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X-Ray Spectrum of a Narrow-Line QSO

During the reporting period, seven papers using ASCA data, supported in whole or in part by this grant, were published or submitted to refereed journals. Their abstracts are given in this report, and the complete bibliographic references are listed in the Appendix. Titles include (1) A Broad-Band X-ray Study of the Geminga Pulsar; (2) ASCA Observations of PSR 1920+10 and PSR 0950+08; (3) X-ray and Optical Spectroscopy of IRAS 20181-2244: Not a Type 2 QSO, but a I Zw I Object; (4) Models for X-ray Emission from Isolated Pulsars; (5) Optical and X-ray Spectroscopy of 1E 0449.4-1823: Demise of the Original Type 2 QSO; (6) The ASCA Spectrum of the Broad-Line Radio Galaxy Pictor A: A Simple Power Law with No Fe Ka Line; and (7) ASCA Spectra of NGC 4388 and ESO 103-G35: Absorption, Reflection, and Variability in Intermediate Type Seyfert Galaxies.

Halpern, Jules P.↗

Isotopic Evidence for the Source and Fate of Phosphorus in Everglades Wetland Ecosystems

Phosphorus has historically been a limiting nutrient in the Florida Everglades. Increased P loading to the Everglades over the past several decades has led to significant changes in water quality and plant communities. Stormwater runoff that drains agricultural lands and enters the Water Conservation Areas (WCAs) are known to contain elevated levels of P, but the exact source of this P has not been fully determined. Here the results of an O isotope study of dissolved inorganic phosphate (DIP) in both polluted and relatively pristine (or reference) areas of the Everglades are reported. The data reveal spatial and temporal variations in the delta 18O signature of DIP, reflecting the source and the degree of cycling of P. The delta 18O values of DIP collected from the Everglades National Park were close or equal to the predicted delta 18O values of DIP formed in situ in equilibrium with ambient water, indicating that P is quickly cycled in the water column in oligotrophic ecosystems with very low P concentrations. However, most DIP samples collected from areas impacted by agricultural runoff yielded delta 18O values that deviated from the predicted equilibrium DIP delta 18O values based on the delta 18O of water and water temperature, suggesting that biological cycling of P was not rapid enough to remove the fertilizer ?18O signature in the DIP pool from areas receiving high P loading. The delta 18O signature of DIP in impacted areas reflects a mixing of fertilizer P and biologically cycled P, where the relative proportions of biologically cycled vs. fertilizer DIP are controlled by both biological (microbial activities and plant uptake) and hydrologic factors (loading rate and residence time). Using a two-end-member (i.e., fertilizer P and biologically cycled P) mixing model, fertilizers were estimated to contribute about 15 100% of the DIP pool in the highly impacted areas of the northern Everglades, whereas the DIP pool in the reference (i.e., relatively pristine) wetlands in the Everglades National Park was dominated by biologically cycled P. The study shows that O isotopic measurements of dissolved PO(exp 3-, sub 4) can be a useful tool for tracing the fertilizer P inputs to freshwater ecosystems.

Li, Xin↗

An Investigation on Magnetic-Interacting Fe{sub 3}O{sub 4} Nanoparticles Prepared by Electrochemical Synthesis Method

Naked, polyvinylchloride (PVC)-coated, and polyethylene glycol (PEG)-coated Fe{sub 3}O{sub 4} nanoparticles (NPs) with an equivalent average particle size of 10 nm were prepared through an electrochemical synthesis method. The structural and magnetic properties were investigated systematically. The X-ray diffraction study coupled with the Rietveld refinement of XRD data showed that samples are crystallized in cubic spinel structure with space group referred to as Fd3m. The nature of DC magnetization versus field M (H) plot for sample resembles qualitatively with ferromagnetic (FM) systems. The AC-susceptibility data obtained at different frequencies confirmed the presence of a frequency-dependent freezing temperature. Based on the interparticle interaction strength and phenomenological models (Néel–Brown, Vogel–Fulcher, and critical slowing down), the magnetic dynamic behavior of nanoparticles was characterized. By fitting the experimental data with mentioned models, the possibility existence of superparamagnetic and a spin-glass state at low temperatures was proposed for the samples. Also, the obtained values from fitting performance showed a coating effect on interparticle interaction for PVC- and PEG-coated Fe{sub 3}O{sub 4} nanoparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of simple terrain on the spatial variability of a low-level jet and wind farm performance in the AWAKEN field campaign

