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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1971

A simulation study of emergency lunar escape to orbit using several simplified manual guidance and control techniques

A fixed-base piloted simulator investigation has been made of the feasibility of using any of several manual guidance and control techniques for emergency lunar escape to orbit with very simplified, lightweight vehicle systems. The escape-to-orbit vehicles accommodate two men, but one man performs all of the guidance and control functions. Three basic attitude-control modes and four manually executed trajectory-guidance schemes were used successfully during approximately 125 simulated flights under a variety of conditions. These conditions included thrust misalinement, uneven propellant drain, and a vehicle moment-of-inertia range of 250 to 12,000 slugs per square foot. Two types of results are presented - orbit characteristics and pilot ratings of vehicle handling qualities.

Middleton, D. B.↗
NASA NTRS2001

A spontaneously arising mutation in connexin32 with repeated passage of FRTL-5 cells coincides with increased growth rate and reduced thyroxine release

In this study we examine changes in the cellular properties of FRTL-5 cells as a function of passage number, with particular emphasis on gap junction expression, karyotype, morphology, growth rate and thyroxine (T(4)) release. Early passage FRTL-5 follicular cells transfer dye through gap junctions from injected cell(s) to third-order neighboring cells and beyond within their respective follicles and have immuno-detectable connexin32 (Cx32) type gap junctional plaques in their lateral contacting plasma membranes. By contrast, FRTL-5 cells established as monolayers, or as follicles from cultures passed more than 15 times, did not transfer microinjected Lucifer Yellow dye to contiguous neighboring cells and did not express any immuno-detectable rat thyroid specific connexins (Cx43, Cx32 or Cx26). Western blots confirmed that total, membrane and cytosolic Cx32 protein was present only in early pass follicular cultures. To better understand the passage-dependent loss of Cx32 expression, RT-PCR primers were made to the most unique sequences of the rat Cx32 molecule, the cytoplasmic and carboxyl-terminal regions. These primers were used to screen FRTL-5 RNA from cultures of various passage numbers. The results revealed that later passage cultures had a single base deletion in the middle of the Cx32 cytoplasmic loop region at nucleotide position 378. This base deletion was in the middle position of the codon for amino acid 116, which is normally a CAC (histidine) but read with the frame shift was a CCC (proline). The four amino acids that followed this deletion were also altered with the fourth one becoming UAA, the ochre translation stop codon. This premature stopping of translation resulted in a truncation of 60% of the protein, which included the remaining cytoplasmic loop, third and fourth transmembrane regions and the carboxyl-terminus. The later passage cultures did not produce a carboxyl-terminal RT-PCR product, indicating that the mRNA was also truncated. These regions of the Cx32 molecule contain the sequences and epitopes to which probes and antibodies are directed, and as such alterations of these regions with repeated passage explains reports by others that FRTL-5 cells do not express Cx32, and implies that cultures used for these assessments were passed more than 15 times. To determine if genetic or epigenetic abnormalities existed in FRTL-5 cells we performed chromosome spreads from various passage cultures. FRTL-5 cells have been reported to be diploid and more recently non-diploid; however, we found them to be fully tetraploid. This tetraploidy appears to be unstable in that later passes are tetraploid plus two or three extra chromosomes. There were no obvious translocations, breaks or large-scale interstitial deletions of any chromosomes in the FRTL-5 cultures tested. As FRTL-5 cells were repeatedly passed their morphology changed. Monolayer areas spread from beneath the follicles, and the follicles became flattened in appearance. These physical changes were coincident with dramatically increased growth rates. Early cultures (passed 3-12 times) divided on average every 49+/-1 h, whereas later passes (passes 20-25) divided every 28+/-3 h. To correlate these changes with a measure of thyroid function we assayed T(4) output. Early passage follicular cultures incubated for 6 h with sodium iodide, released on average 5.27+/- 0.33 ng/ml of T(4)/100 follicles. Later passes, or early passes treated with heptanol to down-regulate Cx32, released an average of 3.84+/-0.50 ng/ml of T(4)/100 follicles. There was a 27% difference in T(4) release between early follicular cultures, that were coupled by Cx32, and late or down-regulated early follicular cultures, that were uncoupled (P<0.0001). Collectively, the physical changes documented in this study were coincident with the loss of functional Cx32. This implies a relationship between the loss of intercellular communication and changes in morphogenic appearance, growth rate and reduced thyroid function and supports the previously postulated, tumor-suppressor role for Cx32. FRTL-5 cultures from low passage numbers are an excellent model of primary thyroid cells. However, many reports in the literature ascribe features to FRTL-5 cells that are mutually inconsistent. These differences may be resolved in the future by addressing the passage number and the conditional differences of the cultures being studied.

