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NASA NTRS2013

Bulk Moisture and Salinity Sensor

Measurement and feedback control of nutrient solutions in plant root zones is critical to the development of healthy plants in both terrestrial and reduced-gravity environments. In addition to the water content, the amount of fertilizer in the nutrient solution is important to plant health. This typically requires a separate set of sensors to accomplish. A combination bulk moisture and salinity sensor has been designed, built, and tested with different nutrient solutions in several substrates. The substrates include glass beads, a clay-like substrate, and a nutrient-enriched substrate with the presence of plant roots. By measuring two key parameters, the sensor is able to monitor both the volumetric water content and salinity of the nutrient solution in bulk media. Many commercially available moisture sensors are point sensors, making localized measurements over a small volume at the point of insertion. Consequently, they are more prone to suffer from interferences with air bubbles, contact area of media, and root growth. This makes it difficult to get an accurate representation of true moisture content and distribution in the bulk media. Additionally, a network of point sensors is required, increasing the cabling, data acquisition, and calibration requirements. measure the dielectric properties of a material in the annular space of the vessel. Because the pore water in the media often has high salinity, a method to measure the media moisture content and salinity simultaneously was devised. Characterization of the frequency response for capacitance and conductance across the electrodes was completed for 2-mm glass bead media, 1- to 2-mm Turface (a clay like media), and 1- to 2-mm fertilized Turface with the presence of root mass. These measurements were then used to find empirical relationships among capacitance (C), the dissipation factor (D), the volumetric water content, and the pore water salinity.

Nurge, Mark↗
DOE OSTI2014

Confocal Raman Microscopy for in Situ Detection of Solid-Phase Extraction of Pyrene into Single C 18 –Silica Particles

Solid-phase extraction (SPE) is a well known method for separating and pre concentrating analytes prior to ex-situ detection and quantification. Despite advances in miniaturization of solid-phase extraction, the technique has not evolved to meet the needs for detection in small scale microfluidic devices. While successful efforts have led to smaller scale extractors that allow preconcentration from small volumes, detection within correspondingly small volumes has remained out of reach because of analyte dilution during a post extraction transfer or “wash off” step prior to detection. In this work, successful extraction into sub-picoliter collection volumes is accomplished by using a single chromatographic particle as an extractor; wash off dilution is totally avoided by using confocal Raman microscopy for in-situ detection within the single-particle collection phase. Specifically, micromolar concentrations of pyrene in methanol water solution were equilibrated with an individual C 18 -functionalized silica particle, and Raman spectra were acquired from a small confocal sampling volume (~1 fL) within the particle interior. By comparing the Raman scattering intensity of the pyrene with that of the C 18 -chains in the stationary phase, it was possible to quantify the equilibrium coverage of pyrene relative to the C 18 chains. Spectroscopic isotherms were measured to determine the saturation surface coverage of pyrene relative to C 18 -chains and to study how the preconcentration equilibrium can be controlled by the source-phase solution composition. For extraction from aqueous solutions having the lowest methanol concentration (5% by volume), the preconcentration factor for pyrene into the particle was found to be 4.8 (±0.8) × 10 4 , which allowed detection of pyrene extracted from a 10 nM solution into a 0.52-pL particle volume.

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

Bayesian network ensemble as a multivariate strategy to predict radiation pneumonitis risk

Purpose: Prediction of radiation pneumonitis (RP) has been shown to be challenging due to the involvement of a variety of factors including dose–volume metrics and radiosensitivity biomarkers. Some of these factors are highly correlated and might affect prediction results when combined. Bayesian network (BN) provides a probabilistic framework to represent variable dependencies in a directed acyclic graph. The aim of this study is to integrate the BN framework and a systems’ biology approach to detect possible interactions among RP risk factors and exploit these relationships to enhance both the understanding and prediction of RP. Methods: The authors studied 54 nonsmall-cell lung cancer patients who received curative 3D-conformal radiotherapy. Nineteen RP events were observed (common toxicity criteria for adverse events grade 2 or higher). Serum concentration of the following four candidate biomarkers were measured at baseline and midtreatment: alpha-2-macroglobulin, angiotensin converting enzyme (ACE), transforming growth factor, interleukin-6. Dose-volumetric and clinical parameters were also included as covariates. Feature selection was performed using a Markov blanket approach based on the Koller–Sahami filter. The Markov chain Monte Carlo technique estimated the posterior distribution of BN graphs built from the observed data of the selected variables and causality constraints. RP probability was estimated using a limited number of high posterior graphs (ensemble) and was averaged for the final RP estimate using Bayes’ rule. A resampling method based on bootstrapping was applied to model training and validation in order to control under- and overfit pitfalls. Results: RP prediction power of the BN ensemble approach reached its optimum at a size of 200. The optimized performance of the BN model recorded an area under the receiver operating characteristic curve (AUC) of 0.83, which was significantly higher than multivariate logistic regression (0.77), mean heart dose (0.69), and a pre-to-midtreatment change in ACE (0.66). When RP prediction was made only with pretreatment information, the AUC ranged from 0.76 to 0.81 depending on the ensemble size. Bootstrap validation of graph features in the ensemble quantified confidence of association between variables in the graphs where ten interactions were statistically significant. Conclusions: The presented BN methodology provides the flexibility to model hierarchical interactions between RP covariates, which is applied to probabilistic inference on RP. The authors’ preliminary results demonstrate that such framework combined with an ensemble method can possibly improve prediction of RP under real-life clinical circumstances such as missing data or treatment plan adaptation.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2013

