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At least 163 records · Page 9

Analysis of Ag/FEP Control Blanket Performance from Multiple Satellites

Published data reporting the change in solar absorptance as a function of time on orbit for certain satellites has been re-examined. The optical property change of metallized FEP as a function of total particulate radiation dose received by specific satellites has been estimated. Results tend to follow a common trend and a design curve has been constructed to estimate solar absorptance change as a function of radiation dose for metallized FEP at any altitude. Effects due to apparent contamination on several of the satellites are addressed and taken into account in determining property changes. Data from LDEF, ML-101, NavStar 1-5, NTS-2, the SCATHA experiment, and SOLRAD 11 are used as the basis of the design curve. A similar comparison is made between published atomic oxygen recession data from numerous Space Shuttle flights, a LEO experiment flown by Lockheed, and LDEF results. Variation of atomic oxygen recession rate of FEP as a function of exposure conditions is determined.

Pippin, H. G.↗

Plumbing Fixture for a Microfluidic Cartridge

A fixture has been devised for making the plumbing connections between a microfluidic device in a replaceable cartridge and an external fluidic system. The fixture includes a 0.25-in. (6.35-mm) thick steel plate, to which the cartridge is fastened by two 10-32 thumb screws. The plate holds one plumbing fitting for the inlet and one for the outlet of the microfluidic device. Each fitting includes a fused-silica tube of 0.006-in. (approx.0.15-mm) inside diameter within a fluorinated ethylene-propylene (FEP) tube of 0.0155-in. (approx.0.39-mm) inside diameter and 0.062- in. (approx.1.57-mm) outside diameter. The FEP tube is press-fit through the steel plate so that its exposed end is flush with the surface of the plate, and the silica tube protrudes 0.03 in. (approx.0.76 mm) from the plate/FEP-tube-end surface. The cartridge includes a glass cover plate that contains 0.06-mm-wide access ports. When the cartridge is fastened to the steel plate, the silica tubes become inserted through the access ports and into the body of the cartridge, while the ends of the FEP tubes become butted against the glass cover plate. An extremely tight seal is thereby made.

Francis, Kevin↗

Degradation of Multi-Layer Insulation (MLI) Retrieved from the Hubble Space Telescope

Multi-Layer Insulation (MLI) returned during Servicing Mission 4 are still being analyzed. Analysis has revealed degradation of optical, thermal, and mechanical properties, increased crystallinity, and reduction in fluorine/carbon ratio of aluminized-Teflon fluorinated ethylene propylene (Al-FEP) FEP. These material properties can be affected by high temperatures on orbit, increased radiation exposure, and in some cases contamination from materials in close proximity to the insulation on orbit. Preliminary results support conclusions of previous studies: areas of Al-FEP that received higher levels of solar exposure show more degradation (high temperatures and radiation combined).

Mohammed, Jelila S.↗

Flood Mapping in the Lower Mekong River Basin Using Daily MODIS Observations

In flat homogenous terrain such as in Cambodia and Vietnam, the monsoon season brings significant and consistent flooding between May and November. To monitor flooding in the Lower Mekong region, the near real-time NASA Flood Extent Product (NASA-FEP) was developed using seasonal normalized difference vegetation index (NDVI) differences from the 250 m resolution Moderate Resolution Imaging Spectroradiometer (MODIS) sensor compared to daily observations. The use of a percentage change interval classification relating to various stages of flooding reduces might be confusing to viewers or potential users, and therefore reducing the product usage. To increase the product usability through simplification, the classification intervals were compared with other commonly used change detection schemes to identify the change classification scheme that best delineates flooded areas. The percentage change method used in the NASA-FEP proved to be helpful in delineating flood boundaries compared to other change detection methods. The results of the accuracy assessments indicate that the −75% NDVI change interval can be reclassified to a descriptive 'flood' classification. A binary system was used to simplify the interpretation of the NASA-FEP by removing extraneous information from lower interval change classes.

