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At least 37 records · Page 2

Likelihood-based interactive local docking into cryo-EM maps in ChimeraX

The interpretation of cryo-EM maps often includes the docking of known or predicted structures of the components, which is particularly useful when the map resolution is worse than 4 Å. Although it can be effective to search the entire map to find the best placement of a component, the process can be slow when the maps are large. However, frequently there is a well-founded hypothesis about where particular components are located. In such cases, a local search using a map subvolume will be much faster because the search volume is smaller, and more sensitive because optimizing the search volume for the rotation-search step enhances the signal to noise. A Fourier-space likelihood-based local search approach, based on the previously published em_placement software, has been implemented in the new emplace_local program. Tests confirm that the local search approach enhances the speed and sensitivity of the computations. An interactive graphical interface in the ChimeraX molecular-graphics program provides a convenient way to set up and evaluate docking calculations, particularly in defining the part of the map into which the components should be placed.

59 BASIC BIOLOGICAL SCIENCES

169 Tm(n,$\gamma$) cross section measured at DANCE

During the US nuclear testing program, known tracer materials could be loaded into the device prior to detonation. If those materials had activation products from nuclear reactions, they could be recovered and counted post-test to study how they transmuted during the neutron exposure. This information may be used to try to infer information about the physical conditions during the detonation. These materials are often referred to as “radiochemical detectors” or “radiochemical tracers”. Thulium, which has only one stable isotope, thulium-169, is one such material that may be employed as a detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

DEReliction: A Cybersecurity Vulnerability Assessment Methodology for Distributed Energy Resources

With the increasing integration of Distributed Energy Resources (DER) into the electric grid, maintaining grid reliability and resilience requires that these devices remain secure. This paper discusses a cybersecurity vulnerability assessment methodology that incorporates best practices from Sandia National Laboratories, SANS Institute, OWASP Foundation, and other web and Internet of Things (IoT) penetration testing (“pen testing”) programs, courses, and frameworks for assessing the security posture of devices. The methodology involves five sequential steps: (1) Collect Public Information, (2) Extract Hardware Details, (3) Inventory Software Components, (4) Identify Vulnerabilities, and (5) Test Vulnerabilities. Each step uncovers potential weaknesses in both hardware and software components of DER devices, considering adversary tactics, techniques, and procedures (TTPs), and potential attack vectors along the way. The results from the execution of this method on multiple residential- and small commercial-scale photovoltaic (PV) inverters reveled hardware and software vulnerabilities, which highlight the benefit of taking a methodical approach to discover vulnerabilities. While the specific vulnerability details are not shared here, a generalized overview of findings underscore the importance of robust security assessments for DER devices. Adoption of an assessment framework of this kind will identify and mitigate cybersecurity threats and bolster the resilience of DER-integrated electric grids.

24 POWER TRANSMISSION AND DISTRIBUTION

Using FIPD and OPTD to Benchmark Metallic Fuel Performance

This report serves as an introduction, tutorial, and benchmark specification for out-of-pile tests on metallic fuel. It introduces a new user to the EBR-II legacy fuel performance test program and the fast reactor fuel performance databases built to preserve the records. It then details the information stored in each database and how to find it. A benchmark specification is included for a small set of out-of-pile tests on U-10Zr fuel to function as a tutorial demonstrating how the legacy fuel performance data sets stored in the FIPD and OPTD databases can be used together to benchmark fuel performance models for steady-state and transient performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Self-Lubricating Bushing Testing for John Day Dam Ka plan Turbine Replacement