NASA Discipline Radiation Health↗
NASA NTRSDate not supplied

An Eddy Current Case Study using NASA’s Transfer Function and Limited-Sample Probability of Detection Guidebooks

Probability of detection (POD) requirements for NASA fracture-critical human-rated systems can be met by (1) claiming ‘similarity’ to NASA Standard Nondestructive Evaluation (NDE) flaw sizes or (2) by inspector-specific POD demonstration, known as NASA Special NDE. Standard NDE flaw sizes are intended to represent the detection capability of most qualified inspectors, and were primarily based on POD studies in the development of the Space Shuttle Program Orbiter fracture control plan. However, these Standard NDE flaw sizes were based on fatigue cracks in flat panels of one material alloy over a limited range of panel thicknesses. While the POD study was comprehensive, the inspection conditions are relatively narrow. An evaluation of similarity between the Standard NDE POD study and flight component conditions is required to apply Standard NDE to specific flight component inspections. A similarity evaluation may include differences in materials, surface finish, component geometry (e.g., curvature, corners, welds), and inspection access. Similarity is typically based on a qualitative engineering evaluation. Recently, NASA published a quantitative methodology to assess similarity. If similarity is not supported by test and analysis, then the methodology provides a transfer function of flaw size for Special NDE POD demonstration. NASA recommends that Special POD demonstrations use flaws that are flight-like or more difficult to detect than flight component flaws, which are commonly induced fatigue cracks. Often, it is not feasible to induce fatigue cracks in flight component geometry, and therefore, a simpler representative geometry is used, commonly a flat panel, for POD demonstration. Inducing cracks in simple geometry specimens can be time-consuming and expensive, and thus, minimizing the number of flawed specimens is desired. Traditionally, NASA Special NDE demonstration was limited to MIL-HDBK-1823A methods or the binomial point-estimate method (PEM), commonly known as 29/29. Recently, NASA published a limited-sample POD (LS-POD) methodology for signal-response NDE techniques (e.g., eddy current) that provides POD demonstration with fewer specimens than previous approaches. LS-POD suggests a minimum of 10 flawed specimens, compared to 29 in the PEM and the suggested minimum of 40 from MIL-HDBK-1823A. The methodology also includes new guidance on evaluating the probability of false calls. In this presentation, these new transfer function and LS-POD methodologies are described and illustrated through an eddy current detection capability of far-side flaws on thin welded panels. A geometry-based transfer function is developed using electro-discharge machined (EDM) notches in flight component and simple geometry to estimate the Special NDE flaw size that is representative of the critical initial flaw size required by the fracture analysis. Then, fatigue cracks are induced in simple flat panels of the transferred flaw size, and the LS-POD methodology is used for Special NDE demonstration.