In wind energy research, scientific challenges are often associated with complex terrain sites, where orography, vegetation, and buildings disrupt flow uniformity. However, even sites characterized as simple terrain can exhibit significant spatial variability in wind speed, particularly during stable boundary layers (SBLs) and low-level jets (LLJs). This study investigates these terrain interactions using both simulations and observations from the American WAKe ExperimeNt (AWAKEN). We employ a multiscale Weather Research and Forecasting (WRF) model simulation, integrating mesoscale forcing in the coarse domains and representing three rows of turbines from the King Plains wind farm as generalized actuator disks (GAD) in the large-eddy simulation (LES) domains. During a nocturnal LLJ event on 3 April 2023, the downstream, wake-affected turbine rows outperformed the upstream, unwaked row by 25 %–51 %. This counterintuitive result arises from terrain-induced streamwise variations in hub-height wind speed of approximately 4 m s −1 over 5 km – equivalent to ∼50 % of the upstream reference speed. This enhancement outweighs the wake-induced reduction in mean wind speed (∼12 %) and global blockage effects reported in the literature (∼1 %–3.4 %). The multiscale simulations capture the intra-farm spatial variability in power performance observed in SCADA data. Terrain-induced vertical displacement of the LLJ, coupled with large wind shear below the jet maximum, drives the substantial streamwise acceleration within the wind farm. These findings underscore the importance of accounting for spatial variability related to terrain, even in simple landscapes, particularly during LLJ conditions. Incorporating such effects into reduced-order modeling frameworks for wind farm design and control could significantly enhance their effectiveness.

17 WIND ENERGY↗

Water Delivery and Giant Impacts in the 'Grand Tack' Scenario

A new model for terrestrial planet formation has explored accretion in a truncated protoplanetary disk, and found that such a configuration is able to reproduce the distribution of mass among the planets in the Solar System, especially the Earth/Mars mass ratio, which earlier simulations have generally not been able to match. Walsh et al. tested a possible mechanism to truncate the disk-a two-stage, inward-then-outward migration of Jupiter and Saturn, as found in numerous hydrodynamical simulations of giant planet formation. In addition to truncating the disk and producing a more realistic Earth/Mars mass ratio, the migration of the giant planets also populates the asteroid belt with two distinct populations of bodies-the inner belt is filled by bodies originating inside of 3 AU, and the outer belt is filled with bodies originating from between and beyond the giant planets (which are hereafter referred to as 'primitive' bodies). One implication of the truncation mechanism proposed in Walsh et al. is the scattering of primitive planetesimals onto planet-crossing orbits during the formation of the planets. We find here that the planets will accrete on order 1-2% of their total mass from these bodies. For an assumed value of 10% for the water mass fraction of the primitive planetesimals, this model delivers a total amount of water comparable to that estimated to be on the Earth today. The radial distribution of the planetary masses and the dynamical excitation of their orbits are a good match to the observed system. However, we find that a truncated disk leads to formation timescales more rapid than suggested by radiometric chronometers. In particular, the last giant impact is typically earlier than 20 Myr, and a substantial amount of mass is accreted after that event. This is at odds with the dating of the Moon-forming impact and the estimated amount of mass accreted by Earth following that event. However, 5 of the 27 planets larger than half an Earth mass formed in all simulations do experience large late impacts and subsequent accretion consistent with those constraints.