The goal of this testing program is to find suitable self-lubricated alternatives to replace the in use oil lubricated grooved-bronze bushing in Kaplan runner hubs that are currently being utilized at John Day Dam operated by the U.S. Army Corps of Engineers (USACE). Scaled bushing testing utilizing a Pacific Northwest National Laboratory designed, fabricated, and operated Bushing Test Stand under the direction and funding from USACE determined that self-lubricated bushings tested appear capable of outperforming the current oil-lubricated bronze bushings. Performance tests are focused on durability which includes cyclic load bearing properties and articulations under various loading scenarios. This testing was performed at nominally 1/5 th scale. A scaling sensitivity analysis determined that scaled testing results apply to prototypic size. This report shows the direct comparison between the current baseline bronze bushing to self-lubricated bushings from various manufacturers. Bushing data like coefficient of friction and bushing material loss (associated with bushing wear) was determined. Self-lubricated bushings tested include products manufactured specifically for hydropower applications by the following companies: Trelleborg, Kamatics, Anonymous, and Tenneco/Deva.

42 ENGINEERING

Mitigation for roof alterations to building 06-cp-65 at the area 6 control point, nevada national security site, nye county, nevada

Building 06-CP-65 has been determined to be a contributing element to the Area 6 Control Point Historic District (O’Neill et al. 2021; Reed 2022). It contributes to the significance of the historic district under Criterion A as one of the principal buildings that supported timing and firing operations for nuclear testing on the NNSS from 1966 to 1992. As such, the building served as a major warehouse with office space within the district. It was used by both REECo, a long-time general contractor at the NNSS, as well as EG&G, which provided technical support to the national laboratories and the DOD. The building served as an important staging area and electrical power supply point for the NNSS diagnostic trailer fleet and its unique location immediately along Mercury Highway allowed easy accessibility to the forward areas of the NNSS. The building also contributes to the historic district under Criterion C as it is one of the large, unadorned, precast concrete buildings at the Control Point. These types of buildings were the prominent elements of the compound that convey the district’s overall utilitarian, military-industrial character. Building 06-CP-65 retains all aspects of integrity to a high degree and easily conveys its significance as a warehouse that supported Control Point operations. Building 06-CP-65 is not recommended eligible for listing in the NRHP as an individual resource. While it served an important support function as part of the Control Point Historic District, an archival and literature review did not reveal information linking it to any specific test, series of tests, programs, or for any specific role on the NNSS other than as a warehouse (Criterion A). It has no direct association with any important individual (Criterion B). It also is not architecturally significant in its own right beyond reflecting the overall aesthetic of the Control Point Historic District (Criterion C), and it does not have potential to yield information important to the history of nuclear testing beyond what can be learned from historic texts, drawings, and other documents (Criterion D).

