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DOE OSTI2014

Results of stainless steel canister corrosion studies and environmental sample investigations

This progress report describes work being done at Sandia National Laboratories (SNL) to assess the localized corrosion performance of container/cask materials used in the interim storage of used nuclear fuel. The work involves both characterization of the potential physical and chemical environment on the surface of the storage canisters and how it might evolve through time, and testing to evaluate performance of the canister materials under anticipated storage conditions. To evaluate the potential environment on the surface of the canisters, SNL is working with the Electric Power Research Institute (EPRI) to collect and analyze dust samples from the surface of in-service SNF storage canisters. In FY 13, SNL analyzed samples from the Calvert Cliffs Independent Spent Fuel Storage Installation (ISFSI); here, results are presented for samples collected from two additional near-marine ISFSI sites, Hope Creek NJ, and Diablo Canyon CA. The Hope Creek site is located on the shores of the Delaware River within the tidal zone; the water is brackish and wave action is normally minor. The Diablo Canyon site is located on a rocky Pacific Ocean shoreline with breaking waves. Two types of samples were collected: SaltSmart™ samples, which leach the soluble salts from a known surface area of the canister, and dry pad samples, which collected a surface salt and dust using a swipe method with a mildly abrasive ScotchBrite™ pad. The dry samples were used to characterize the mineralogy and texture of the soluble and insoluble components in the dust via microanalytical techniques, including mapping X-ray Fluorescence spectroscopy and Scanning Electron Microscopy. For both Hope Creek and Diablo Canyon canisters, dust loadings were much higher on the flat upper surfaces of the canisters than on the vertical sides. Maximum dust sizes collected at both sites were slightly larger than 20 μm, but Phragmites grass seeds ~1 mm in size, were observed on the tops of the Hope Creek canisters. At both sites, the surface dust could be divided into fractions generated by manufacturing processes and by natural processes. The fraction from manufacturing processes consisted of variably-oxidized angular and spherical particles of stainless steel and iron, generated by machining and welding/cutting processes, respectively. Dust from natural sources consisted largely of detrital quartz and aluminosilicates (feldspars and clays) at both sites. At Hope Creek, soluble salts were dominated by sulfates and nitrates, mostly of calcium. Chloride was a trace component and the only chloride mineral observed by SEM was NaCl. Chloride surface loads measured by the Saltsmart™ sensors were very low, less than 60 mg m –2 on the canister top, and less than 10 mg m –2 on the canister sides. At Diablo Canyon, sea-salt aggregates of NaCl and Mg-SO 4 , with minor K and Ca, were abundant in the dust, in some cases dominating the observed dust assemblage. Measured Saltsmart™ chloride surface loads were very low (<5 mg m –2 ); however, high canister surface temperatures damaged the Saltsmart™ sensors, and, in view of the SEM observations of abundant sea-salts on the package surfaces, the measured surface loads may not be valid. Moreover, the more heavily-loaded canister tops at Diablo Canyon were not sampled with the Saltsmart™ sensors. The observed low surface loads do not preclude chloride-induced stress corrosion cracking (CISCC) at either site, because (1) the measured data may not be valid for the Diablo Canyon canisters; (2) the surface coverage was not complete (for instance, the 45º offset between the outlet and inlet vents means that near-inlet areas, likely to have heavier dust and salt loads, were not sampled); and (3) CISCC has been experimentally been observed at salt loads as low as 5-8 mg/m 2 . Experimental efforts at SNL to assess corrosion of interim storage canister materials include three tasks in FY14. First, a full-diameter canister mockup, made using materials and techniques identical to those used to make interim storage canisters, was designed and ordered from Ranor Inc., a cask vendor for Areva/TN. The mockup will be delivered prior to the end of FY14, and will be used for evaluating weld residual stresses and degrees of sensitization for typical interim storage canister welds. Following weld characterization, the mockup will be sectioned and provided to participating organizations for corrosion testing purposes. A test plan is being developed for these efforts. In a second task, experimental work was carried out to evaluate crevice corrosion of 304SS in the presence of limited reactants, as would be present on a dustcovered storage canister. This work tests the theory that limited salt loads will limit corrosion penetration over time, and is a continuation of work carried out in FY13. Laser confocal microscopy was utilized to assess the volume and depth of corrosion pits formed during the crevice corrosion tests. Results indicate that for the duration of the current experiments (100 days), no stifling of corrosion occurred due to limitations in the amount of reactants present at three different salt loadings. Finally, work has been carried out this year perfecting an instrument for depositing sea-salts onto metal surfaces for atmospheric corrosion testing purposes. The system uses an X-Y plotter system with a commercial airbrush, and deposition is monitored with a quartz crystal microbalance. The system is capable of depositing very even salt loadings, even at very low total deposition rates.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2014