P. A. Parker↗
DOE OSTI2019

Crosscutting Recombination Metrology for Expediting VOC Engineering

Work carried out under this grant addressed the need for improved materials and device characterization of solar cell designs. This experimental program aimed to develop joint electrical and optical studies of solar cells based on the group-II-VI semiconductor CdTe and the chalcogenide semiconductor Cu(InGa)Se 2 . Electrical measurements focused on temperature (T) and illumination intensity (I) dependence of the open-circuit voltage (VOC), a quantity that plays an important role in conversion efficiency. The VOC depends on temperature and illumination intensity through the energy gap and positions of the quasiFermi levels (QFLs). Optical measurements exploited the illumination and temperature dependence of absolute photoluminescence (PL) intensity (PL-I), a quantity that also depends on the QFL positions. The QFL splitting is a quantity that also depends on recombination rates within the solar cell, including radiative and non-radiative processes. Other factors affect the electrical and optical properties. These include band offsets at both the front and back interfaces of the device active region where electrical contacts are formed. Understanding, locating, and quantifying the recombination properties of the solar cells was the principal goal of this research. Custom simulations were developed to solve continuity and Poisson equations selfconsistently to obtain free-electron and free-hole concentrations. The measurements of temperature and intensity dependent VOC and PL-I allowed the extraction of a number of physical parameters including the conduction band offset, the shunt constant, and the effective capture coefficient for recombination centers, both within the absorber and at the absorber-buffer interface. In addition, the back-contact barrier height is determined from electrical properties. Each of these is discussed in the report. The illumination intensity dependence of VOC and PL-I do not overlap in experiments primarily because PL is not observed in the low-intensity regime where VOC is studied. Absolute PL-I measurements enabled development of an approach directly comparing it with VOC. This in turn allowed development of a simulation capability that would consistently use both measurements, as functions of T and I, for producing a minimization scheme using a differential evolution algorithm. The approach was applied to both CdTe and Cu(InGa)Se 2 solar cells each prepared under various conditions. Shunt conductivity, QFL splitting, recombination were measured. Also extensively studied are current-voltage and frequency-dependent capacitance voltage. Work completed under this grant included studies of magnesium zinc oxide (MZO) buffered CdTe solar cells including the effects of hydroiodic acid (HI) treatment. From these studies the recombination rates were quantified at the buffer/absorber (front) interface. The effect of back-contact barrier height was investigated. CdTe solar cells were prepared with CdSe and CdS buffer layers. Lower grain-boundary potential fluctuation, higher back-contact barrier height, and greater bulk recombination were observed in early devices with CdSe buffer layer. Investigations were also carried out into CdS/Cu(InGa)Se 2 solar cells. A metal-insulatorsemiconductor capacitance-voltage technique was developed to extract recombinationrelevant properties of the absorber interface. From this work the density of interface states D it , their capture cross-section σ, fixed charge at the interface Q f , and surface recombination velocity were all extracted.

14 SOLAR ENERGY↗
DOE OSTI2018

FoxO1 expression in osteoblasts modulates bone formation through resistance to oxidative stress in mice

Accumulation of reactive oxygen species (ROS) induced by oxidative stress (OS) affects cell survival, cell function and even results in cell death. As a major transcription factor of forkhead O (FoxOs) family, FoxO1 orchestrates multiple osteoblastic biological processes, thus regulating osteoblast physiology and bone metabolism. However, the outcome of osteoblast behaviors varies under different physiological and pathological conditions. Also, the underlying impact of FoxO1 on oxidative stress and further on bone metabolism still remains unclear. In this study, using osteoblast-specific FoxO1 knockout (FoxO1{sub OB}{sup -/-}) mice, we investigated the potential roles of FoxO1 on bone formation and osteoblast bioactivity under physiological condition. We show herein that FoxO1-knockout decreased bone volume and bone formation rate in FoxO1{sub OB}{sup -/-} mice, which might be related to the decreased osteoblasts number. We also found that FoxO1-knockout increased apoptosis-related caspase-3 activity of osteoblasts, and inhibited the expression of osteogenic phenotypic markers (i.e. Runx2, Osx, ALP and OPN), leading to reduced osteoblasts differentiation. The alterations of bone formation and osteoblasts bioactivity were further testified to be linked to the elevated intracellular oxidative stress levels in FoxO1-deficient osteoblasts. Besides, administration of the antioxidant N-acetyl-l-cysteine (NAC) normalized the increased ROS levels in FoxO1-deficient osteoblasts, restoring the decreased osteoblasts differentiation, suppressing apoptosis-related caspase-3 activity, and promoting the expression of osteogenic markers in FoxO1-deficient osteoblasts. These results together illustrated that as a major regulator in redox homeostasis and osteoblast physiology, FoxO1 provides a favorable intracellular environment for osteoblast functions by defensing against the adverse effects of oxidative stress.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Modeling an S N 2 Reaction Mechanism for Hydrolysis of Siloxane Linkages with Density Functional Theory under Basic Conditions and Implications for Dissolution of Quartz