54 ENVIRONMENTAL SCIENCES

Slow Strain Rate Testing of A537 Tank Wall Material

At Savannah River Site (SRS), High-Level Waste is stored in below-grade carbon steel tanks. This waste in part consists of sludge, salt cake, and/or supernate. Preparation of this waste for future processing involves dissolution of the salt cake layer. The salt dissolution process can create conditions that leave the carbon steel tanks susceptible to localized corrosion. The salt to be dissolved contains high concentrations of nitrate, that once released, create an environment that may be conducive to pitting corrosion and/or stress corrosion cracking (SCC) of carbon steel. The salt dissolution process also liberates interstitial liquid trapped between the salt crystals. This liquid is initially high in nitrite and hydroxide concentration. High pH and greater ratios of nitrite to nitrate act as inhibitors to minimize corrosion of carbon steel in high nitrate environments. However, as dissolution proceeds, the concentration of nitrate will increase, while the hydroxide and nitrite concentration of the interstitial liquid will deplete and become insufficient to prevent the onset of corrosion attack. Tank blending and the addition of inhibitors are used to ensure adequate concentrations of hydroxide and nitrite. However, this is not desirable during salt dissolution as it can reduce process efficiency and increase the amount of waste that needs processing. This testing program was designed to examine the risk of SCC associated with utilizing the pitting factor (PF) and nitrite/nitrate (NO 2 - /NO 3 - ) ratio limits for handling dissolved salt solutions at an elevated temperature in the carbon steel waste tanks. The previously identified limits are a PF of 1.2 and an NO 2 - /NO 3 - ratio of 0.15. The results indicate that as long as the NO 2 - /NO 3 - ratio exceeds 0.1 and the PF is above approximately 0.8, there is a discernible safety margin between the open circuit potential (OCP) and the critical cracking potential (CCP) observed during applied potential testing. However, this margin, defined by the difference between the OCP and CCP, is relatively narrow, ranging from 0.1 to 0.25 volts. This small margin raises concerns about potential shifts in OCP during waste retrieval operations, which could inadvertently increase the risk of SCC if the OCP approaches or exceeds the CCP. These results confirm that dissolved salt solutions provide a potent chemistry that, under certain conditions, makes carbon steel susceptible to SCC. The next question to consider is the influence these results have on decisions for storage and retrieval of waste from the tanks. For Type III/IIIA waste tanks, the risk of SCC remains very low. First, and most importantly, the post-weld stress relief of the tanks has reduced the residual stress near the welds. Thus, without the stress component, SCC risk is minimized. The material of construction (A537 Carbon steel) for the Type III/IIIA tanks is superior to the steel in its resistance to SCC than the steel that was utilized for the Type I, II, and IV tanks (A285 carbon steel). From a chemistry control standpoint for a Type III/IIIA tank directly involved with handling dissolved salt solutions, the PF and NO 2 - /NO 3 - ratio limits may be utilized wherein chemistry control provides an extra layer of defense against SCC. Chemistry control for a Type III/IIIA tank minimizes the risk for a tank that may receive the dissolved salt solution, particularly if that tank is a Type I, II, or IV waste tank. On the other hand, if the dissolved salt solution is handled by a Type I, II, or IV waste tank the risk of SCC is real. The potent chemistry, absence of stress relief, and inferior material result in a condition that is conducive to cracking. Efforts should be made to either avoid transferring waste that may not meet the PF and NO 2 - /NO 3 - ratio criteria to one of these tanks or if it is unavoidable, take measures to minimize the consequences of a leak. As shown by these tests, even if the PF and NO 2 - /NO 3 - ratio criteria are met, there is a risk that the tank potential may be disturbed in the positive direction and the risk of SCC increase.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W

Explosive Byproduct Gas Transport Through Sorptive Geomedia

Current underground nuclear explosion (UNE) detection strategies rely heavily on atmospheric noble gas sampling of radioxenon. However, discriminating nuclear weapons testing programs from civilian sources is difficult due to highly variable atmospheric radioxenon backgrounds and processes affecting subsurface transport of parent radionuclides. Here, we aim to study the transport of gases produced by subsurface explosions as novel stable signatures for underground nuclear explosion (UNE) monitoring. These gases may be produced in large quantities with distinct molecular ratios, which will be impacted by subsurface transport processes. To demonstrate how ratios of gases produced by explosions can change during transport in geomaterials, we conducted laboratory benchtop experiments on the transport of carbon dioxide (CO 2 ) and hydrogen (H 2 ) gases through variably saturated zeolitic tuff, which is abundant at the historic US testing site. We observed that zeolitic tuff sorbs substantial quantities of CO 2 while allowing H 2 to transport more freely, leading to changes in the molecular ratios of the two gases along the transport pathway. Gas uptake in the dry zeolitic tuff core was 72.3% for CO 2 , compared with 53.4% for xenon and 7.6% for H 2 . The presence of 20% water saturation disrupted the CO 2 sorption process, though to a lesser extent than observed for noble gases, with a 36.7% drop in xenon sorption compared with a 21.9% drop for CO 2 . These results represent the first observations of zeolite sorption altering explosive gas ratios during transport through geomedia relevant to nuclear proliferation monitoring.