Linearity for Ca2+-Doped CeBr3 Scintillating Materials

The National Security Technologies, LLC, Remote Sensing Laboratory (RSL) developed an aliovalently calcium-doped cerium tribromide (CeBr3:Ca2+) crystal with a FWHM resolution of 3.2% at the 137Cs 662 keV gamma energy. RSL completed a crystal assessment and Sandia National Laboratories calculated the predictive performance and physical characteristics using proven density functional theory (DFT) formalism. Results are reported for the work done to map the detector performance, characteristics, calcium doping concentration, and crystal strength. Preliminary scintillation measurements for this aliovalently calcium-doped CeBr3 scintillator exhibit a slight blue shift in fluorescence emission at 371 nm excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were investigated using the DFT within generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function of photons per unit energy, were calculated. Specifically, we report excellent linearity with the aliovalent CeBr3:Ca2+ crystal. Proportionality of light yield is one area of performance in which Ce-doped and Ce-based lanthanide halides excel. Maintaining proportionality is the key to producing a strong, high-performance scintillator. Relative light yield proportionality was measured for both doped and undoped samples of CeBr3 to ensure no loss in performance was incurred by doping. The light output and proportionality, however, appear to be similar to CeBr3. There was a reduced yield at low energy. Relative light yield proportionality measurements suggest that dopants do not significantly affect proportionality at higher energies. RSL completed additional testing and evaluation of the new crystal as well as the assessment of benchmarking spectroscopy. Results, which present energy resolution as a function of energy, are summarized. Typical spectroscopy results using a 137Cs radiation source are shown for our crystallites with diameters <1 cm. We obtain 3.2% before packing the crystallite in a sealed detector container and 4.5% for the packaged crystallite. More spectra were obtained for 241Am, 60Co, 228Th, and background to exemplify CeBr3:Ca2+ over a broader energy range.

aliovalent substitution↗

DOE OSTI2012

Model Based Optimal Sensor Network Design for Condition Monitoring in an IGCC Plant

This report summarizes the achievements and final results of this program. The objective of this program is to develop a general model-based sensor network design methodology and tools to address key issues in the design of an optimal sensor network configuration: the type, location and number of sensors used in a network, for online condition monitoring. In particular, the focus in this work is to develop software tools for optimal sensor placement (OSP) and use these tools to design optimal sensor network configuration for online condition monitoring of gasifier refractory wear and radiant syngas cooler (RSC) fouling. The methodology developed will be applicable to sensing system design for online condition monitoring for broad range of applications. The overall approach consists of (i) defining condition monitoring requirement in terms of OSP and mapping these requirements in mathematical terms for OSP algorithm, (ii) analyzing trade-off of alternate OSP algorithms, down selecting the most relevant ones and developing them for IGCC applications (iii) enhancing the gasifier and RSC models as required by OSP algorithms, (iv) applying the developed OSP algorithm to design the optimal sensor network required for the condition monitoring of an IGCC gasifier refractory and RSC fouling. Two key requirements for OSP for condition monitoring are desired precision for the monitoring variables (e.g. refractory wear) and reliability of the proposed sensor network in the presence of expected sensor failures. The OSP problem is naturally posed within a Kalman filtering approach as an integer programming problem where the key requirements of precision and reliability are imposed as constraints. The optimization is performed over the overall network cost. Based on extensive literature survey two formulations were identified as being relevant to OSP for condition monitoring; one based on LMI formulation and the other being standard INLP formulation. Various algorithms to solve these two formulations were developed and validated. For a given OSP problem the computation efficiency largely depends on the “size” of the problem. Initially a simplified 1-D gasifier model assuming axial and azimuthal symmetry was used to test out various OSP algorithms. Finally these algorithms were used to design the optimal sensor network for condition monitoring of IGCC gasifier refractory wear and RSC fouling. The sensors type and locations obtained as solution to the OSP problem were validated using model based sensing approach. The OSP algorithm has been developed in a modular form and has been packaged as a software tool for OSP design where a designer can explore various OSP design algorithm is a user friendly way. The OSP software tool is implemented in Matlab/Simulink© in-house. The tool also uses few optimization routines that are freely available on World Wide Web. In addition a modular Extended Kalman Filter (EKF) block has also been developed in Matlab/Simulink© which can be utilized for model based sensing of important process variables that are not directly measured through combining the online sensors with model based estimation once the hardware sensor and their locations has been finalized. The OSP algorithm details and the results of applying these algorithms to obtain optimal sensor location for condition monitoring of gasifier refractory wear and RSC fouling profile are summarized in this final report.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2019

