per square meter ($\$$0.26 per square foot) for existing buildings (a 33 percent reduction) and $\$$8.78 per square meter ($\$$0.82 per square foot) for new construction (a reduction of almost 50 percent). The median simple payback time for existing buildings was 1.7 years, with a 25th–75th percentile range of 0.8–3.5 years. Overall, this article summarizes these and other key findings, and discusses how the 2018 data reflects shifts in commissioning practice and outcomes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Two-dimensional retrieval methods for ultrafast imaging of molecular structure using laser-induced electron diffraction

Molecular structural retrieval based on electron diffraction has been proposed to determine the atomic positions of molecules with sub-angstrom spatial and femtosecond temporal resolutions. Given its success on small molecular systems, in this work, we point out that the accuracy of structure retrieval is constrained by the availability of a wide range of experimental data in the momentum space in all molecular systems. To mitigate the limitations, for laser-induced electron diffraction, here we retrieve molecular structures using two-dimensional (energy and angle) electron momentum spectra in the laboratory frame for a number of small molecular systems, which have previously been studied with 1D methods. Compared to the conventional single-energy or single-angle analysis, our 2D methods effectively expand the momentum range of the measured data. Besides utilization of the 2D data, two complementary methods are developed for consistency check on the retrieved results. Further, the 2D nature of our methods also offers a way of estimating the error from retrieval, which has never been explored before. Comparing with results from prior experiments, our findings show evidence that our 2D methods outperform the conventional 1D methods. Paving the way to the retrieval of large molecular systems, in which their tunneling ionization rates are challenging to obtain, we estimate the error of using the isotropic model in place of including the orientation-dependent ionization rate.

74 ATOMIC AND MOLECULAR PHYSICS↗

Atomic Electron Tomography of Thin Films

In the past decade, the development of atomic electron tomography (AET) [1] has allowed for the 3D characterization of atomic positions in nanoparticle [2], monolayer [3], and needle [4] geometries. Furthermore, many technologically important systems are synthesized and utilized as thin films. Several challenges in sample preparation and data analysis have been overcome to expand the scope of AET to these systems. Polycrystalline yttrium-doped hafnium dioxide (HfO 2 ) was chosen as a model system, because it is technologically relevant as a high capacitance dielectric and ferroelectric.

74 ATOMIC AND MOLECULAR PHYSICS↗

A Discussion of Strength Reduction Factor Development for Thermal Aging Effect on Nuclear Structural Alloys

In consideration of structural alloy property deterioration during long-term exposure to elevated temperatures, the yield and ultimate tensile strength reduction factors are provided in the Boiler and Pressure Vessel Code Section III for nuclear reactor component design and operation analysis. Because the Gen IV reactor requirement of 40 ~ 60 years of service life makes it difficult to acquire such long exposure test data for developing the reduction factors, they must be derived from test data with relatively short exposure by predictive methods considered to be reasonably reliable. A novel approach with a physically-based model has recently been proposed for application to development of reduction factors for 9Cr-1Mo-V. In the model, contributors to the tensile strength are first identified and related to definite microstructural features of the alloy, then some physically-based methods are employed to simulate the microstructural evolution, and finally the model is assembled with test-data-calibrated parameters to generate the yield and ultimate tensile strength reduction factors covering elevated temperature exposure for up to 57 years. The approach is undoubtedly a trailblazing development that will, if proven reliable, lead to a paradigm shift in predicting thermal aging behavior of many other alloys. Its debut application to Section III, however, concerns nuclear safety and naturally warrants objective, impartial, and thorough technical scrutiny. In the present paper, the novel and conventional approaches are discussed. Necessary improvements to the novel approach are recommended for its application to nuclear structural component design and analysis, and for its potential expanded use to other alloys.

Ren, Weiju↗

Deciphering competing elementary steps to correlate electrocatalyst chemical state with activity