Cambodia↗

BioNutrients-2: Improvements to the BioNutrients-1 Nutrient Production System

The BioNutrients (BN) project aims to develop an on-demand biological production system capable of rapid and safe delivery of multiple nutrients in single-use production packs for long-duration missions. The general concept of this system is to develop edible engineered microorganisms that produce nutrients for human consumption following long-term storage, revival, and growth. BN-1 is a five-year flight project currently on the International Space Station (ISS). It is testing the long-term storage of various microorganisms for the biomanufacturing of space-relevant compounds and validating the performance of the first generation of production packs. The BN-2 project expands the BN-1 flight project scope by introducing novel products, broadening the range of microbial food sources, and improving upon production pack hardware. We are optimizing the biomanufacturing platform for in situ production of yogurt and kefir on the ISS. BN-2 also will test engineered microorganisms, including a probiotic strain, to produce carotenoids or follistatin. To improve the feasibility of this technology for mission use, we transitioned from a hard-shell pack to a second-generation fluorinated ethylene propylene (FEP) bag. The single-use FEP bioreactor facilitates growth of target organisms in a contaminant free environment, while reducing mass and volume compared to the BN-1 hardware. These bioreactors will be employed for production of additional space-relevant products in the BN-2 project. On-orbit testing of FEP production packs will enable optimization of the platform for eventual flight use by the crew.

Natalie Ball↗

Degradation of Spacesuit Fabrics Exposed to Low Earth Orbit

Two different outer spacesuit fabrics were exposed to the wake-side low Earth orbit (LEO) environment for two years in order to determine their long term durability in the space environment. One sample each of the Teflon fabrics that covered Apollo spacesuits and the Orthofabric that covers the Space Shuttle and ISS suits was flown on the ISS as part of the ORMatE-III experiment. Results were compared with previous experiment on MISSE-7 which had similar exposure conditions on the ISS for 18 months, as well as β-cloth exposures on the LDEF for 5.7 years and an ISS battery ORU that was exposed for 8 years. Both ORMatE-III samples darkened considerably, probably due to UV and high energy particle radiation. Spectral analysis showed increased absorption in the shorter than 500 nm portion of the spectrum, but became more reflective in the 500 to 1800 nm region, and as a result, there was little change in the absorptance of the fabrics. Measurement of the 2.5 to 25 μm spectra indicated that there was only a small change in the emittance of the fabrics in the 250 to 700 K. Thus, although on long exposure the spacesuits are expected to darken to the eye, their thermal properties will likely remain nearly constant for the Apollo FEP fabric, and will degrade only slowly for the Orthofabric. Although these sample were too small to characterize their mechanical properties, degradation of the MISSE-7 samples as well as metalized FEP films on the Hubble Space Telescope thermal shields suggest that long term exposure of these fabrics to the space radiation environments will cause them to embrittle.

Atomic Oxygen↗

Understanding and Tuning Magnetism in Layered Ising‐Type Antiferromagnet FePSe 3 for Potential 2D Magnet

Abstract Recent developments in 2D magnetic materials have motivated the search for new van der Waals magnetic materials, especially Ising‐type magnets with strong magnetic anisotropy. Fe‐based M P X 3 ( M = transition metal, X = chalcogen) compounds such as FePS 3 and FePSe 3 both exhibit an Ising‐type magnetic order, but FePSe 3 receives much less attention compared to FePS 3 . This work focuses on establishing the strategy to engineer magnetic anisotropy and exchange interactions in this less‐explored compound. Through chalcogen and metal substitutions, the magnetic anisotropy is found to be immune against S substitution for Se whereas tunable only with heavy Mn substitution for Fe. In particular, Mn substitution leads to a continuous rotation of magnetic moments from the out‐of‐plane direction toward the in‐plane. Furthermore, the magnetic ordering temperature displays non‐monotonic doping dependence for both chalcogen and metal substitutions but due to different mechanisms. These findings provide deeper insight into the Ising‐type magnetism in this important van der Waals material, shedding light on the study of other Ising‐type magnetic systems as well as discovering novel 2D magnets for potential applications in spintronics.