An extended silicate molecular cluster was used to perform density functional theory calculations to determine if an S N 2 mechanism, where OH – attacks a Q 1 Si coupled with Na + charge balancing an adjacent siloxane bridging O atom, could explain the observed energy of activation of quartz dissolution under basic conditions.

chemical calculations↗
DOE OSTI2021

Tool-workpiece stick-slip conditions and their effects on torque and heat generation rate in the friction stir welding

Friction stir welding (FSW) has found increased applications in automotive and aerospace industries due to its advantages of solid-state bonding, no fusion and melting, and versatility in various working conditions and material combinations. However, the relationship among processing parameters, material properties, and bonding extent and fidelity remains largely empirical, primarily because of the lack of the mechanistic understanding of the tool-workpiece frictional behavior that affects our subsequent understanding of microstructural evolution and interface bonding formation. While the tool-workpiece stick-slip condition is believed to dictate the resulting torque and heat generation rate during the welding process, it remains rare and elusive to conduct a quantitative experimental measurement of such interfacial field. On the other hand, numerical simulations based on Computational Fluid Dynamics (CFD) rely on ad hoc assumptions of interfacial pressure and shear-stress conditions, but predictions can only be validated via the medium- and far-range temperature field which is known to be insensitive to the interfacial frictional behavior. This work first presents a comparison among two CFD-based simulation methodologies and the Coupled Eulerian Lagrangian (CEL) model in finite element method, the last of which uses the Coulomb friction so that the stick-slip is naturally developed. Based on the Hill-Bower similarity relationship in the contact analysis, an analytical model is developed here to prove why a constant stick-slip fraction will be developed in the steady state, to correlate the stick-slip fraction to processing parameters such as the tool spin rate, and further to derive dimensionless functions for torque and heat-generation-rate predictions. Pros and cons of various numerical approaches in predicting stick-slip are discussed, and our analytical model has been found to agree well with our numerical simulation and literature experimental results. These analyses provide the critical strain-rate and temperature fields that are needed for the bonding analysis in our future work.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Constitutive Behavior and Hot Workability of a Hot Isostatic Pressed Ti-22Al-25Nb Alloy during Hot Compression

A Ti-22Al-25Nb alloy was fabricated from prealloyed powders by hot isostatic pressing for 2 h at a temperature of 1050 °C and pressure of 100 MPa. The hot deformation behavior of the Ti-22Al-25Nb alloy was characterized by isothermal compression testing at deformation temperatures between 900 and 1060 °C and strain rates between 0.001 and 1 s{sup −1}. Based on the true stress–strain curves, a constitutive equation was constructed to describe the flow stress as a function of the strain rate and deformation temperature. Three-dimensional (3D) processing maps were developed based on dynamic material model theory using the stress flow data to identify the instability and optimization regions of the hot processing parameters. The results show that the flow stress decreases with increasing deformation temperature and decreasing strain rate, and the softening mechanisms are different under different deformation conditions. The apparent activation energies in the (α{sub 2} + β/B2 + O) and (α{sub 2} + B2) phase regions are calculated to be 865.177 and 590.661 kJ/mol, respectively, which suggests that the hot isostatic pressed (HIPed) Ti-22Al-25Nb alloy requires a high hot deformation activation energy. Combined with microstructural observations, the optimal processing domains are determined to be a temperature range of 1030-1060 °C and strain rate range of 0.01-0.1 s{sup −1} in the α{sub 2} + B2 phase region. Moreover, the results indicate that adiabatic shear bands and severe inhomogeneous deformation cause flow instability at lower temperatures (900-1005 °C) and higher strain rates (> 0.1 s{sup −1}).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Further Development of the Tamped Richtmyer-Meshkov Instability Method and Application to Molybdenum Dynamic Strength Calibration and Tabulation