Planetary dynamics↗

Analysis of transverse shear strains in pre-twisted thick beams using variational asymptotic method

The cross-sectional stiffness matrix is derived for a pre-twisted, moderately thick beam made of transversely isotropic materials and having rectangular cross sections. An asymptotically-exact methodology is used to model the anisotropic beam from 3-D elasticity, without any further assumptions. The beam is allowed to have large displacements and rotations, but small strain is assumed. The strain energy is computed making use of the beam constitutive law and kinematical relations derived with the inclusion of geometrical nonlinearities and an initial twist. The energy functional is minimized making use of the Variational Asymptotic Method (VAM), thereby reducing the cross section to a point on the beam reference line with appropriate properties, forming a 1-D constitutive law. VAM is a mathematical technique employed in the current problem to rigorously split the 3-D analysis of beams into two: a 2-D analysis over the beam cross-sectional domain, which provides a compact semi-analytical form of the properties of the cross sections, and a nonlinear 1-D analysis of the beam ref-erence curve. In this method, as applied herein, the cross-sectional analysis is performed asymptotically by taking advantage of a material small parameter and two geometric small parameters. 3-D strain components are derived using kinematics and arranged in orders of the small parameters. Closed-form expressions are derived for the 3-D non-linear warping and stress fields. Warping functions are obtained by the minimization of strain energy subject to certain set of constraints that render the 1-D strain measures well-defined. The zeroth-order 3-D warping field thus yielded is then used to integrate the 3-D strain energy density over the cross section, resulting in the 1-D strain energy density, which in turn helps identify the corresponding cross-sectional stiffness matrix. The model is capable of predicting interlaminar and transverse shear stresses accurately up to first order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

BLOOD-BASED MULTI-SCALE MODEL FOR CANCER RISK FROM GCR IN GENETICALLY DIVERSE POPULATIONS

OBJECTIVES AND METHODS This project addresses the challenge of understanding and predicting individual radiation sensitivity by integrating genetics, demographics and biomarker characteristics across species (mice and humans). We hypothesize that ex vivo DNA repair response to GCR components is a central determinant of cancer risk from space radiation and can serve as a biomarker of radiation risk in combination with genetics. Automated image quantification of 53BP1+ radiation-induced foci (RIF) during the first 4-48 h post-irradiation was performed as a function of dose and LET in non-immortalized primary skin fibroblasts derived from 76 mice across 15 strains (5 inbred reference strains and 10 collaborative-cross strains) exposed to X rays (0.1, 1 and 4 Gy), 350 MeV/n 40Ar and 600 MeV/n 56Fe (1.1 and 3 particles/100μm2), as well as in peripheral blood mononuclear cells (PBMCs) from 768 healthy donors (matched ethnicity, 50/50 male/female, 18-70 years old) exposed to gamma rays (0.1 and 1 Gy), 350 MeV/n 28Si, 350 MeV/n 40Ar and 600 MeV/n 56Fe (1.1 and 3 particles/100μm2). QUANTIFICATION OF 53BP1+ FOCI IN VITRO AND ASSOCIATIONS TO IN VIVO RADIATION SUSCEPTIBILITY IN 15 MOUSE STRAINS We reported in vitro repair kinetic and repairable fractions of RIF for the 15 mouse strains and introduced a mathematical model for RIF as a function of time, dose and LET. We noted that the metabolic activity of cells modulates the RIF response, and we introduced the open access tool terRIFic (Tool for Enhanced Results of RIF In Cells, https://radbiolab.shinyapps.io/terrific/) to correct for such bias using confluence level. Notably, at 4h post-irradiation, RIF/Gy decreased with dose or LET: as the dose or LET increases, so does the proximity of DNA double-strand-breaks (DSB) and our data suggest that proximal DSBs are brought together inside isolated RIF for repair. The RIF/Gy trend was inverted at 24h, suggesting RIF with high DSB content are more difficult to repair. We showed that in vitro metrics correlate with in vivo measurements in the same 15 mouse strains, such as survival levels of immune cells or spontaneous cancer incidence, suggesting a relationship between the efficiency of DSB repair and cancer risk or radiation toxicity. In addition to the efficiency of repair and persistent RIF, the amount of spontaneous foci before irradiation was also found to be strain dependent. Finally, we performed genome-wide association study in the same 15 mouse strains using all RIF phenotypes measured in vitro, identifying genes of interest and validating RIF as an ideal biomarker for individual radiation sensitivity. BASELINE 53BP1+ FOCI PREDICTS INDIVIDUAL HUMAN RESPONSE TO GCR COMPONENTS Based on the analysis of radiation responses of 576 donor PBMCs (using quantification of 53BP1+ foci, oxidative stress and cell death), we observed a wide variability of subject- and LET-dependent radiation responses, with radiation-induced DNA repair foci increasing with LET, though oxidative stress being notably reduced by high-LET irradiation, potentially due to a switch between hydrogen peroxide and oxygen radical-based mechanisms. We identified a relationship between few spontaneous DNA foci at baseline and increased DNA repair after irradiation, accompanied by an alteration in immunoregulatory cytokine secretion, which might be adapted as biomarkers to predict ionizing radiation sensitivity. Among demographic variables, only latent cytomegalovirus infection and age were predictive of high baseline foci formation. Finally, we have performed low-throughput whole genome sequencing of all samples and are currently in the process of identifying the genes and pathways associated with low and high-LET ionizing radiation sensitivity in humans.