EGS Collab: 3D Geophysical Model Around the Sanford Underground Research Facility

This package contains data associated with a proceedings paper (linked below) submitted to the 44th Workshop on Geothermal Reservoir Engineering. The Geophysical Model text file contains density, P- and S-wave seismic speeds on a 3D grid. The file has six columns and provides latitude (degree), longitude (degree), depth (km), P-wave speed (km/s), S-wave speed (km/s), and density (g/cm^3) at each grid point. The Interactive Geophysical Model API file is an interactive visualization of the 3D geophysical model. The visualization allows users to view depth slices and vertical profiles of the model side by side. The depth of the slices and the location of the profile can be changed. Reference: Chai, C., Maceira, M., Santos-Villalobos, H. J., and EGS Collab team, 2019, Subsurface Seismic Structure around the Sanford Underground Research Facility, in PROCEEDINGS, 44th Workshop on Geothermal Reservoir Engineering, edited, Stanford University, Stanford, California.

15 GEOTHERMAL ENERGY↗

NASA NTRS2008

Standardizing Interfaces for External Access to Data and Processing for the NASA Ozone Product Evaluation and Test Element (PEATE)

NASA's traditional science data processing systems have focused on specific missions, and providing data access, processing and services to the funded science teams of those specific missions. Recently NASA has been modifying this stance, changing the focus from Missions to Measurements. Where a specific Mission has a discrete beginning and end, the Measurement considers long term data continuity across multiple missions. Total Column Ozone, a critical measurement of atmospheric composition, has been monitored for'decades on a series of Total Ozone Mapping Spectrometer (TOMS) instruments. Some important European missions also monitor ozone, including the Global Ozone Monitoring Experiment (GOME) and SCIAMACHY. With the U.S.IEuropean cooperative launch of the Dutch Ozone Monitoring Instrument (OMI) on NASA Aura satellite, and the GOME-2 instrumental on MetOp, the ozone monitoring record has been further extended. In conjunction with the U.S. Department of Defense (DoD) and the National Oceanic and Atmospheric Administration (NOAA), NASA is now preparing to evaluate data and algorithms for the next generation Ozone Mapping and Profiler Suite (OMPS) which will launch on the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) in 2010. NASA is constructing the Science Data Segment (SDS) which is comprised of several elements to evaluate the various NPP data products and algorithms. The NPP SDS Ozone Product Evaluation and Test Element (PEATE) will build on the heritage of the TOMS and OM1 mission based processing systems. The overall measurement based system that will encompass these efforts is the Atmospheric Composition Processing System (ACPS). We have extended the system to include access to publically available data sets from other instruments where feasible, including non-NASA missions as appropriate. The heritage system was largely monolithic providing a very controlled processing flow from data.ingest of satellite data to the ultimate archive of specific operational data products. The ACPS allows more open access with standard protocols including HTTP, SOAPIXML, RSS and various REST incarnations. External entities can be granted access to various modules within the system, including an extended data archive, metadata searching, production planning and processing. Data access is provided with very fine grained access control. It is possible to easily designate certain datasets as being available to the public, or restricted to groups of researchers, or limited strictly to the originator. This can be used, for example, to release one's best validated data to the public, but restrict the "new version" of data processed with a new, unproven algorithm until it is ready. Similarly, the system can provide access to algorithms, both as modifiable source code (where possible) and fully integrated executable Algorithm Plugin Packages (APPs). This enables researchers to download publically released versions of the processing algorithms and easily reproduce the processing remotely, while interacting with the ACPS. The algorithms can be modified allowing better experimentation and rapid improvement. The modified algorithms can be easily integrated back into the production system for large scale bulk processing to evaluate improvements. The system includes complete provenance tracking of algorithms, data and the entire processing environment. The origin of any data or algorithms is recorded and the entire history of the processing chains are stored such that a researcher can understand the entire data flow. Provenance is captured in a form suitable for the system to guarantee scientific reproducability of any data product it distributes even in cases where the physical data products themselves have been deleted due to space constraints. We are currently working on Semantic Web ontologies for representing the various provenance information. A new web site focusing on consolidating informaon about the measurement, processing system, and data access has been established to encourage interaction with the overall scientific community. We will describe the system, its data processing capabilities, and the methods the community can use to interact with the standard interfaces of the system.