The high pressure and high strain rate dynamic strength of Mo is experimentally and computationally investigated in the 3–20 GPa stress, 50–600 C temperature, and 10 5 –10 6 /s strain rate regimes using a modified tamped Richtmyer-Meshkov instability (RMI) method. Modifications to the tamped RMI method include a method to determine loading states during strain, a new strength calibration function based on interface shape, and a robust uncertainty quantification method. These modifications improve fidelity of the tamped RMI method, allowing evaluation of the compensating effects of pressure hardening, strain rate hardening, strain hardening, and thermal softening. The new calibration function based on interface shape is not limited to sinusoidal corrugations and could be applied to additional interface shapes. Plate impact experiments are performed at Argonne National Laboratory’s Advanced Photon Source’s Dynamic Compression Sector operated by Washington State University (DCS), driving a planar shock front through a corrugated Mo-D 2 O or Mo-C 8 F 18 interface, forcing the corrugation to significantly deform. The extent of interfacial deformation, RMI growth, is experimentally observed using X-ray phase contrast imaging at the DCS. RMI jet lengths and jet shapes are extracted from the experimental radiographs, then used to calibrate numerical simulations performed with the Sandia National Laboratories (SNL) hydrocode CTH. Mo yield strength, Y, as a function of shock pressure, P, strain rate, $\dot{\varepsilon }$, accumulated strain, ϵ, relative volumetric compression, RD , and temperature, T , is determined for each impact experiment and presented. The calibrated Mo yield strength values range 1.2–1.8 GPa, with strength generally decreasing as the impact stress increases. This trend is likely caused by thermal softening or strain localization. The tabular yield strength versus loading condition data presented in this paper can be used to fit complex strength models.

Voorhees, T. J. [Sandia National Lab. (SNL-CA), Li↗
DOE OSTI2016

Constitution of Drop-Tube-Generated Coal Chars from Vitrinite- and Inertinite-Rich South African Coals