53BP1↗

Probabilistic Cloud Optimized Day-Ahead Forecasting System Based on WRF-Solar (Final Report)

The most persistent challenge in both intraday and day-ahead solar forecasting is to get numerical weather prediction models to produce the right type of clouds with the right frequency at the right time and place. Another challenge is to understand and communicate the forecast uncertainty. The objective of this project was to develop an optimized ensemble-based solar irradiance forecasting system that will (1) demonstrably improve the current state-of-the-art solar forecasts from the deterministic Weather Research and Forecasting-Solar (WRF-Solar) model and (2) provide probabilistic forecasts for grid operations. This probabilistic solar forecasting system, referred to as the WRF-Solar Ensemble Prediction System (WRF-Solar EPS), aims to significantly enhance both the intraday and the day-ahead solar forecasting capability for grid operations. This technical report summarizes the work performed in the past 3 years through a collaboration between the National Renewable Energy Laboratory and the National Center for Atmospheric Research as part of the U.S. Department of Energy's Solar Forecasting 2 program that aims to improve the accuracy of solar energy forecasts and enable increased deployment of solar energy on the electric grid.

14 SOLAR ENERGY↗

Finding new perovskite halides via machine learning

Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach toward rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning, henceforth referred to as ML) via building a support vector machine (SVM) based classifier that uses elemental features (or descriptors) to predict the formability of a given ABX 3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br, or I anion) in the perovskite crystal structure. The classification model is built by learning from a dataset of 185 experimentally known ABX 3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor, and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. As a result, the trained and validated models then predict, with a high degree of confidence, several novel ABX 3 compositions with perovskite crystal structure.

36 MATERIALS SCIENCE↗

Commercialization of the NLR Hydrogen Wide Area Monitor (HyWAM): Cooperative Research and Development (Final Report)

Hydrogen wide area monitoring refers to the temporal and quantitative 3-dimenasional spatial profiling of hydrogen plumes following either intentional or unintentional hydrogen releases. A hydrogen wide area monitor (HyWAM) would have applications as a research tool, for example to provide empirical data on the behavior of hydrogen dispersions following a release, which in turn can be used to validate modelling studies. Support of modeling studies and commercial applications are interrelated, since modeling can serve to guide HyWAM deployment for enhanced safety within medium to large scale hydrogen operations, such as those envisioned by H2@Scale.

08 HYDROGEN↗

AGR-5/6/7 Irradiation Experiment Test Plan

This document presents the test plan for the AGR-5/6/7 irradiation experiment, the combined fifth, sixth, and seventh irradiations of the United States Department of Energy Advanced Gas Reactor (AGR) Fuel Development and Qualification Program. The combined irradiation tests will consist of fuel qualification tests (AGR-5/6) and a margin test (AGR-7) for the industrially produced uranium oxycarbide (UCO) tristructural isotropic (TRISO) coated particle fuel developed by the AGR Program. The objective of the AGR-5/6/7 irradiation experiment is to establish the performance of UCO TRISO fuel fabricated using engineering-scale equipment in a production environment under and beyond normal operating conditions. Specifically, the goals of the AGR 5/6/7 irradiation experiment are: 1. Irradiate reference design fuel containing low-enriched UCO TRISO fuel particles to support fuel qualification. 2. Establish the operating margins for the fuel beyond normal operating conditions. 3. Provide irradiated fuel performance data and irradiated fuel samples for post-irradiation examination and safety testing. 4. Support the refinement of fuel performance and fission product transport models with online, post-irradiation examination and safety test data. In order to achieve the test objectives, the AGR-5/6/7 experiment will be irradiated in the northeast flux trap position of the Advanced Test Reactor at Idaho National Laboratory. The larger diameter of the northeast flux trap provides greater flexibility for test train design, significantly enhancing the capability for the combined irradiations. The test train contains five separate and independently controlled and monitored capsules. The middle capsule contains the AGR 7 margin test fuel. The two bottom and two top capsules contain the AGR 5/6 fuel. Each capsule contains a variable number of fuel compacts filled with UCO TRISO particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Completion design improvement using a deep convolutional network