Tilmes, Curt A.↗

DOE OSTI2017

Warthog: Coupling Status Update

The Warthog code was developed to couple codes that are developed in both the Multi-Physics Object-Oriented Simulation Environment (MOOSE) from Idaho National Laboratory (INL) and SHARP from Argonne National Laboratory (ANL). The initial phase of this work, focused on coupling the neutronics code PROTEUS with the fuel performance code BISON. The main technical challenge involves mapping the power density solution determined by PROTEUS to the fuel in BISON. This presents a challenge since PROTEUS uses the MOAB mesh format, but BISON, like all other MOOSE codes, uses the libMesh format. When coupling the different codes, one must consider that Warthog is a light-weight MOOSE-based program that uses the Data Transfer Kit (DTK) to transfer data between the various mesh types. Users set up inputs for the codes they want to run, and then Warthog transfers the data between them. Currently Warthog supports XSProc from SCALE or the Sub-Group Application Programming Interface (SGAPI) in PROTEUS for generating cross sections. It supports arbitrary geometries using PROTEUS and BISON. DTK will transfer power densities and temperatures between the codes where the domains overlap. In the past fiscal year (FY), much work has gone into demonstrating two-way coupling for simple pin cells of various materials. XSProc was used to calculate the cross sections, which were then passed to PROTEUS in an external file. PROTEUS calculates the fission/power density, and Warthog uses DTK to pass this information to BISON, where it is used as the heat source. BISON then calculates the temperature profile of the pin cell and sends it back to XSProc to obtain the temperature corrected cross sections. This process is repeated until the convergence criteria (tolerance on BISON solve, or number of time steps) is reached. Models have been constructed and run for both uranium oxide and uranium silicide fuels. These models demonstrate a clear difference in power shape that is not accounted for in a stand-alone BISON run. Future work involves improving the user interface (UI), likely through integration with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench. Furthermore, automating the input creation would ease the user experience. The next priority is to continue coupling the work with other codes in the SHARP package. Efforts on other projects include work to couple the Nek5000 thermo-hydraulics code to MOOSE, but this is in the preliminary stages.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2012

Filling-in of Far-Red and Near-Infrared Solar Lines by Terrestrial and Atmospheric Effects: Simulations and Space-Based Observations from SCIAMACHY and GOSAT

Mapping of terrestrial vegetation fluorescence from space is of interest because it can potentially provide global information on the functional status of vegetation including light use efficiency and global primary productivity that can be used for global carbon cycle modeling. Space-based measurement of solar-induced chlorophyll fluorescence is challenging, because its signal is small as compared with the much larger reflectance signal. Ground- and aircraft-based approaches have made use of the dark and spectrally-wide O2-A ( approx 760 nm) and O2-B (approx 690 nm) atmospheric features to detect the weak fluorescence signal. More recently, Joiner et al. and Frankenberg et al. focused on longer-wavelength solar Fraunhofer lines that can be observed with space-based instruments such as the currently operational GOSAT. They showed that fluorescence can be detected using Fraunhofer lines away from the far-red chlorophyll-a fluorescence peak even when the surface is relatively bright. Here, we build on that work by developing methodology to correct for instrumental artifacts that produce false filling-in signals that can bias fluorescence retrievals. We also examine other potential sources of filling-in at far-red and NIR wavelengths. Another objective is to explore the possibility of making fluorescence measurements from space with lower spectral resolution instrumentation than the GOSAT interferometer. We focus on the 866nm Ca II solar Fraunhofer line. Very few laboratory and ground-based measurements of vegetation fluorescence have been reported at wavelengths longer than 800 nm. Some results of fluorescence measurements of corn leaves acquired in the laboratory using polychromatic excitation at wavelengths shorter than 665nm show that at 866 nm, the measured signal is of the order of 0.1-0.2 mW/sq m/nm/sr. In this work, we use the following satellite observations: We use SCIAMACHY channel 5 in nadir mode that covers wavelengths between 773 and 1063nm at a spectral resolution of 0.54 nm. GOSAT has two instrument packages: the Thermal And Near-infrared Sensor for carbon Observation-Fourier Transform Spectrometer (TANSO-FTS) and the Cloud and Aerosol Imager (CAI). We use TANSO-FTS band 1, which extends from approximately 758 to 775nm and we use cloud fraction derived from the CAI. We compare satellite-derived fluorescence with the Enhanced Vegetation Index (EVI), an Aqua/MODIS-derived vegetation reflectance-based index that indicates relative greenness and is used to infer photosynthetic function.