The structural transformations of coal and the resultant char morphologies are strongly dependent on the initial structure and degree of thermoplasticity achieved during coal-to-char transition. These are a function of petrographic composition, rank, particle size, and heating rate and strongly affect combustion behavior. This study compares the devolatilization and subsequent combustion behavior of an inertinite-rich (87.7% dmmf) and a vitrinite-rich (91.8% dmmf) South African coal, wet-screened to a narrow particle size distribution of 200 x 400 mesh. Pyrolysis chars were generated under rapid-heating conditions (104-105 °C/s) in a drop-tube reactor to closely resemble chars generated in pulverized combustion conditions. The inertinite-rich coal took ~ 400 ms to devolatilize in the drop-tube, compared to only ~ 240 ms for the vitrinite-rich sample. The chemical and physical structure (the constitution) of the chars were investigated through a range of chemical, physical, and optical characteristics including the maceral differences, and high ash yields. To evaluate the combustion reactivity non-isothermal burn-out profiles were obtained through thermogravimetrical analyses (TGA) in air. The vitrinite-rich char had on average 20% higher reaction rates than the inertinite-rich char under the various combustion conditions. The char samples were de-ashed with HCl and HF acid which resulted in an increase in combustion reactivity. The maximum reaction rate of the high-ash (36% ash yield) inertinite-rich char increased with 80% after de-ashing. While the vitrinite-rich char with an ash yield of 15%, had a 20% increase in reactivity after de-ashing. The ash acted as a barrier, and the removal of ash most likely increased the access to reactive surface area. The chemical and physical structures of the chars were characterized through a range of different analytical techniques to quantify the factors contributing to reactivity differences. The morphologies of the chars were characterized with SEM and optical microscopy, while quantitative information on the ordered nature of chars was obtained through XRD on de-ashed chars. The inertinite-rich coal experienced limited fluidity during heat-treatment, resulting in slower devolatilization, limited growth in crystallite height (11.8 to 12.6Å), only rounding of particle edges, and producing > 40% of mixed-dense type chars. The vitrinite-char showed more significant structural transformations; producing mostly (80%) extensively swollen crassisphere, tenuisphere, and network-type chars, and XRD showed a large increase in crystallite height (4.3 to 11.7Å). Nitrogen adsorption and small-angle X-ray scattering (SAXS) were utilized to compare the nitrogen surface areas and pore size distributions. Both chars were mostly mesoporous but the inertinite-rich char had double the average pore size, which also resulted in a larger nitrogen surface area since nitrogen can only access surface areas in larger pores. The BET surface area was 3.9 and 2.7 m2/g for the inertinite- and vitrinite-rich chars respectively. SAXS data showed that the vitrinite-rich char had 60% higher frequencies of pores in the micropore range. Helium porosimetry indicated that the inertinite-rich coal and resultant char had higher densities than the vitrinite coal and char; 1.6 and 2.0 g/cm3, compared to 1.3 and 1.9 g/cm3 (dry basis). Non-isothermal TGA burnout profiles showed the inertinite-rich char had a burnout temperature of 680°C, slightly higher than the vitrinite-rich char’s 650 °C. This, along with the peak shape and position in the burnout profiles indicate that the vitrinite-rich char has a higher reactivity. The higher reactivity is due to a combination of factors likely including less organization, grater porosity and access to the reactive site, less ash blocking, and char morphology differences.

Combustion↗
DOE OSTI2016

Transparent Metal–Organic Framework/Polymer Mixed Matrix Membranes as Water Vapor Barriers

Preventing the permeation of reactive molecules into electronic devices or photovoltaic modules is of significant concern to ensure their life span and reliability. Our report is focused on the formation of highly functioning barrier films based on nanocrystals (NCs) of a water-scavenging metal-organic framework (MOF) and a hydrophobic cyclic olefin copolymer (COC) to overcome the current limitations. Water vapor transmission rates (WVTR) of the films reveal a 10-fold enhancement in the WVTR compared to the substrate while maintaining outstanding transparency over most of the visible and solar spectrum, a necessary condition for integration with optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Adsorption-based membranes for air separation using transition metal oxides

In this work, we use computational modeling to examine the viability of adsorption-based pore-flow membranes for separating gases when a purely size-based separation strategy is ineffective. Using molecular dynamics simulations of O 2 and N 2 , we model permeation through a nanoporous graphene membrane. Permeation is assumed to follow a five-step adsorption-based pathway, with desorption being the rate-limiting step. Using this model, we observe increased selectivity between O 2 and N 2 , resulting from increased adsorption energy differences. We explore the limits of this strategy, providing an initial set of constraints that need to be satisfied to allow for selectivity. Finally, we provide a preliminary exploration of some transition metal oxides that appear to satisfy those conditions. Using density functional theory calculations, we confirm that these oxides possess adsorption energies needed to operate as adsorption-based pore-flow membranes. These adsorption energies provide a suitable motivation to examine adsorption-based pore-flow membranes as a viable option for air separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The Multicenter Aerobic Iron Respiratory Chain of Acidithiobacillus ferrooxidans Functions as an Ensemble with a Single Macroscopic Rate Constant