The overpotential in multielectron transfer heterogeneous electrocatalysis fundamentally arises from thermodynamic and kinetic disparities among elementary steps; however, deciphering coupled and competing steps has long remained a challenge. Here, we establish an electrochemical deconvolution paradigm based on key processes in electrocatalytic reactions, such as charge accumulation, electron/proton transfer, and intermediate evolution, to resolve competing elementary steps. Taking the oxygen evolution reaction as a prototypical reaction, we design a model catalyst featuring a precise isolated cation-anion vacancy pair and track the previously elusive electrochemical behavior of lattice oxygen by disentangling interference from adsorbed oxygen intermediates. Mechanistically, the lattice oxygen oxidation pathway originates from the spontaneous, nonelectrochemical deprotonation of replenished water molecules coordinated to unsaturated cation sites. Alternating current techniques further reveal that although lattice oxygen oxidation requires a higher potential than metal oxidation, it exhibits faster kinetics, providing insight into its superior catalytic activity. These findings establish a direct experimental correlation between the initial chemical state and the catalytic activity and prove surface-confined lattice oxygen cycling. Furthermore, expanding conventional potential-current analysis into a multidimensional framework enables disentanglement of thermodynamic and kinetic contributions of key elementary steps, thereby guiding the rational optimization of various complex multielectron transfer reactions.

OER↗

Onboard/Origin-Destination Survey - Phoenix - 2007

In 2007, the Valley Metro Regional Public Transportation Authority, with consultant support, conducted an origin and destination survey of Valley Metro riders. The self-administered surveys were conducted among riders of fixed-route bus service: Local, Circulator, Limited, Rural, Express, and RAPID bus. Data collection was performed from October 8 through December 18, 2007. The objectives of the survey were to examine the demographics and travel behavior characteristics of Valley Metro riders. The survey data used for this analysis were appropriately weighted and expanded to represent the unlinked trips made by Valley Metro riders.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Assessing the Implementation of an SDM at Sandia and LLNL

This report assesses the proposed implementation of a Scientific Data Management system that could be co-developed by LLNL and SNL and installed at each lab. In the current view, the systems would not be connected to each other. This report examines the different collaboration possibilities and status of planning and implementation of the teams at LLNL and SNL. The report uses identified requirements from previous work that has been done and documented in [1]. In that work, a set of simulation data management requirements was developed during a series of meetings, starting from requirements developed by Sandia Laboratory. These requirements are expected to evolve, and it is recommended that these requirements be revisited and updated for the following reasons: 1- Advancement in the computing hardware and software which leads to more processing power and better data movement speeds. 2- Advancement in computer algorithms which creates opportunities for better data management and analysis. 3- The need to expand and add to the capabilities of the SDM tools due to advancement in the applications software and due to new requirements by the scientific community. This report builds upon the experience from the work that has been done by some of the team members and the current SDM development efforts at LLNL and Sandia.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Pressurizing Hagan and SAVY containers to 30-psig (air) to measure the release of analytical cerium oxide test powder

The need to pressure-test known nuclear material storage containers has been made apparent by the CSE (cognizant systems engineer) assigned to containers at TA-55. The main goal of the current study is to understand the behavior of the SAVY-4000 and Hagan containers during an internal pressurization (30 psig) event. The experiments incorporated a nominal mass of 100 g of CeO 2 (cerium oxide) powder to simulate MAR (material at risk) conditions. For the experimental results with mass losses of 0.0±0.1 g mass loss), using ASME error analysis, there is a total expanded uncertainty in a 95% confidence interval (±0.25 g) for the tested SAVY-4000 and Hagan containers. For purposes of conservatism, this has been rounded upward to yield a bounding value for the damage ratio DR = 0.003 = 0.3%.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Criteria for Capture and/or Immobilization Technologies (Revision 1)