Maximizing stimulated natural and hydraulic fracture network is one of the primary hydraulic fracturing concerns for economic production from a horizontal shale gas well. Geomechanical facies and preexisting fractures in each stage are identified based on similarities in formation characteristics to optimize the locations of perforation clusters. This often requires analyzing large volumes of drilling, Logging While Drilling (LWD) and Measurement While Drilling (MWD) data. In this paper, we develop a methodology that calculates the mechanical specific energy (MSE) using real-time drill string acceleration signals directly from its definition. High resolution vibration signals have been collected using a tri-axial accerlometer, which was an auxiliary tool included in acoustic borehole imager. This technique provides a cost-efficient solution for engineered completion design. Furthermore, we adopt deep Convolutional Neural Network (CNN) with signal processing to build a data pipeline that effectively extracts patterns from dynamic acceleration signals for rock lateral MSE classification. First, we apply discrete wavelet transform and Short-Time Fourier Transform (STFT) for signal denoising and pattern recognition. Then we construct an image dataset using multi-scale image fusion at pixel level from 3 sensor channels, including axial, lateral acceleration spectrograms and zero-padded revolutions per minute (RPM). The resulted RGB image dataset includes 4,000 images of 5 MSE ranges with various rock strength conditions. Our results demonstrate that the proposed deep learning model can achieve more than 90% classification accuracy. The deep learning results, as a reference source, were applied in selected Marcellus Shale Energy and Environmental Lab (MSEEL) wells engineered completion located in the Marcellus shale gas site.

03 NATURAL GAS↗

Middle Atmosphere Reference Model Derived from Satellite Data

Zonally averaged temperature and geostrophic zonal wind for each month and for latitudes from 80 S to 80 N with pressure scale height as a vertical coordinate are given tabular form. The pressure scale height is defined as -ln (p/P sub O) where p is pressure and P sub O is surface pressure. The height interval corresponding to one pressure scale height is proportional to absolute temperature, and is 7 km at 240 K. Values in are given at intervals of 0.5 pressure scale heights, i.e., approximately 3,5 km. The geopotential height fields for the principal seasons are given. Temperature, pressure and density with geometric height as the vertical coordinate at invervals of 5 km. The temperature values were obtained from a combination of satellite data above 30 mb with values supplied by the Berlin Free University at 30 mb and the climatology derived by OORT (1983) for 50 mb and below. The geopotential height fields were obtained from these temperature fields by integrating up and down from the 30 mb geopotential height supplied by Berlin Free University. The geostrophic winds were obtained by differentiating these geopotential height fields.

Barnett, J. J.↗

The Next Generation of Mars-GRAM and Its Role in the Autonomous Aerobraking Development Plan