54 ENVIRONMENTAL SCIENCES

Radio Frequency Transients Correlated with Electron Flux Measured On-Board the STP-Sat6

We analyzed transient electromagnetic signatures, referred to as spacecraft environment discharges (SEDs) or on-board discharges (OBDs), and the in-situ particle environment simultaneously measured by the Radio Frequency Sensor (RFS) and the Space and Atmospheric Burst Reporting System Z-plasma spectrometer (SABRS-ZPS), respectively. These sensors are on-board the U.S. Department of Defense Space Test Program Satellite 6 (STP-Sat6) in geostationary orbit. Radio frequency signatures of SEDs on STP-Sat6 have relatively high peak amplitudes; they often caused amplitude-saturation in the so-called high band (120–140 MHz frequency range) of the RFS likely due to the proximity of their source to the RFS’s dipole antennas. We examined the occurrence rate of SEDs reported by the RFS and its temporal relationship to electron flux in the 7.9–12.2 keV range. Peaks in SED count rates were time-correlated with peaks in electron flux. The electron-flux peaks appeared to lead the SED count rate peaks by 24–45 min for the 7.9–12.2 keV energies. This indicates that incidence of electrons at this relatively low-energy range likely resulted in ramping up of the charging of the spacecraft leading to periods of high occurrence rates of discharges in and around the spacecraft.

54 ENVIRONMENTAL SCIENCES

Alternatives to NIST Cf-252 Iirradiations for Transfer Calibration of S-32 Neutron Monitors

Gas-flow proportional counting systems are used by the Radiation Metrology Laboratory (RML) at Sandia National Laboratories for reactor fluence monitoring with the 32 S(n,p) 32 P reaction. Calibration of these systems has traditionally been accomplished by fluence-transfer irradiations at the NIST 252 Cf facility. Such calibrations have become increasingly difficult as the NIST 252 Cf source decayed to unusable levels. To minimize the risk to the testing programs from an inability to properly calibrate these systems, the RML has developed two alternative calibration techniques: 1) development and implementation of certified 32 P sources for activity calibrations and subsequent calculation of neutron fluence, and 2) direct counting of non-certified reactor-irradiated sulfur pellets by liquid scintillation counting to determine 32 P activity for the subsequent calibration of gas-flow proportional counters. Preliminary comparisons show that the several calibration methods are capable of overall uncertainties within about 5 percent.

Vehar, David W.

Laboratory tests of laser control of electron beams for future colliders

Laser-driven Compton backscattering (CBS) has been proposed as method for controlling the intensity of colliding bunches in the FCC-ee so as to avoid the flip-flop instability caused by intensity asymmetry in colliding bunches. Laser-based collimation has also been proposed as an indestructible collimator for high-intensity electron beams. We have initiated a laboratory-based test program of these concepts with the E344 experiment at FACET-II. In this paper, we describe simulations of laser–beam interactions at FACET-II and the relevant scaling for FCC-ee. We also describe the experimental setup and diagnostics that will be used to make the measurements at FACET-II.

accelerator physics

Low RF loss DC conductive ceramic for RF windows

Charging of RF windows has historically been problematic, frequently resulting in damage to the window severe enough that the window needs to be replaced. Many attempts have been made to prevent charging and therefore improve window lifetime, the most successful and common of which is coating the window with titanium nitride (TiN). Surface coatings such as TiN rely on the secondary electron yield of the coating material being lower than that of the ceramic window material, reducing the number of electrons emitted from a variety of mechanisms. An alternative approach is to introduce a small amount of DC conductivity to the ceramic itself, turning the traditionally insulating window into a mildly conductive one. This allows any charge on the surface of the window to drain rather than build until a discharge happens. A magnesium titanate ceramic has been developed with a small DC conductivity and used to make RF windows. Several window assemblies have been produced and tested, including 1.3 GHz waveguide and 650 MHz coaxial designs. The results of the conductive ceramic window test program will be presented.