The capture and subsequent immobilization of regulated volatile radionuclides from the off-gas streams of a used nuclear fuel (UNF) reprocessing facility has been a topic of substantial research interest for the US Department of Energy and its international counterparts. Removal of specific radionuclides from the plant effluent streams before discharge to the environment is required to meet regulations set forth by the US Environmental Protection Agency. Upon removal, the radionuclides, as well as associated sorbents that cannot be regenerated in a cost-effective manner, are destined for conversion to a waste form. Research in separation and capture methodologies has included a wide range of technology types, and studies of waste forms are correspondingly diverse. In considering the future development and implementation of both sorbents and waste forms, it is necessary to identify benchmark measures of performance to objectively evaluate each sorbent system or waste form. Sets of performance criteria and associated metrics have been developed for sorbent and waste form evaluation. These criteria address physical, radiological, and chemical characteristics, technical practicality, technical maturity, cost, and, for sorbents, system performance. The criteria and metrics appear to be robust and should be applicable despite the eventual waste classification (as either high- or low-level waste). They are flexible enough to address both aqueous reprocessing and electrochemical reprocessing of UNF. These criteria sets can serve as tools to evaluate performance at multiple stages within the development process, and in this revision (Revision 1) they have been used to assess technologies relating to krypton/xenon separations and iodine capture from off-gas streams arising from UNF reprocessing. Assessment of krypton/xenon separations using engineered forms of two zeolite minerals (silver mordenite and hydrogen mordenite in a polyacrylonitrile-based binder [AgZ-PAN/HZ-PAN]) found that the zeolite-based separation is relatively advanced in its development, but several key issues require resolution. First, desorption processes for both krypton and xenon require refinement to provide an understanding of the product purity that can be achieved. Second, adsorption rate data is needed in order to calculate the bed depth required for effective separation. Finally, it is strongly recommended that a technical review of krypton/xenon separation by AgZ-PAN/HZ-PAN be performed to synergize available data and assess the cost savings and operational benefits that may be realized from implementation of this technology. Assessment of metal organic frameworks (MOFs) for their use in the separation of krypton/xenon found that the ideal separation would be performed using a single-column system with a MOF selective for krypton over xenon. A robust research effort should work to identify a krypton-selective MOF designed to operate at temperatures of approximately 0°C or higher, which could be preferred over cryogenic krypton/xenon capture for used fuel reprocessing off-gas streams. In the case of the CaSDB-MOF (the most well-understood xenon sorbent to date), two issues are judged of high importance. First, xenon breakthrough capacity for the CaSDB-MOF in prototypical conditions should be determined. Preliminary research indicates that breakthrough may be near immediate, presenting a substantial obstacle in separative system design. Second, development of desorption methodology should be performed to determine regeneration time, energy requirements, and the product stream composition. Silver-based sorbents (AgZ and AgAero) for use in iodine capture from the dissolver off-gas were evaluated against the established criteria. These sorbents are significantly better understood for this application as a result of research efforts over the past decade. The potential implementation of AgAero at a large scale is hindered by its physical degradation by components of the dissolver off-gas stream. Less is known about the adsorption of iodine by these sorbents from other off-gas streams in the plant. Initial experimental efforts have been closely coordinated in an effort to understand organic iodine (such as would be found in the vessel off-gas) adsorption by AgZ and AgAero. Future work should expand this experimental program, and analysis of other reprocessing facility off-gas streams such as the vitrification off-gas stream should be conducted to better understand other potential applications for iodine sorbents. A review of iodine waste form development shows that this area is diverse and that multiple promising waste forms have been identified for the immobilization of radioactive iodine. Efforts related to the direct conversion of iodine sorbents (including AgZ and AgAero) should be continued because of the advantages of direct conversion in a waste management strategy and other sorbents should continue to be advanced as merited.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Northwest Combined Heat and Power Technical Assistance Partnership: Final Scientific/Technical Report

During the years of 2018 through 2023, The Washington State University Energy Program (WSU EP) operated the Northwest Combined Heat and Power Technical Assistance Partnership under contract to the US Department of Energy’s Advanced Manufacturing Office (AMO), a part of DOE’s larger Office of Energy Efficiency and Renewable Energy. This contract provided direction and funding for providing technical outreach, information and technical/economic analysis services in support of expanding development of Combined Heat and Power (CHP) over a four state region in the Pacific Northwest. The states served included Alaska, Idaho, Oregon and Washington. During the duration of this contract, the WSU EP delivered performed specific assigned tasks and provided services of various generally prescribed types, with the overall goal of increasing adoption of CHP as an efficient heat and power supply in the region. Indications – though not formally evaluated to our knowledge – are that this goal was achieved. Over many years, the WSU team has provided support for CHP developments in these states under similar previous Department of Energy contracts, and many such projects have been built. While the early-phase outreach, education and techno-economic assessments that the NW CHP TAP provides rarely immediately result in project construction, there is no doubt that the WSU EP team has had substantial influence in the construction of a number of important CHP projects in the region. Examples of projects implemented directly under the current team’s guidance and services during this contract cycle include an 875 kilowatt biomass fueled CHP system installed at the University of Idaho, and 5 megawatt natural gas fueled CHP system at the University of Montana ( UM Breaks Ground on New Power Facility, Slashes Emissions 30% (umt.edu) ). Many other CHP systems recently installed are also either directly or at least partially the result of information and technical services provided by the team. Finally, though much more difficult to quantify and less glamorous, the team has helped countless organizations to understand CHP and determine whether and how CHP may be a fit for them, before they consider paying for engineering services. Whether the ultimate outcome has been to include CHP or not, the expert skills provided by the NW CHP TAP team have provided real value to these organizations considering this relatively complex technology. Over the duration of the contract our team provided 71 Initial Technical Assessments and 17 Advanced Technical Assessments; 53 End-User Engagements and 33 Stakeholder Engagements of various types; 42 Technical Profiles (Project Profiles, Program Profiles and Policy Profiles), and produced 14 technical articles for the Department of Energy. Unfortunately, these quantities provide no measure of the value that the team has provided. Only our clients can judge that, and we are confident that they are pleased with the benefits we have offered them.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Enhanced PDV waveform search and analysis method using parallel circular-convolution / cross-correlation for improved dynamic surface velocity extraction [Poster]