Joiner, J.↗

NASA NTRS2012

Filling-in of Far-Red and Near-Infrared Solar Lines by Terrestrial and Atmospheric Effects: Simulations and Space-Based Observations from SCHIAMACHY and GOSAT

Mapping of terrestrial vegetation fluorescence from space is of interest because it can potentially provide global information on the functional status of vegetation including light use efficiency and global primary productivity that can be used for global carbon cycle modeling. Space-based measurement of solar-induced chlorophyll fluorescence is challenging, because its signal is small as compared with the much larger reflectance signal. Ground- and aircraft-based approaches have made use of the dark and spectrally-wide 02-A (approx 760 nm) and O2-B (approx 690 nm) atmospheric features to detect the weak fluorescence signal. More recently, Joiner et a1. and Frankenberg et a1. focused on longer-wavelength solar Fraunhofer lines that can be observed with space-based instruments such as the currently operational GOSAT. They showed that fluorescence can be detected using Fraunhofer lines away from the far-red chlorophyll-a fluorescence peak even when the surface is relatively bright. Here, we build on that work by developing methodology to correct for instrumental artifacts that produce false filling-in signals that can bias fluorescence retrievals. We also examine other potential sources of filling-in at far-red and NIR wavelengths. Another objective is to explore the possibility of making fluorescence measurements from space with lower spectral resolution instrumentation than the GOSAT interferometer. We focus on the 866 nm Ca II solar Fraunhofer line. Very few laboratory and ground-based measurements of vegetation fluorescence have been reported at wavelengths longer than 800 mn. Some results of fluorescence measurements of corn leaves acquired in the laboratory using polychromatic excitation at wavelengths shorter than 665 nm show that at 866 nm, the measured signal is of the order of 0.1-0.2 mw/sq m/nm/sr. In this work we use the following satellite observations: We use SCIAMACHY channel 5 in nadir mode that covers wavelengths between 773 and 1063 nm at a spectral resolution of 0.54 nm. GOSAT has two instrument packages: the Thermal And Near-infrared Sensor for carbon Observation-Fourier Transform Spectrometer (TANSO-FTS) and the Cloud and Aerosol Imager (CAI). We use TANSO-FTS band 1, which extends from approximately 758 to 775 mn and we use cloud fraction derived from the CAL We compare satellite-derived fluorescence with the Enhanced Vegetation Index (EVI), an Aqua/MODIS-derived vegetation reflectance-based index that indicates relative greenness and is used to infer photosynthetic function.

Joiner, J.↗

DOE OSTI2012

Transportation Package Seal Performance in Beyond Design Basis Thermal Exposures - 12472

The Nuclear Regulatory Commission (NRC) technical report, NUREG/CR-6886, 'Spent Fuel Transportation Package Response to the Baltimore Tunnel Fire Scenario', describes, in detail, an evaluation of the potential for a theoretical release of radioactive material from three different spent nuclear fuel (SNF) transportation packages, had they been exposed to the Baltimore tunnel fire that occurred in July of 2001. This evaluation determined the temperatures of various components of the packages, including the seals, using temperatures resulting from models of the Baltimore tunnel fire (as boundary conditions) and finite element models of the SNF packages. For two of the packages evaluated, the analyses indicated that the seals used would have exceeded their continuous-use rated service temperatures, meaning the release of radioactive material could not be ruled out with available information; However, for both of the packages evaluated, the analysis determined, by a bounding calculation, that the maximum potential release was well below the regulatory requirements for releases from a SNF package during the hypothetical accident condition (HAC) sequence of events in 10CFR Part 71. The NRC is investigating the performance of seals in SNF transportation packages exposed to fires that could exceed the HAC fire described in 10CFR Part 71, such as the Baltimore Tunnel Fire that occurred in 2001. The performance of package seals is important for determining the potential release of radioactive material from a package during a beyond-design-basis accident. The seals have lower temperature limits than other package components and are the containment barrier between the environment and the cask contents. The NRC Office of Nuclear Regulatory Research contracted the National Institute of Standards and Technology (NIST) to conduct small-scale thermal testing to obtain experimental data of the performance of seals during extreme temperature exposures. The experimental testing consisted of several small-scale pressure vessels fabricated with a modified ASME flange design and tested metallic and elastomeric seals, similar to those that might be used on an actual SNF transportation package. The vessels were heated in an electrical oven to temperatures as high as 800 deg. C (1472 deg. F), exceeding the rated temperatures of the seals in question. This paper will provide a summary of the testing conducted and present test results and conclusions. Fifteen metallic and elastomeric seal performance tests including two shakedowns were performed under beyond-design-basis thermal exposure conditions; twelve tests used metallic seals, two used ethylene-propylene seals, and one used a Teflon seal. Of the five repeat metallic-seal tests (Tests No.2, 3, 4, 8, and 9), leakage (decreasing vessel pressure) was observed in three of the tests (Tests No.3, 4, and 8) during the 9 h 800 deg. C (1472 deg. F) exposure. The times when the leakage occurred (the vessel pressure started to decrease) varied in the three tests performed. The two shakedown tests were conducted using a 30 min and 4 h exposure to 800 deg. C (1472 deg. F), respectively, and the seal appeared to hold vessel pressure. No leakage (unchanged vessel pressure within the pressure measurement uncertainty) was also observed in the two metallic seal tests that used 100 deg. C incremental heating from 427 deg. C (800 deg. F) to 627 deg. C (1160 deg. F) and from 427 deg. C (800 deg. F) to 727 deg. C (1340 deg. F), respectively, with at least 9 h exposure to each temperature increment. Three repeat metallic seal tests were also conducted at the seal maximum operating temperature of 427 deg. C (800 deg. F) for 9 h. The seal maintained vessel pressure within the measurement of the pressure transducer in all three tests. No leakage was observed in one ethylene-propylene seal tested at 300 deg. C (572 deg. F) for more than 20 hours; however, leakage was found in another ethylene-propylene seal tested at 450 deg. C (842 deg. F) for more than 20 hours (Test No.15). Leakage was also observed in the test (Test No.12) that used a TFE seal subject to 300 deg. C (572 deg. F) exposure. In these fifteen tests the temperature and time exposure variables were changed to map the performance of the metallic and polymeric seals at elevated temperatures beyond the rated operating temperatures. Both the metallic and polymeric seals were able to hold pressure even after leaks were detected and no catastrophic seal failure (i.e., a rapid release of pressure to atmospheric) occurred. Further testing on the polymeric seals would need to be performed to confirm the results in these tests.(authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Nucleosomes Shape DNA Polymorphism and Divergence