43 PARTICLE ACCELERATORS

Sandia Toolkit Manual (V.5.21.1)

This report provides documentation for the Sandia Toolkit (STK) modules. STK modules are intended to provide infrastructure that assists the development of computational engineering software such as finite-element analysis applications. STK includes modules for unstructured-mesh data structures, reading/writing mesh files, geometric proximity search, transfers, MPMD coupling support, and various other utilities. This document contains a chapter for each module, and each chapter contains overview descriptions and usage examples. Usage examples are primarily code listings which are generated from working test programs that are included in the STK code-base. A goal of this approach is to ensure that the usage examples will not fall out of date.

97 MATHEMATICS AND COMPUTING

Advanced Compressors for CO2-Based Power Cycles and Energy

Pumped thermal energy storage (PTES) is a cost-effective method for grid-scale, long-duration electrical energy storage (LDES). PTES uses a heat pump cycle to transfer thermal energy from a low temperature reservoir (LTR) to a high temperature reservoir (HTR), later using a heat engine cycle to reverse the process. A key component of the PTES system, the heat pump compressor, represents a significant driver to the cost, performance and operating characteristics of the PTES system. For grid-scale charging (>100 MW), traditional compressor scaling charts indicate that the operating conditions needed would be best served by a multistage axial compressor. While frame gas turbine compressors at these power ratings exist and operate at higher pressure ratios than needed for the CO2 PTES system, the inlet pressure and fluid density of this application exceed experience values. A conceptual design of a large-scale CO2 axial compressor was completed, including mean-line estimates of the compressor performance at full power conditions. The results of the conceptual design were used to refine the PTES cycle design, and updated operating conditions provided for further aero design optimization. A roughly one third scale of the first three stages of the 100 MW compressor was designed, built, and tested at relevant PTES charging conditions. Results of this test program are compared against high-resolution computational fluid dynamics models.

Compressor Heat

Qualification of Digitized Legacy Fast Reactor Data

The Integral Fast Reactor (IFR) fuel compatibility test program (1984-1994) included a variety of fuel pin examinations conducted at the Hot Fuel Examination Facility (HFEF) and the Alpha-Gamma Hot Cell Facility (AGHCF). Hard copy data records of these examinations have been recovered, scanned, and preserved in PDF format. Many hard copy records are now qualified in accordance with an NRC-approved Quality Assurance Program Plan (QAPP), and there is an ongoing effort to qualify additional legacy records. This legacy fuel performance data is vital to support design and licensing of fast reactors with validation of state-of-the-art codes and advanced methods for design and analysis. Stakeholders can most easily utilize this data when the PDF scans have been converted into digital data tables. However, qualification of the scanned hard copy data does not qualify the digital data file resulting from the digitization of the data contained in the record; the subject matter expert (SME) must make a review of the digitized data table as well before it can be designated as qualified. This report outlines a peer review process to qualify the digital data file(s), typically in CSV format, corresponding to hard copy records in accordance with the existing QAPP.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Remembering Robert S. Fitzhugh, 1932-2007

Robert S. Fitzhugh, a Laboratory pioneer and mainstay of the Laboratory’s nuclear testing program, died January 7, 2007, just two days after celebrating his 85 th birthday. An engineer dedicated to craft, Fitz was one of the longest serving Laboratory employees and one of the most respected. His pension, because of his long tenure, was higher than his salary. Born January 5, 1922, in Philadelphia, Fitz graduated high school in 1939 and from Michigan State University with a BS in Electrical Engineering in June 1943. He enlisted in the United States Army in May 1943 and, after completing basic training, attended the University of Iowa as part of the Army Specialized Training Program. When the ASTP program was disbanded in early 1944, Fitz was sent to Columbia University as a laboratory technician and then on to Oak Ridge, where he worked on the thermal diffusion program. Fitz did not like Oak Ridge, describing the Zeppelin-like hanger he worked in as “a horrible place.”