File Specification for GEOS-5 FP (Forward Processing)

The GEOS-5 FP Atmospheric Data Assimilation System (GEOS-5 ADAS) uses an analysis developed jointly with NOAA's National Centers for Environmental Prediction (NCEP), which allows the Global Modeling and Assimilation Office (GMAO) to take advantage of the developments at NCEP and the Joint Center for Satellite Data Assimilation (JCSDA). The GEOS-5 AGCM uses the finite-volume dynamics (Lin, 2004) integrated with various physics packages (e.g, Bacmeister et al., 2006), under the Earth System Modeling Framework (ESMF) including the Catchment Land Surface Model (CLSM) (e.g., Koster et al., 2000). The GSI analysis is a three-dimensional variational (3DVar) analysis applied in grid-point space to facilitate the implementation of anisotropic, inhomogeneous covariances (e.g., Wu et al., 2002; Derber et al., 2003). The GSI implementation for GEOS-5 FP incorporates a set of recursive filters that produce approximately Gaussian smoothing kernels and isotropic correlation functions. The GEOS-5 ADAS is documented in Rienecker et al. (2008). More recent updates to the model are presented in Molod et al. (2011). The GEOS-5 system actively assimilates roughly 2 × 10(exp 6) observations for each analysis, including about 7.5 × 10(exp 5) AIRS radiance data. The input stream is roughly twice this volume, but because of the large volume, the data are thinned commensurate with the analysis grid to reduce the computational burden. Data are also rejected from the analysis through quality control procedures designed to detect, for example, the presence of cloud. To minimize the spurious periodic perturbations of the analysis, GEOS-5 FP uses the Incremental Analysis Update (IAU) technique developed by Bloom et al. (1996). More details of this procedure are given in Appendix A. The assimilation is performed at a horizontal resolution of 0.3125-degree longitude by 0.25- degree latitude and at 72 levels, extending to 0.01 hPa. All products are generated at the native resolution of the horizontal grid. The majority of data products are time-averaged, but four instantaneous products are also available. Hourly data intervals are used for two-dimensional products, while 3-hourly intervals are used for three-dimensional products. These may be on the model's native 72-layer vertical grid or at 42 pressure surfaces extending to 0.1 hPa. This document describes the gridded output files produced by the GMAO near real-time operational FP, using the most recent version of the GEOS-5 assimilation system. Additional details about variables listed in this file specification can be found in a separate document, the GEOS-5 File Specification Variable Definition Glossary. Documentation about the current access methods for products described in this document can be found on the GMAO products page: http://gmao.gsfc.nasa.gov/products/.

GSI↗
DOE OSTI2013

Duodenal Toxicity After Fractionated Chemoradiation for Unresectable Pancreatic Cancer