An estimated 80% of genomic DNA in eukaryotes is packaged as nucleosomes, which, together with the remaining interstitial linker regions, generate higher order chromatin structures. Nucleosome sequences isolated from diverse organisms exhibit ,10 bp periodic variations in AA, TT and GC dinucleotide frequencies. These sequence elements generate intrinsically curved DNA and help establish the histone-DNA interface. We investigated an important unanswered question concerning the interplay between chromatin organization and genome evolution: do the DNA sequence preferences inherent to the highly conserved histone core exert detectable natural selection on genomic divergence and polymorphism? To address this hypothesis, we isolated nucleosomal DNA sequences from Drosophila melanogaster embryos and examined the underlying genomic variation within and between species. We found that divergence along the D. melanogaster lineage is periodic across nucleosome regions with base changes following preferred nucleotides, providing new evidence for systematic evolutionary forces in the generation and maintenance of nucleosome-associated dinucleotide periodicities. Further, Single Nucleotide Polymorphism (SNP) frequency spectra show striking periodicities across nucleosomal regions, paralleling divergence patterns. Preferred alleles occur at higher frequencies in natural populations, consistent with a central role for natural selection. These patterns are stronger for nucleosomes in introns than in intergenic regions, suggesting selection is stronger in transcribed regions where nucleosomes undergo more displacement, remodeling and functional modification. In addition, we observe a large-scale (~180 bp) periodic enrichment of AA/TT dinucleotides associated with nucleosome occupancy, while GC dinucleotide frequency peaks in linker regions. Divergence and polymorphism data also support a role for natural selection in the generation and maintenance of these super-nucleosomal patterns. Our results demonstrate that nucleosome-associated sequence periodicities are under selective pressure, implying that structural interactions between nucleosomes and DNA sequence shape sequence evolution, particularly in introns.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Numerical Codes for the DESC-LSST Analysis Pipeline: Core Cosmology Library Standard Modules and Beyond wCDM Modules (Final Technical Report)