2D magnet↗

Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2

SARS-CoV and SARS-CoV-2 bind to the human ACE2 receptor in practically identical conformations, although several residues of the receptor-binding domain (RBD) differ between them. Herein, we have used molecular dynamics (MD) simulations, machine learning (ML), and free-energy perturbation (FEP) calculations to elucidate the differences in binding by the two viruses. Although only subtle differences were observed from the initial MD simulations of the two RBD–ACE2 complexes, ML identified the individual residues with the most distinctive ACE2 interactions, many of which have been highlighted in previous experimental studies. FEP calculations quantified the corresponding differences in binding free energies to ACE2, and examination of MD trajectories provided structural explanations for these differences. Lastly, the energetics of emerging SARS-CoV-2 mutations were studied, showing that the affinity of the RBD for ACE2 is increased by N501Y and E484K mutations but is slightly decreased by K417N.

60 APPLIED LIFE SCIENCES↗

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

Starting from our previous finding of 14 known drugs as inhibitors of the main protease (M pro ) of SARS-CoV-2, the virus responsible for COVID-19, we have redesigned the weak hit perampanel to yield multiple noncovalent, nonpeptidic inhibitors with ca. 20 nM IC 50 values in a kinetic assay. Free-energy perturbation (FEP) calculations for M pro -ligand complexes provided valuable guidance on beneficial modifications that rapidly delivered the potent analogues. The design efforts were confirmed and augmented by determination of high-resolution X-ray crystal structures for five analogues bound to M pro . Results of cell-based antiviral assays further demonstrated the potential of the compounds for treatment of COVID-19. In addition to the possible therapeutic significance, the work clearly demonstrates the power of computational chemistry for drug discovery, especially FEP-guided lead optimization.

99 GENERAL AND MISCELLANEOUS↗

Systematic determination of a material’s magnetic ground state from first principles

Abstract We present a self-consistent method based on first-principles calculations to determine the magnetic ground state of materials, regardless of their dimensionality. Our methodology is founded on satisfying the stability conditions derived from the linear spin wave theory (LSWT) by optimizing the magnetic structure iteratively. We demonstrate the effectiveness of our method by successfully predicting the experimental magnetic structures of NiO, FePS 3 , FeP, MnF 2 , FeCl 2 , and CuO. In each case, we compared our results with available experimental data and existing theoretical calculations reported in the literature. Finally, we discuss the validity of the method and the possible extensions.

Chemistry↗

Assessing the Consequences of Postclosure Criticality in Spent Nuclear Fuel

The U.S. Department of Energy is funding research into studying the consequences of postclosure criticality on the performance of a generic repository by (1) identifying the features, events, and processes (FEPs) that need to be considered in such an analysis, (2) developing the tools needed to model the relevant FEPs in a postclosure performance assessment, and (3) conducting analyses both with and without the occurrence of a postclosure criticality and comparing the results. Here, this paper describes progress in this area of research and presents the results to date of analyzing the consequences of a postulated steady-state criticality in a hypothetical saturated shale repository. Preliminary results indicate that postclosure criticality would not affect repository performance.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Crystalline Disposal R&D at LBNL: FY20 Progress Report

Within the Spent Fuel & Waste Science and Technology (SFWST) Program, research work continues further with the goal to better understand long-term performance of disposal systems in three main geologic rock types: clay/shale, salt, and crystalline rock. This report documents LBNL’s research activities related to investigations of crystalline host rock according to the scope of two work packages: SF-20LB01030207 “Crystalline International Collaborations – LBNL,” and SF-20LB01030203 “Crystalline Disposal R&D – LBNL.” These research activities correspond are related to key Features, Events, and Processes (FEPs), ranked in importance from medium to high, as listed in Table 7 of the Used Fuel Disposition Campaign Disposal Research and Development Roadmap (FCR&D-USED-2011-000065 REV0) (Nutt, 2011). Specifically, these research activities address FEP 2.2.01, Excavation Disturbed Zone (EZD). The results of these research activities provide important insights into understanding and predicting flow and transport processes that could occur in low-permeability crystalline rocks, in which fractures might serve as main conduits for fluid flow and radionuclide transport. The evolution of the EDZ during the excavation of the tunnel as well as the evolution of microcrack growth within the EDZ after the emplacement of backfill are critical for predicting the long- term behavior of the EDZ. A number of factors including stress, temperature, water activity, capillary pressure, chemistry, and mineralogy can affect the rock evolution, which require advanced experimental tools to study it.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Post-closure Nuclear Criticality Safety Evaluations for Disposition of Criticality Control Overpacks at the Waste Isolation Pilot Plant