99 GENERAL AND MISCELLANEOUS

Test Report for the Regulatory Testing of the Welded Isotek-SFC-W-3 Special Form Capsule

Two prototypes the welded ISOTEK-SFC-W-3 special form capsules (SFCs) of the same design were evaluated to determine if the requirements of Title 49, Code of Federal Regulations (CFR), Part 173.469, Tests for Special Form Class 7 (Radioactive) Materials, were met. The results of the special form tests are documented in this test report. This report describes the special form testing activities performed on the two welded ISOTEK-SFC-W-3 capsules. The test units were designated as TU-1 and TU-2. TU-1 was subjected to leak testing, percussion testing, and impact testing. TU-1 was leak tested using the leak rate test specified in 49 CFR 173.469(a)(4)(i). The impact test on TU-1 was conducted according to the requirements in 49 CFR 173.469 (b)(1). The percussion test that was carried out on TU-1 was conducted in accordance with 49 CFR 173.469 (b)(2). TU-2 was subjected to a leak rate test as specified in 173.469(a)(4)(i) and a heat test as specified in 49 CFR 173.469(b)(4). Each test unit was leak tested before and after these respective tests. The leak rate tests performed were helium back-pressure tests and bubble tests, as specified in American National Standards Institute (ANSI) N14.5-2014. The measured leak rates were converted to standard condition leak rates as specified in American Society for Testing and Measurement (ASTM) E 493. The determined standardized leak rates obtained from the test and the calculations for all the test units met the requirements for special form certification. The testing was performed under the direction of the Oak Ridge National Laboratory (ORNL) Package Testing Program (PTP).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Storage Field Development Plan: One Earth Energy

This Storage Field Development plan presents the Storage Complex characterization results, construction, monitoring, and operational plans, and costs associated with the proposed One Earth Sequestration Carbon Capture and Storage (OES-CCS) site in McLean County, Illinois, near Gibson City. The proposed storage complex, known as the Mt. Simon Storage Complex, comprises the Cambrian Mt. Simon Sandstone reservoir and the primary seal, the Cambrian Eau Claire Formation. The lowermost Underground Source of Drinking Water (USDW) identified for the site is the Ordovician St. Peter Sandstone. Geologic characterization of the Mt. Simon Storage Complex at the OES-CCS site was performed by the Illinois Storage Corridor CarbonSAFE Phase III project, which also prepared and submitted three UIC Class VI applications to construct three injection wells; the permit applications were submitted and are in the federal EPA review process. A characterization well, OEE #1, was drilled to collect site-specific data. These data were analyzed and used to develop the UIC Class VI applications. The OEE #1 well will be converted to an in-zone monitoring (IZM) well for the injection phase. The proposed buildout for the OES-CCS site includes (1) three injection wells (OES #1, OES #2, and OES #3), (2) two IZM wells, (3) two above confining zone (ACZ) monitoring wells, one of which will be used to monitor the lowermost USDW, (4) capture and compression facilities, and (5) transportation facilities, i.e., pipelines. A pre-operational testing program was proposed in the Class VI permit application and will be employed at the site pending approval. Additional pre-injection (baseline), syn-injection, and post-injection monitoring and site care procedures will be followed by OES to ensure that injection activities are protective of human health and the environment. Injection is scheduled to begin in 2025, distributed across the three injection wells in accordance with the permit operating conditions. One Earth Sequestration intends to inject up to 90 million tonnes of CO 2 over a period of approximately 20 years. Injection will begin at approximately 0.5 million tonnes of CO 2 annually and ramp up to a maximum of 4.5 million tonnes annually. Daily injection rates are expected to range from 1,400 to 1,500 tonnes per day initially and reach a maximum of approximately 4,225 tonnes per day, depending on site geology and injectivity at each injection well location, and CO 2 availability. The costs associated with the OES-CCS project include pre-operational costs (e. g. additional seismic data acquisition and well drilling), capture and transportation facility and equipment costs, predicted field operating expenditures (OpEx), and decommissioning and post-injection site care (PISC) costs. The risks associated with project activities, such as site construction, injection operations, and verification of secure storage were evaluated, and mitigation strategies proposed to alleviate those risks.

09 BIOMASS FUELS