The Mars Global Reference Atmospheric Model (Mars-GRAM) is an engineering-level atmospheric model widely used for diverse mission applications. Mars-GRAM 2010 is currently being used to develop the onboard atmospheric density estimator that is part of the Autonomous Aerobraking Development Plan. In previous versions, Mars-GRAM was less than realistic when used for sensitivity studies for Thermal Emission Spectrometer (TES) MapYear=0 and large optical depth values, such as tau=3. A comparison analysis has been completed between Mars-GRAM, TES and data from the Planetary Data System (PDS) resulting in updated coefficients for the functions relating density, latitude, and longitude of the sun. The adjustment factors are expressed as a function of height (z), Latitude (Lat) and areocentric solar longitude (Ls). The latest release of Mars-GRAM 2010 includes these adjustment factors that alter the in-put data from MGCM and MTGCM for the Mapping Year 0 (user-controlled dust) case. The greatest adjustment occurs at large optical depths such as tau greater than 1. The addition of the adjustment factors has led to better correspondence to TES Limb data from 0-60 km as well as better agreement with MGS, ODY and MRO data at approximately 90-135 km. Improved simulations utilizing Mars-GRAM 2010 are vital to developing the onboard atmospheric density estimator for the Autonomous Aerobraking Development Plan. Mars-GRAM 2010 was not the only planetary GRAM utilized during phase 1 of this plan; Titan-GRAM and Venus-GRAM were used to generate density data sets for Aerobraking Design Reference Missions. These data sets included altitude profiles (both vertical and along a trajectory), GRAM perturbations (tides, gravity waves, etc.) and provided density and scale height values for analysis by other Autonomous Aero-braking team members.