Previous work on exhaustive search methodologies for extracting best-match parameters pertaining to dynamic surface quantities from PDV was done by cross-correlating synthetically generated PDV waveforms with observed counterparts using the circular-convolution theorem. This work was further developed into an open-source PDV analysis toolkit called CCPDVANALYSIS which expands upon and enhances the previously tested methods by parallelizing serial algorithmic components and incorporating a comprehensive script library for different flavors of instantaneous frequency functions utilized in generating synthetic PDV waveforms. Results of these enhancements have been shown to markedly decrease execution times of exhaustive search and extraction algorithms and produce improved velocity recoveries for low-velocity and dynamically varying velocity signals. The CCPDVANALYSIS script library demonstrates an advanced method for extracting velocities from low-velocity and non-constant velocity signals further extending and improving the methods beyond capabilities of traditional frequency domain tools.

97 MATHEMATICS AND COMPUTING↗

A Targeted Sequencing Assay for Serotyping Escherichia coli Using AgriSeq Technology

The gold standard method for serotyping Escherichia coli has relied on antisera-based typing of the O- and H-antigens, which is labor intensive and often unreliable. In the post-genomic era, sequence-based assays are potentially faster to provide results, could combine O-serogrouping and H-typing in a single test, and could simultaneously screen for the presence of other genetic markers of interest such as virulence factors. Whole genome sequencing is one approach; however, this method has limited multiplexing capabilities, and only a small fraction of the sequence is informative for subtyping or identifying virulence potential. A targeted, sequence-based assay and accompanying software for data analysis would be a great improvement over the currently available methods for serotyping. The purpose of this study was to develop a high-throughput, molecular method for serotyping E. coli by sequencing the genes that are required for production of O- and H-antigens, as well as to develop software for data analysis and serotype identification. To expand the utility of the assay, targets for the virulence factors, Shiga toxins ( stx 1 , and stx 2 ) and intimin ( eae ) were included. To validate the assay, genomic DNA was extracted from O-serogroup and H-type standard strains and from Shiga toxin-producing E. coli , the targeted regions were amplified, and then sequencing libraries were prepared from the amplified products followed by sequencing of the libraries on the Ion S5™ sequencer. The resulting sequence files were analyzed via the SeroType Caller™ software for identification of O-serogroup, H-type, and presence of stx 1 , stx 2 , and eae . We successfully identified 169 O-serogroups and 41 H-types. The assay also routinely detected the presence of stx 1a,c,d (3 of 3 strains), stx 2c−e,g (8 of 8 strains), stx 2f (1 strain), and eae (6 of 6 strains). Taken together, the high-throughput, sequence-based method presented here is a reliable alternative to antisera-based serotyping methods for E. coli .

Elder, Jacob R.↗

Nozzle flow of laser-heated radiating hydrogen with application to a laser-heated rocket

This paper presents a model for the steady heating of flowing hydrogen by a CW 10.6 micron laser, to consider the feasibility of a laser-heated rocket. The hydrogen flow and the laser beam are parallel, and move into a converging-diverging nozzle. The absorption of laser energy is initiated by a laser-supported combustion wave. The hydrogen is in chemical equilibrium, absorbs laser energy by inverse Bremsstrahlung, and loses energy by radiation. The hydrogen flow was calculated from the rear of the LSC wave to the throat. Estimates of convective heat losses were made using a hydrogen boundary layer analysis. Specific impulse, obtained by expanding isentropically from the throat to 1 atm or a vacuum, varies from 1400 to 3000 s. Radiation losses are 5 to 20%, though the energy fluxes to the walls are quite high. Convective loss estimates are high enough to indicate that coupling to the hot gas flow is required for a 10 kW engine, but not for a 5 MW engine.

Kemp, N. H.↗