Electron transfer reactions among three prominent colored proteins in intact cells of Acidithiobacillus ferrooxidans were monitored using an integrating cavity absorption meter that permitted the acquisition of accurate absorbance data in suspensions of cells that scattered light. The concentrations of proteins in the periplasmic space were estimated to be 350 and 25 mg/ml for rusticyanin and cytochrome c, respectively; cytochrome a was present as one molecule for every 91 nm2 in the cytoplasmic membrane. All three proteins were rapidly reduced to the same relative extent when suspensions of live bacteria were mixed with different concentrations of ferrous ions at pH 1.5. The subsequent molecular oxygen-dependent oxidation of the multicenter respiratory chain occurred with a single macroscopic rate constant, regardless of the proteins' in vitro redox potentials or their putative positions in the aerobic iron respiratory chain. The crowded electron transport proteins in the periplasm of the organism constituted an electron conductive medium where the network of protein interactions functioned in a concerted fashion as a single ensemble with a standard reduction potential of 650 mV. The appearance of product ferric ions was correlated with the reduction levels of the periplasmic electron transfer proteins; the limiting first-order catalytic rate constant for aerobic respiration on iron was 7,400 s -1 . The ability to conduct direct spectrophotometric studies under noninvasive physiological conditions represents a new and powerful approach to examine the extent and rates of biological events in situ without disrupting the complexity of the live cellular environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

SU-E-T-770: Tumor Control in Ion Beam Radiotherapy with Different Ions in Presence of Hypoxia

Purpose: The reduced concentration of oxygen in cells (hypoxia) results in a lower cell death rate after irradiation that can lead to treatment failure. The effect can be expressed by the oxygen enhancement ratio (OER). So far, only few attempts to include OER in treatment planning for ion beam therapy were made, which are based on the dose averaged LET estimates and do not distinguish among ion species and fractionation schemes. To overcome these limitations, we implemented a new OER model and used it to estimate tumor control in clinical cases. Methods: The model, based on the microdosimetric kinetic model, was benchmarked with in-vitro data from different ions irradiation. It was included in the simulation of treatments of a set of clinical cases (glioblastoma) using p, Li, He, C and O ion beams. Tumor Control Probability (TCP) was estimated as a function of oxygen partial pressure, dose per fraction and primary ion type. Results: The modelized OER was found to be strongly dependent on both LET and ion type, and showed a decreasing OER for increasing dose per fraction with a slope that depends on the LET and ion type, in good agreement with the experimental data. In the clinical cases studied, an increase in TCP by increasing ion charge and dose per fraction (more than 30% variation from p to O for moderate hypoxia) was found. Higher OER decrease rates as function of dose per fraction were found for lighter ions (up to 20% varying from 2 to 8 Gy(RBE)). Conclusions: A novel modeling of the OER that explicitly includes the dependence on ion type and dose per fraction was implemented. The model was exploited to evaluate the impact of hypoxia in ion beam radiotherapy, facilitating the identification of the treatment condition optimality, including fractionation scheme and ion type.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Simulating Surface and Subsurface Water Balance Changes Due to Burn Severity

Forest fires have a significant impact on hydrology, such as reduced infiltration rates leading to increased flooding. However, post-fire water balance changes and the competing hydrologic response of increased runoff and evapotranspiration as a function of burn severity are not well understood. Comparing pre- and post-fire water balance changes is challenging because measurements of fire-disturbed landscapes with the previously undisturbed character are impractical due to non-repetitive observational conditions. We used a physically based modeling experiment to incorporate burn severity data from the Las Conchas fire to approximate model parameterization to evaluate continuous water balance progression for pre- and post-fire simulations using the same forcing conditions. Fire disturbance decreased evapotranspiration and increased overland flow response to precipitation events. The reduction of evapotranspiration often dominated the new water balance compared with the increase in overland flow, resulting in higher soil moisture. However, this modeling experiment also identified a tipping point where increased overland flow from high burn severity sites eclipses the effect of reduced evapotranspiration on the water balance, causing comparatively drier post-fire soils. In particular, high burn severity sites approach a threshold that results in larger changes to overland flow than changes in evapotranspiration, potentially moving the site to an overland flow dominated regime. The shifts in water balance components have implications for how site conditions will change under a range of burn severity scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Sensor Recommendations for Long Term Monitoring of the F-Area Seepage Basins