The Waste Isolation Pilot Plant (WIPP) is a geological repository in southern New Mexico that provides for disposal of transuranic (TRU) wastes from atomic energy defense activities. The Sandia National Laboratories (Sandia) Report, Consideration of Nuclear Criticality When Disposing of Transuranic Waste at the Waste Isolation Pilot Plant, addresses nuclear criticality safety based on the projected inventory characteristics for the initial compliance certification application of WIPP in 1996. As the inventory, waste forms, and disposal package designs change, revised or new analyses are necessary to demonstrate acceptability for these configurations within the WIPP safety basis and compliance with 10,000-year post-closure standards of the US Environmental Protection Agency (EPA). Saylor and Scaglione evaluated criticality control overpacks (CCOs) in 2017 based on conservative assumptions for post-closure repository structural conditions with resulting effects on containers and container spacing, The Saylor and Scaglione evaluation of CCOs addressed a single waste configuration that represents the Surplus Plutonium Disposition Program’s dilute and dispose waste form and composition. This initial CCO study demonstrated that 50 grams of boron carbide (B 4 C) per CCO is sufficient to ensure post-closure criticality safety based on a well-mixed waste composition, and Oak Ridge National Laboratory (ORNL) subsequently determined that this amount of B 4 C does not require constraints on moisture or plastic present as moderator. The Saylor and Scaglione analysis conservatively assumes repository room closure that eliminates all space between fissile gram equivalent (FGE) 239 Pu masses. The close-packed array was selected based on limited availability of repository salt creep modeling results at that time. In 2019, Brickner provided additional evaluations for pipe overpack containers (POCs), building on the conservative basis provided by Saylor and Scaglione. Brickner’s 2019 analysis made use of new geomechanical data for post-closure spacing that rely on advances in repository modeling as documented in the work by Reedlunn and Bean. This current CCO evaluation for generic waste materials expands on earlier work performed at ORNL and includes evaluation of CCOs across a much broader range of possible waste compositions and geometries. This evaluation is intended to provide input for the required feature, event and process (FEP) screening to determine if post-closure criticality must be included as an event in the 10,000-year regulatory evaluation. As such, the approach to modeling post-closure criticality presented in this report has been coordinated with the Sandia team responsible for FEP screening. The resulting analysis supports disposition of fissile materials in the CCO containing up to 380 FGE 239 Pu and expands conditions acceptable for disposal of fissile material in CCOs. This evaluation builds on the methodology of Saylor and Scaglione and Brickner, using the most recently available geomechanical data for CCO spacing under salt creep compaction scenarios provided by Reedlunn and Bean. The broad range of fissile material configurations analyzed in this report are intended to account for configurations that may occur during the post-closure disposal time period, and it also includes waste configurations that are not physically possible to support analysis of conditions that influence neutron fluence.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DECOVALEX-2023: Task F2 Salt Final Report