Justh, Hilary L.↗

NASA's Habitation Development Status: Current Concepts and ISRU Opportunities

Introduction: The National Aeronautics and Space Administration (NASA) is embarking on a bold journey to return humankind to the Moon and onward to Mars with innovative commercial, international, and academic partnerships [1]. Under the Artemis series of missions, NASA seeks to establish sustained human exploration of deep space through an objectives-based approach [2]. This approach drives the identification of needed system functionality and the current and future capabilities which will eventually allow humanity to sustainably live beyond Earth. Providing evolvable and scalable habitation is a cornerstone function that calls for the collection and integration of current, developmental, and future technologies that can meet near-term exploration needs while growing into long-term sustained presence. NASA is advancing in-space habitation through its Next Space Technologies for Exploration Partnerships (NextSTEP) model while designing lunar, Mars transit, and Mars surface habitat government reference concepts for Artemis missions. These efforts have unveiled possible near-term opportunities for the in-space resource utilization community if human habitation is considered a future customer of space resources. NextSTEP Habitation Development: NASA is closely working with commercial partners under its NextSTEP Appendix A model to advance habitation systems in the arena of inflatable and composite habitation structures. Such efforts promise efficiencies in volumetric packaging and overall spacecraft mass respectively. Recent testing by commercial partners have helped to quantify possible failure mechanisms for inflatable structures while advancing their technology towards eventual flight certification. The advancement of such Class II habitation structures, in which the habitat is only fully deployed once in-space or on a planetary surface [3], is critical to providing increased habitable volume for long-duration missions with no additional mass penalties. The progression of such technology is infused into NASA’s government reference concepts for notional deep space habitation concepts. Current Government Reference Concepts: To best inform the formulation of future collaborative solicitations, NASA employs the practice of internally developing reference concepts for future exploration elements. These concepts aid in identifying the functions and capabilities needed to complete NASA missions as well as feasible solutions within the timeframe needed. Government reference concepts for a lunar Surface Habitat, Mars Transit Habitat, and Mars Sur-face Habitat are continuously being developed and updated to better guide the Agency’s overall exploration architecture. Lunar Surface Habitat. As NASA returns to the Moon, it is evaluating possible lunar surface habitation concepts. The Surface Habitat (SH) reference concept entails a hybrid metallic-inflatable structure capable of initially housing two crew for surface stays of up to 30 days in duration [4]. While initial missions may span ~7 days in duration, consideration is being given to expanding SH’s capability to support a crew of four for up to 60 days over its 15-year design life [5]. Functionally, the SH serves as a ‘hub’ for all Artemis crewed surface operations, providing internal volume for maintenance, medical, logistics, science utilization, and extravehicular activity (EVA) support in addition to core habitation functionality such as environmental control and life support (ECLS) and power generation and distribution among many others. Additionally, NASA has entered a study agreement with the Italian Space Agency (Agenzia Spaziale Italiana – ASI) to investigation a possible Multi-Purpose Habitat (MPH) as an additional or augmenting habit-able element for the lunar surface [6]. Mars Transit Habitat. NASA’s current architectural concept for initial human missions to Mars entails the utilization of a transit habitat (TH) to transport a four-person crew to and from Mars orbit, departing from and returning to a lunar near-rectilinear halo orbit (NRHO), over the course of a ~1,200-day mission [5]. While holding a similar 15-year design lifetime, TH will also support a series of analog mission activities in NRHO to gradually test the systems and interaction with lunar surface elements, some of which may be adapted for Mars surface exploration. Holding similar functional capabilities as SH, TH is sized to support much longer durations in space and greater logistical independence. Mars Surface Habitat. NASA is still exploring the concept of operations for initial crewed missions to Mars. As such, the Mars Surface Habitat (MSH) concept is still in its infancy as options for mobile, pressurized habitation and stationary habitats are being explored. It is expected MSH will leverage heavily from the lunar SH and possible lunar pressurized rover, however the very different Martian environment will likely necessitate modifications. ISRU Opportunities: Despite the advancements under NASA’s NextSTEP habitation work and continually optimized reference concepts, NASA is facing near-term mass and power challenges that may create opportunities to the ISRU community by providing yet another possible customer for space resources. While NASA desires to use regenerative ECLS systems (ECLSS) for all habitation concepts, their operation comes with initial mass penalties and maintenance overheads when compared to simpler open-loop architectures. Because of this, NASA is currently pro-posing an open-loop, consumables-based architecture for its surface habitats to achieve initial launch and delivery lander mass targets while scarring for the in-corporation of regenerative ECLSS to meet longer mission durations and sustained presence. With such an architecture, oxygen and potable water are needed consumables, which initial ISRU systems may be able to provide in a pilot capacity. Although the TH is expecting to utilize regenerative ECLSS, advancements in lunar surface-based ISRU and possible re-supply of spacecraft in lunar or Mars orbit could significantly reduce the logistical need for ECLSS related spares on TH and possibly allow a similar open-loop and consumables-based architecture. Table 1 Notional ECLSS consumables per mission use for SH and TH [5]. SH (28-day) Open Loop: Water (kg) 288 | Oxygen (kg) 30 TH (1110-day) Closed-Loop: Water (kg) 182 | Oxygen (kg) 123 In addition to ECLSS mass concerns, the SH is facing challenges with energy storage to support operations over periods of darkness exceeding 100 hours. Both battery and fuel cell-based power architectures are being traded, opening options for external power generation and energy storage. One possibility is ISRU-produced H2 and O2 feeding external primary fuel cell systems which could supplement habitation power generation while reducing initial mass and volume until much more powerful fission power systems might be deployed. Conclusion: Significant advancements are being made in evolvable habitation concepts that span from near-term technologies, such as inflatable structures under NextSTEP, to potentially revolutionary capabilities like the lunar surface construction as funded through the Moon-to-Mars Planetary Autonomous Construction Technologies (MMPACT) project [7]. As NASA investigates both heritage capabilities and rap-idly advancing, disruptive technologies, there are likely many near-term opportunities for initial ISRU capabilities to significantly aid human habitation and increase self-sufficiency beyond Earth.

habitation↗

Composition-Based Density Model for High Level Waste Glasses

In this report, the Savannah River National Laboratory (SRNL) provides a first-principles model capable of predicting the density of high-level waste (HLW) glass based on the glass composition. The model relies on the additivity of the specific volume of bound glass oxides to obtain a quantitative evaluation of the approximate glass density. A database of glass densities and compositions was compiled from various sources including previous Defense Waste Processing Facility (DWPF) variability study glasses, HLW studies from other institutions, and literature references. There are a total of 1104 glass compositions in the database with densities ranging from 2.224 g/cm 3 to 3.997 g/cm 3 . The breadth of the compositional coverage space is reported as well. A predictive method was investigated in which the glass density was calculated as a function of the weighted partial molar volumes of the individual glass oxides and the molar mass of the glass. This method yielded a high correlation between the predicted density and the measured density. In addition, a linear regression of these predictions indicated that the predicted value was equal to the measured within the bounds of analytical uncertainty. The following conclusions were drawn from the results of these analyses: 1. Measured glass density is highly correlated with glass composition (R 2 ≈ 0.95). 2. The correlation between glass density and glass composition can be expressed as either: a. A weighted sum of the individual oxide glass-component densities, or b. A weighted sum of the individual oxide glass-component partial molar volumes. 3. A linear regression of the predicted density via partial molar volume method to the measured density yields a slope of 0.9975 and an intercept of -0.0007 – the uncertainty interval associated with these coefficients contain one and zero, respectively. 4. The fitted coefficients and associated uncertainty intervals of the linear regression of the predicted density via the partial molar volume method to the measured density suggest that the predicted theoretical density is, within analysis uncertainty, equal to the measured density of the glass. It is recommended that glass density measurements included with the variability study for each sludge batch be discontinued. In their place, SRNL will calculate a bounding glass density value for the frit/sludge system using the model. It is also recommended that DWPF implement the density model as part of the fissile loading determination portion of the SME acceptability process. Details for implementation are provided in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Mechanical Analysis of W78/88-1 Life Extension Program Warhead Design Options