The overall objective of the project is to investigate and develop specific software modules and analysis components for the software pipeline of LSST Dark Energy Science Collaboration (DESC). Following the key projects of DESC Science Roadmap (SRM), we will write and test computer codes for the Core Cosmology Library (CCL) in order to complete its modules, functionalities, and interface to work with the analysis pipelines from the five science probes of DESC (parts of SRM deliverables CX4.2TJP, CX6.2CS). We will also code modules for CCL to test models beyond w-Cold-Dark-Matter (wCDM) and modification to gravity (MG). Interfaces for MG models will also be developed for the TJPCOSMO software which is the main pipeline of the Theory and Joint Probe (TJP) working group (deliverable TJP2.3). In order to use the full power of LSST data to constrain MG models, we will also work on constraints from nonlinear regime by running and analyzing MG N-Body simulations using a Parameterized-Post-Friedmann framework into the Gadget-2 simulation package (deliverable TJP2.2). Preliminary results for the simulations were obtained in the past. In collaboration with other DESC groups, we plan to make these simulations feedable to cosmic emulators that are practical for likelihood analyzes (deliverable TJP2.2, parts of CX6.2CS). We will also modify and integrate our current codes for consistency tests between data sets and probes into the pipeline (parts of deliverables CX8.2TJP, TJP2.3). We understand that other groups will contribute to some of these objectives but our team will focus and collaborate with others on the particular part of testing MG and models beyond wCDM and refine the DESC pipeline for this purpose. PI has been coordinating his work with the TJP and CS working groups and the DESC management team. PI is a full member of DESC since June 2013. He and his students have been contributing to LSST-DESC activities and work including TJP telecons, collaboration meetings, hack-weeks, and workshops. PI chaired or co-chaired sessions at collaboration meetings and hack-weeks about testing gravity and models beyond wCDM using LSST. He is coordinating the TJP2 projects for testing models beyond wCDM including the writing of DESC-research-note, development of code for pipeline, and N-Body simulations for MG and beyond wCDM models testable with LSST analyses. As stressed in the DESC white paper, SRM, and P5 report, one of the important questions in understanding cosmic acceleration and dark energy is to be able to distinguish whether the acceleration is due to a dark energy component in the universe or a modification to gravity. Answering these questions will have a significant impact on the question of cosmic acceleration and dark energy. The methods that we will use include analytical work, numerical code, and N-Body simulations. A first approach that that we will use consists of using growth rate parameters that enter the perturbed dynamics equations. These parameters take distinctive values for distinct gravity theories and have potential to distinguish between Dark Energy and Modified Gravity. The second method is to look for inconsistencies in Dark Energy parameter spaces using specific combinations of cosmological data sets. Our investigation addresses the Dark Energy problem that is relevant to the mission of the HEP program to understand how our universe works at its most fundamental level. It will allow us to make progress on the HEP mission to explore the nature of Dark Energy and the basic nature of space and time using future surveys such as LSST. The investigation supports the DOE HEP program Cosmic Frontier as it will contribute to the study and understanding of dark energy and fundamental properties of the universe. The investigation contributes directly to LSST-DESC key projects and their deliverables as described in the Science Road-map document to build analysis pipeline and to test dark energy and beyond wCDM models using LSST.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRSDate not supplied