In mid-2018, a new paradigm for long-term monitoring was developed after of decade of applied research projects funded by the Department of Energy’s office of Environmental Management Technology Development program. The program at SRNL was focused on transitioning complex environmental waste sites from active to passive remediations strategies. A key result of these studies was that the use of enhanced attenuation approaches at radiologically contaminated sites will result in the creation of secondary source areas in the subsurface that will require monitoring for decades. Alternative monitoring approaches are being developed and tested at the Savannah River Site’s F-Area Hazardous Waste Management Facility, the new paradigm provides innovative solutions that will significantly lower costs of monitoring through the coupling of data collection, machine learning and deterministic groundwater modeling. The foundation of this approach is a well-optimized network of sensors for measuring hydrogeochemical master variables that control, and therefore act as indicators of groundwater contaminant transport. By monitoring changes in the controlling master variables over time arising from geological and environmental shifts, predictive modelling can assist with identifying new strategies for ensuring regulatory requirements are met if trends toward conditions for potential remobilization of attenuated contaminants are detected. In this report, we evaluated commercially available single parameter sensor platforms (e.g., temperature/depth) and configurable multi-parameter sensor platforms (e.g., pH, oxidation-reduction potential, temperature, depth, dissolved oxygen, and conductivity). Each was scored using an optimization function based on how well the system supports the proposed long-term monitoring paradigm, in general, and the site-specific conditions at F-Area, in particular. Several viable sensor systems were identified. Of these, a combined platform including the In-Situ Aqua TROLL 500 multi-parameter sensor platform and the In-Situ temperature/depth sensor had the highest rating and was identified as the most suitable candidate for installation and monitoring of the master variables and potentiometric surface that control groundwater contaminant plumes emanating from the F-Area Seepage Basins. The discussion of recommended potential deployment locations builds upon recommendations made by Denham et al (2019).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

THE QUEST FOR DUSTY STAR-FORMING GALAXIES AT HIGH REDSHIFT z ≳ 4

We exploit the continuity equation approach and “main-sequence” star formation timescales to show that the observed high abundance of galaxies with stellar masses ≳ a few 10{sup 10} M {sub ⊙} at redshift z ≳ 4 implies the existence of a galaxy population featuring large star formation rates (SFRs) ψ ≳ 10{sup 2} M {sub ⊙} yr{sup −1} in heavily dust-obscured conditions. These galaxies constitute the high-redshift counterparts of the dusty star-forming population already surveyed for z ≲ 3 in the far-IR band by the Herschel Space Observatory . We work out specific predictions for the evolution of the corresponding stellar mass and SFR functions out to z ∼ 10, determining that the number density at z ≲ 8 for SFRs ψ ≳ 30 M {sub ⊙} yr{sup −1} cannot be estimated relying on the UV luminosity function alone, even when standard corrections for dust extinction based on the UV slope are applied. We compute the number counts and redshift distributions (including galaxy-scale gravitational lensing) of this galaxy population, and show that current data from the AzTEC - LABOCA , SCUBA-2 , and ALMA - SPT surveys are already addressing it. We demonstrate how an observational strategy based on color preselection in the far-IR or (sub-)millimeter band with Herschel and SCUBA-2 , supplemented by photometric data from on-source observations with ALMA , can allow us to reconstruct the bright end of the SFR functions out to z ≲ 8. In parallel, such a challenging task can be managed by exploiting current UV surveys in combination with (sub-)millimeter observations by ALMA and NIKA2 and/or radio observations by SKA and its precursors.

79 ASTRONOMY AND ASTROPHYSICS↗