Life Extension Program (LEP) is a program to repair/replace components of nuclear weapons to ensure the ability to meet military requirements. The W78/88-1 LEP encompasses the modernization of two major nuclear weapon reentry systems into an interoperable warhead. Several design concepts exist to provide different options for robust safety and security themes, maximum non-nuclear commonality, and cost. Simulation is one capability used to evaluate the mechanical performance of the designs in various operational environments, plan for system and component qualification efforts, and provide insight into the survivability of the warhead in environments that are not currently testable. The simulation efforts use several Sandia-developed tools through the Advanced Simulation and Computing program, including Cubit for mesh generation, the DART Model Manager, SIERRA codes running on the HPC TLCC2 platforms, DAKOTA, and ParaView. Several programmatic objectives were met using the simulation capability including: (1) providing early environmental specification estimates that may be used by component designers to understand the severity of the loads their components will need to survive, (2) providing guidance for load levels and configurations for subassembly tests intended to represent operational environments, and (3) recommending design options including modified geometry and material properties. These objectives were accomplished through regular interactions with component, system, and test engineers while using the laboratory's computational infrastructure to effectively perform ensembles of simulations. Because NNSA has decided to defer the LEP program, simulation results are being documented and models are being archived for future reference. However, some advanced and exploratory efforts will continue to mature key technologies, using the results from these and ongoing simulations for design insights, test planning, and model validation.

42 ENGINEERING↗

Mapping intra-field yield variation using high resolution satellite imagery to integrate bioenergy and environmental stewardship in an agricultural watershed

Biofuels are important alternatives for meeting our future energy needs. Successful bioenergy crop production requires maintaining environmental sustainability and minimum impacts on current net annual food, feed, and fiber production. The objectives of this study were to: (1) determine under-productive areas within an agricultural field in a watershed using a single date; high resolution remote sensing and (2) examine impacts of growing bioenergy crops in the under-productive areas using hydrologic modeling in order to facilitate sustainable landscape design. Normalized difference indices (NDIs) were computed based on the ratio of all possible two-band combinations using the RapidEye and the National Agricultural Imagery Program images collected in summer 2011. A multiple regression analysis was performed using 10 NDIs and five RapidEye spectral bands. The regression analysis suggested that the red and near infrared bands and NDI using red-edge and near infrared that is known as the red-edge normalized difference vegetation index (RENDVI) had the highest correlation (R 2 = 0.524) with the reference yield. Although predictive yield map showed striking similarity to the reference yield map, the model had modest correlation; thus, further research is needed to improve predictive capability for absolute yields. Forecasted impact using the Soil and Water Assessment Tool model of growing switchgrass ( Panicum virgatum ) on under-productive areas based on corn yield thresholds of 3.1, 4.7, and 6.3 Mg·ha -1 showed reduction of tile NO 3 -N and sediment exports by 15.9%–25.9% and 25%–39%, respectively. Corresponding reductions in water yields ranged from 0.9% to 2.5%. While further research is warranted, the study demonstrated the integration of remote sensing and hydrologic modeling to quantify the multifunctional value of projected future landscape patterns in a context of sustainable bioenergy crop production.

09 BIOMASS FUELS↗