Uncrewed Lunar Surface Operations and Support Activities

Sustained human presence on the surface of the Moon and future missions to Mars require increased independence from surface crews and Earth-based mission control to operate efficiently, safely, and reliably. The time for surface crews to perform tasks will be limited. Extravehicular activities by surface personnel are burdensome and time-consuming, even when a continuous human presence on the surface occurs. Identifying and balancing human/automation roles and tasks and infusing automation and autonomy practices early in a system’s lifecycle will be essential to achieve mission objectives. Among these objectives are attaining a sustained human presence, improving performance and mission effectiveness, reducing operations and maintenance (O&M) costs, and ensuring operations that are robust to communication delays. To achieve these objectives, an operational shift toward increased automation and autonomy with less reliance on humans is needed. Uncrewed lunar surface operations and support activities occur when surface crews are not present or are independent of surface crew timeline activities requiring no surface crew oversight or intervention. These uncrewed surface opportunities can also be planned to minimize crew workload that avoids routine maintenance and support tasks, thus maximizing crew exploration time. Uncrewed preparations such as staging and prepositioning equipment and materials before the crew arrives could improve crew task efficiency. Additional opportunities exist to conduct uncrewed science, exploration, and utilization. Uncrewed surface architecture functions can include science and exploration; habitation; launch and landing support; surface communication and navigation; surface power generation and distribution; human surface mobility; lifting, handling, manipulating; excavation, construction, and site preparation; logistics management; maintenance and repair; surface resource utilization; integrated site operations and shared support services (e.g., site scheduling/prioritization, dust mitigation/contamination control, and surface safety). Early robotic lunar surface campaigns will provide information on the availability of resources, such as oxygen and water, and demonstrate surface-based technologies. After the Artemis III human lunar return mission, a series of landers will deliver surface systems, cargo, supplies, science packages, spare parts, and commodities. A balance of crewed and uncrewed surface operations will enable a sustained lunar surface presence at the South Pole of the Moon at a site that will be known as the Artemis Base Camp (ABC). It is envisioned that base camp operations on and around the Moon will then help prepare for the mission durations and activities needed to support the first human mission to Mars. Before long-duration crew missions to the base camp can occur, the necessary surface infrastructure will be pre-deployed and verified operational. Surface assets will be teleoperated and remotely managed from Earth. Additionally, robotic and short-duration crewed missions to the ABC will ensure the site’s merit to achieve long-term science objectives, availability of usable resources, and that terrain, seasonal variations, and illumination conditions are acceptable. ABC will consist of different areas where specific functions and services are rendered, including: • Launch and Landing Area • Habitation Area • Power Production Area • Resource Areas Launch and Landing Area—The launch and landing area will support associated functions for the arrival and departure of vehicles, such as crewed landing and ascent and uncrewed cargo deliveries and offloading. It will evolve from an unimproved site at the beginning of the exploration campaign to a more sustainable landing and launch area that can support repeated arrivals and departures. Initial uncrewed Lunar Terrain Vehicle (LTV) surface operations may include emplacement of navigation beacons and communication equipment, real-time video and photography of landing/liftoff events, and element repositioning, such as portable utility power (PUP) (applicable for other landed assets at other areas). Site preparations, such as surface leveling, soil compaction, and berm/path construction, may be needed for a more sustainable launch and landing area capable of accommodating vehicles that are increasingly more reusable and reduce the effects of plume surface interactions and ejecta impacts on nearby surface assets. During the ABC missions, cargo and logistics will be delivered to the lunar surface via robotic cargo landers before the crew arrives. These shipments, which can arrive in pressurized logistics carriers, will deliver the logistics necessary to support a crewed mission and include items such as food, water, equipment spares, etc. Providing the capability to retrieve, offload, and transport the logistics closer to the ABC site before the arrival of the crew will increase the overall efficiency of crew operations once they arrive. In the sustained phase of exploration, other supporting services may be needed, such as lander propellant servicing, surface power services, commodity refreshes, and additional inspection, maintenance, and repair capabilities, to sustain a cadence of extended personnel stays and cargo arrivals and departures. Habitation Area—Uncrewed support to surface habitation could involve supporting activation and pre-entry operations of the habitat while the crew is in orbit at the Gateway outpost preparing for a surface landing. Surface Habitat (SH) uncrewed operations may include bringing the cabin environment to a habitable temperature and air mix and activating other critical crew support systems. Potential crop production uncrewed tasks in the SH could also include autonomous watering and tending. Additionally, when the crew departs, the SH enters dormancy for the long period of uncrewed operation. A logistical staging area could also be collocated near the SH. If so, staging operations for crew supplies, waste re-location, and recycling operations may be opportunities for uncrewed operations. Power Production Area—The Fission Surface Power (FSP) element and its supporting distribution equipment provide power to surface elements as needed across the ABC to supplement day-to-day operations and survive lunar nights. Uncrewed support of this power system includes any initial LTV-assisted deployments of cables and other distributed equipment, associated electrical connections, and system testing and activation operations. Robotically performing some inspections, maintenance, or repair tasks on the power distribution equipment could reduce the surface crew workload. Resource Area— Uncrewed resource prospecting, mapping, and characterizing possible resource sites is likely to be time-consuming and represents an opportunity for uncrewed operations between crewed missions. Uncrewed mobile equipment operations will be needed in the extreme environments of permanently shadowed locations where resource extractions occur. As In-Situ Resource Utilization (ISRU) pilot plant operations begin, uncrewed surface support activities with available mobile and portable assets (LTV, PUP, etc.) will better support these operations. Any produced commodities can be stored at a centralized storage location for future use. Also associated with these operations is the use of mobile robotic excavators for resource acquisition and robotic/autonomous regolith processing. The waste tailings generated during excavation and regolith processing would also need to be transported and deposited at a dedicated location. Surface assets will continue operating between crew visits to maintain surface capabilities, conduct lunar surface science, technology demonstrations, and public outreach opportunities. Additionally, certain sustaining tasks that would consume valuable crew time could be performed before crew arrival, or after their departure. This capability may offer more affordable options to construct, activate, test, and maintain a broad set of surface assets. Telerobotically operated human surface mobility systems, such as the LTV and Pressurized Rover (PR), can be utilized for various tasks. Surface environmental conditions pose a distinct challenge for all these activities. Surface illumination and localized shadows are one such factor. Night-survival operations could consist of thermal management, battery pre-charging, and load shedding. Some surface systems may hibernate through the night and then awake and continue nominal operations. Uncrewed mobile assets may use a more adaptive approach to optimize their power and operations; one method is to follow the sunlight. Night-survival operations may be initiated remotely by teleoperation, automated, or accomplished by supervised autonomous operation. The ability to pre-deploy and control remote assets in orbit or on Mars before the arrival of the mission crew is a key capability that can be simulated on the moon. The base camp provides a venue where these advanced operational concepts, technologies, and autonomous methods and techniques, including the incorporation of time delays to simulate Earth-Mars latency can be replicated to help buy down future Mars mission risks. This paper will examine the evolution of uncrewed lunar surface operations and support activities. It will also discuss the lunar surface environmental conditions (thermal, lighting, terrain, topography, communications) along with the challenges they pose on uncrewed surface operations, and the performance of these activities with limited to minimal human interaction and/or teleoperation. Since lunar missions include Mars mission analogs, such investigation provides the framework for future uncrewed Mars mission support.

Mark E Lewis↗