The subject of Task F of DECOVALEX-2023 concerns performance assessment modelling of radioactive waste disposal in deep mined repositories. The primary objectives of Task F are to build confidence in the models, methods, and software used for performance assessment (PA) of deep geologic nuclear waste repositories, and/or to bring to the fore additional research and development needed to improve PA methodologies. In Task F2- (salt), these objectives have been accomplished through staged development and comparison of the models and methods used by participating teams in their PA frameworks. Coupled-process submodels and deterministic simulations of the entire PA model for a reference scenario for waste disposal in domal salt have been conducted. The task specification has been updated continuously since the initiation of the project to reflect the staged development of the conceptual repository model and performance metrics. Thermal, hydrological, mechanical, and chemical properties of individual components of the engineered and natural system were chosen for relevance by participating teams. The salt reference case system was characterized using data and measurements collected at relevant underground research laboratories (URLs), field sites, and simulation results from teams with specialized modelling capability. Participating teams made a wide range of model assumptions from compartmentalized networks to full 3D models of the salt formation. No single contributed model includes full-fidelity representation of all the features, events, and processes (FEPs) detailed in the task specification, but almost all features and processes are represented in at least one model. Despite differences in the modelling strategies developed by participating teams, all models indicate that salt compaction and radionuclide diffusion are key processes in the repository, and for the FEPs and model scenario considered, little of the disposed radionuclides will migrate beyond the repository seal over the 100,000 year simulations. In general, the model output quantities have the largest differences over the short term and near the waste. The models tend to be more similar further from waste and at later time. Disparities between the models are believed to be due to differing simplifications from the task specification, some of which are chosen simplifications to reduce complexity, and some are restrictions imposed by the modelling tools. A second round of this task has been accepted for DECOVALEX-2027 in conjunction with Task F1 on crystalline PA modelling. The future round includes waste package heating, improved modelling of salt creep closure, additional comparisons of coupled-process sub-models, and the impact of repository engineering design on radionuclide migration in the repository. Participants will also propose and finalize a set of uncertain inputs for the reference case simulations, propagate these uncertainties in a set of realizations, and conduct sensitivity analyses on the simulation results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Synthesis and Crystal Structures of Alkali (Na, Rb, Cs) Iron Phosphate Crystals

Three alkali-containing diphosphate crystals of A FeP 2 O 7 (A = Na, Rb, Cs) were synthesized through melt-crystallization. The crystal structures were determined using single-crystal X-ray diffraction (XRD) data. The synthesized diphosphates crystallized within the P 2 1 /c space group, and the structural parameters were compared to literature data of other A FeP 2 O 7 crystals within the P 2 1 /c space group.

36 MATERIALS SCIENCE↗

Investigation of space stable thermal control coating properties

A capability to study the nuclear magnetic resonance of spacecraft thermal control coating has been built utilizing an electromagnet and V-series and Wl-series electronics. The electronics associated with the electromagnet had to be modified to make it compatible with the resonance measuring system. Resonance measurements have been performed on ZnO, Zn2TiO4 and FEP Teflon. The failure to observe resonance in ZnO and Zn2TiO4 has been theoretically explained. The linewidth and second moment measurements on ultraviolet irradiated FEP Teflon showed that there was no measurable degradation of the material due to short term irradiation.

Mookherji, T.↗

Measured current drainage through holes in various dielectrics up to 2 kilovolts in a dilute plasma

The electron current drained from a plasma through approximately 0.05 cm diameter holes in eight possible space applicable dielectrics placed on a probe biased at voltages up to 2000 V dc have been determined both theoretically and experimentally. The dielectrics tested were Parylene C and N, Teflon FEP type C, Teflon TFE, Nomex, quartz 7940 Corning Glass, Mylar A, and Kapton H polymide film. A Laplace field was used to predict an upper limit for the drainage current. The measured current was less than the computed current for quartz, Teflon FEP, and the 0.0123 cm thick sample of Parylene N for all voltages tested. The drainage current through the other dielectrics became equal to or greater than the computed current at a voltage below 2000 V. The magnitudes of the currents were between 0.1 and 10 microamperes for most of the dielectrics.

Grier, N. T.↗

Evaluation of advanced bladder technology

Research conducted during this period is reported. Studies presented include: (1) diffusion and permeation of CO2, O2, N2, and NO2 through polytetra fluoroethylene; (2) diffusion, permeation and solubility of simple gases (CO2, O2, N2, CH4, C2H6, C3H8, and C2H4) through a copolymer of hexafluoro propylene and tetrafluoro ethylene (FEP); (3) viscous flow and diffusion of gases throug small apertures; (4) diffusion and permeation of O2, N2, CO2, CH4, C2H6, and C3H8 through nitroso rubber; and (5) results of gas transport studies with carborane siloxane, nitroso rubber, silicone membrane, krytox coating on teflon, and FEP coated glass cloth. Publications generated under this program are listed.

Christensen, M. V.↗