Purpose: Improving local control is critical to improving survival and quality of life for patients with locally advanced unresectable pancreatic cancer (LAPC). However, previous attempts at radiation dose escalation have been limited by duodenal toxicity. In order to guide future studies, we analyzed the clinical and dosimetric factors associated with duodenal toxicity in patients undergoing fractionated chemoradiation for LAPC. Methods and Materials: Medical records and treatment plans of 106 patients with LAPC who were treated with chemoradiation between July 2005 and June 2010 at our institution were reviewed. All patients received neoadjuvant and concurrent chemotherapy. Seventy-eight patients were treated with conventional radiation to 50.4 Gy in 28 fractions; 28 patients received dose-escalated radiation therapy (range, 57.5-75.4 Gy in 28-39 fractions). Treatment-related toxicity was graded according to Common Terminology Criteria for Adverse Events, version 4.0. Univariate and multivariate analyses were performed to assess prognostic influence of clinical, pathologic, and treatment-related factors by using Kaplan-Meier and Cox regression methods. Results: Twenty patients had treatment-related duodenal toxicity events, such as duodenal inflammation, ulceration, and bleeding. Four patients had grade 1 events, 8 had grade 2, 6 had grade 3, 1 had grade 4, and 1 had grade 5. On univariate analysis, a toxicity grade ≥2 was associated with tumor location, low platelet count, an absolute volume (cm{sup 3}) receiving a dose of at least 55 Gy (V{sub 55} {sub Gy} > 1 cm{sup 3}), and a maximum point dose >60 Gy. Of these factors, only V{sub 55} {sub Gy} ≥1 cm{sup 3} was associated with duodenal toxicity on multivariate analysis (hazard ratio, 6.7; range, 2.0-18.8; P=.002). Conclusions: This study demonstrates that a duodenal V{sub 55} {sub Gy} >1 cm{sup 3} is an important dosimetric predictor of grade 2 or greater duodenal toxicity and establishes it as a dosimetric constraint when treating patients with unresectable pancreatic cancer with concurrent chemoradiation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2011

Helical Tomotherapy Delivery of an IMRT Boost in Lieu of Interstitial Brachytherapy in the Setting of Gynecologic Malignancy: Feasibility and Dosimetric Comparison

Interstitial brachytherapy is an important means by which to improve local control in gynecologic malignancy when intracavitary brachytherapy is untenable. Patients unable to receive brachytherapy have traditionally received conventional external beam radiation alone with modest results. We investigated the ability of Tomotherapy (Tomotherapy Inc., Madison, WI) to replace interstitial brachytherapy. Six patients were selected. The planning CT of each patient was contoured with the planning target volume (PTV), bladder, rectum, femoral heads, and bowel. Identical contour sets were exported to Tomotherapy and Nucletron PLATO (Nucletron B.V., Veenendaal, The Netherlands). With Tomotherapy, the PTV was prescribed 31 Gy in 5 fractions to 90% of the volume. With PLATO, 600 cGy x 5 fractions was prescribed to the surface of the PTV. Dose delivered was normalized to 2 Gy fractions (EQD2) and added to a hypothetical homogenous 45-Gy pelvic dose. Tomotherapy achieved a D90 of 87 Gy EQD2 versus 86 Gy with brachytherapy. PTV dose was more homogeneous with tomotherapy. The dose to the most at-risk 2 mL of bladder and rectum with Tomotherapy was of 78 and 71 Gy EQD2 versus 81 and 75 Gy with brachytherapy. Tomotherapy delivered more dose to the femoral heads (mean 1.23 Gy per fraction) and bowel. Tomotherapy was capable of replicating the peripheral dose achieved with brachytherapy, without the PTV hotspots inherent to interstitial brachytherapy. Similar maximum doses to bowel and bladder were achieved with both methods. Excessive small bowel and femoral head toxicity may result if previous pelvic irradiation is not planned accordingly. Significant challenges related to interfraction and intrafraction motion must be overcome if treatment of this nature is to be contemplated.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2010

Use of a realistic breathing lung phantom to evaluate dose delivery errors

Purpose: To compare the effect of respiration-induced motion on delivered dose (the interplay effect) for different treatment techniques under realistic clinical conditions. Methods: A flexible resin tumor model was created using rapid prototyping techniques based on a computed tomography (CT) image of an actual tumor. Twenty micro-MOSFETs were inserted into the tumor model and the tumor model was inserted into an anthropomorphic breathing phantom. Phantom motion was programed using the motion trajectory of an actual patient. A four-dimensional CT image was obtained and several treatment plans were created using different treatment techniques and planning systems: Conformal (Eclipse), step-and-shoot intensity-modulated radiation therapy (IMRT) (Pinnacle), step-and-shoot IMRT (XiO), dynamic IMRT (Eclipse), complex dynamic IMRT (Eclipse), hybrid IMRT [60% conformal, 40% dynamic IMRT (Eclipse)], volume-modulated arc therapy (VMAT) [single-arc (Eclipse)], VMAT [double-arc (Eclipse)], and complex VMAT (Eclipse). The complex plans were created by artificially pushing the optimizer to give complex multileaf collimator sequences. Each IMRT field was irradiated five times and each VMAT field was irradiated ten times, with each irradiation starting at a random point in the respiratory cycle. The effect of fractionation was calculated by randomly summing the measured doses. The maximum deviation for each measurement point per fraction and the probability that 95% of the model tumor had dose deviations less than 2% and 5% were calculated as a function of the number of fractions. Tumor control probabilities for each treatment plan were calculated and compared. Results: After five fractions, measured dose deviations were less than 2% for more than 95% of measurement points within the tumor model for all plans, except the complex dynamic IMRT, step-and-shoot IMRT (XiO), complex VMAT, and single-arc VMAT plans. Reducing the dose rate of the complex IMRT plans from 600 to 200 MU/min reduced the dose deviations to less than 2%. Dose deviations were less than 5% after five fractions for all plans, except the complex single-arc VMAT plan. Conclusions: Rapid prototyping techniques can be used to create realistic tumor models. For most treatment techniques, the dose deviations averaged out after several fractions. Treatments with unusually complicated multileaf collimator sequences had larger dose deviations. For IMRT treat-ments, dose deviations can be reduced by reducing the dose rate. For VMAT treatments, using two arcs instead of one is effective for reducing dose deviations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Novel spirometry based on optical surface imaging

Purpose: To evaluate the feasibility of using optical surface imaging (OSI) to measure the dynamic tidal volume (TV) of the human torso during free breathing. Methods: We performed experiments to measure volume or volume change in geometric and deformable phantoms as well as human subjects using OSI. To assess the accuracy of OSI in volume determination, we performed experiments using five geometric phantoms and two deformable body phantoms and compared the values with those derived from geometric calculations and computed tomography (CT) measurements, respectively. To apply this technique to human subjects, an institutional review board protocol was established and three healthy volunteers were studied. In the human experiment, a high-speed image capture mode of OSI was applied to acquire torso images at 4–5 frames per second, which was synchronized with conventional spirometric measurements at 5 Hz. An in-house MATLAB program was developed to interactively define the volume of interest (VOI), separate the thorax and abdomen, and automatically calculate the thoracic and abdominal volumes within the VOIs. The torso volume change (TV C = ΔV{sub torso} = ΔV{sub thorax} + ΔV{sub abdomen}) was automatically calculated using full-exhalation phase as the reference. The volumetric breathing pattern (BP{sub v} = ΔV{sub thorax}/ΔV{sub torso}) quantifying thoracic and abdominal volume variations was also calculated. Under quiet breathing, TVC should equal the tidal volume measured concurrently by a spirometer with a conversion factor (1.08) accounting for internal and external differences of temperature and moisture. Another MATLAB program was implemented to control the conventional spirometer that was used as the standard. Results: The volumes measured from the OSI imaging of geometric phantoms agreed with the calculated volumes with a discrepancy of 0.0% ± 1.6% (range −1.9% to 2.5%). In measurements from the deformable torso/thorax phantoms, the volume differences measured using OSI imaging and CT imaging were 1.2% ± 2.1% (range −0.5% to 3.6%), with a linear regression fitting (slope = 1.02 and R{sup 2} = 0.999). In volunteers, the relative error in OSI tidal volume measurement was −2.2% ± 4.9% (range −9.2% to 4.8%) and a correlation of r = 0.98 was found with spirometric measurement. The breathing pattern values of the three volunteers were substantially different from each other (BP{sub v} = 0.15, 0.45, and 0.32). Conclusions: This study demonstrates the feasibility of using OSI to measure breathing tidal volumes and breathing patterns with adequate accuracy. This is the first time that dynamic breathing tidal volume as well as breathing patterns is measured using optical surface imaging. The OSI-observed movement of the entire torso could serve as a new respiratory surrogate in the treatment room during radiation therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Structural and Stratigraphic Controls on Methane Hydrate occurrence and distribution: Gulf of Mexico, Walker Ridge 313 and Green Canyon 955: Final Report

The goal of this project was to determine structural and stratigraphic controls on hydrate occurrence and distribution in Green Canyon (GC) 955 and Walker Ridge (WR) 313 blocks using seismic and well data. Gas hydrate was discovered in these blocks in coarse- and fine-grained sediments during the 2009 Joint Industrial project (JIP) Leg 11 drilling expedition. Although the immediate interest of the exploration community is exclusively hydrate which is present in coarse–grained sediments, factors that control hydrate and free gas distribution in the two blocks and whether coarse and fine-grained hydrate-bearing units are related in any manner, formed the core of this research. The project spanned from 10/01/2012 to 07/31/2016. In the project, in both the leased blocks, the interval spanning the gas hydrate stability zone (GHSZ) was characterized using a joint analysis of sparse Ocean Bottom Seismic (OBS) and dense, surface–towed multichannel seismic (MCS) data. The project team had the luxury of calibrating their results with two well logs. Advance processing methods such as depth migration and full-waveform inversion (FWI) were used for seismic data analysis. Hydrate quantification was achieved through interpretation of the FWI velocity field using appropriate rock physics models at both blocks. The seismic modeling/inversion methodology (common to both GC955 and WR313 blocks) was as follows. First, the MCS data were depth migrated using a P-wave velocity (VP) model constructed using inversion of reflection arrival times of a few (four in both cases) key horizons carefully picked in the OBS data to farthest possible offsets. Then, the resolution of the traveltime VP model was improved to wavelength scale by inverting OBS gathers up to the highest frequency possible (21.75 Hz for GC955 and 17.5 for WR313) using FWI. Finally, the hydrate saturation (or the volume fraction) was estimated at the well location assuming one of the other hydrate morphology (filling the primary or the secondary porosity) was extrapolated out from the wells using the FWI VP as a guide. General outcomes were as follows. First and foremost, an imaging methodology using sparse seismic data, which is easily replicable at other sites with similar datasets, has been demonstrated. The end product of this methodology at both the leased blocks is quantitative estimates of hydrate distribution. Second, at both locations there is strong evidence that the base of the GHSZ, which does not appear as a clear Bottom Simulating Reflection (BSR), manifests in the VP perturbations created by FWI, suggesting that FWI is sensitive to subtle compositional changes in shallow sediments and establishes it as a valuable tool for investigations of hydrate-bearing basins. Third, through joint interpretation of the depth migrated image and the FWI VP model, how structure and stratigraphy jointly determine hydrate and free gas distribution in both blocks could be clearly visualized. The joint interpretation also suggests that the coarse and fine grained hydrate-bearing sediments at both leased are connected. Site specific results, in addition to general results, are as follows. At GC955 the overlying fine-grained hydrate-bearing unit could have been sourced from the underlying hydrate coarse-grained channel-levee complex through a chimney feature. The channel-levee system at GC955 is compartmentalized by faults, of which only a few may be impermeable. Although compartmentalized, the channel-levee system in the GC955 as a whole might be in communication except selected zones. At WR313 the overlying fine-grained fracture-filled hydrate unit appears to be sourced from below the GHSZ. The reason that only a particular fine-grained unit has hydrate, despite having lower porosity that the bounding units, could be the presence of secondary porosity (such as those formed from clay dewatering under compaction). In conclusion, the project was a pioneering effort in in joint analysis of OBS and MCS datasets for advancing the knowledge about a hydrate and free–gas system dynamics using advanced processing methods such as FWI and depth migration. Results obtained in this project can greatly advance the tools and techniques used for delineating specific hydrate prospects. Results obtained in this project can also be seamlessly incorporated into other DOE funded project on modeling the potential productivity and commercial viability of hydrate from sand-dominated reservoirs. The OBS and MCS data in this project were acquired in 2012 (after the JIP II drilling) by the USGS and therefore the results are a posteriori. Nonetheless, the seismic inversion workflow established through this project can be used to generate various what-if quantification scenarios even in absence of logs and serve as a valuable tool for guiding drilling operations. Results from this project can augment other DOE sponsored projects on determining the commercial viability of methane production from the Gulf of Mexico.

03 NATURAL GAS↗
NASA NTRS2007

Supportability Technologies for Future Exploration Missions

Future long-duration human exploration missions will be challenged by resupply limitations and mass and volume constraints. Consequently, it will be essential that the logistics footprint required to support these missions be minimized and that capabilities be provided to make them highly autonomous from a logistics perspective. Strategies to achieve these objectives include broad implementation of commonality and standardization at all hardware levels and across all systems, repair of failed hardware at the lowest possible hardware level, and manufacture of structural and mechanical replacement components as needed. Repair at the lowest hardware levels will require the availability of compact, portable systems for diagnosis of failures in electronic systems and verification of system functionality following repair. Rework systems will be required that enable the removal and replacement of microelectronic components with minimal human intervention to minimize skill requirements and training demand for crews. Materials used in the assembly of electronic systems (e.g. solders, fluxes, conformal coatings) must be compatible with the available repair methods and the spacecraft environment. Manufacturing of replacement parts for structural and mechanical applications will require additive manufacturing systems that can generate near-net-shape parts from the range of engineering alloys employed in the spacecraft structure and in the parts utilized in other surface systems. These additive manufacturing processes will need to be supported by real-time non-destructive evaluation during layer-additive processing for on-the-fly quality control. This will provide capabilities for quality control and may serve as an input for closed-loop process control. Additionally, non-destructive methods should be available for material property determination. These nondestructive evaluation processes should be incorporated with the additive manufacturing process - providing an in-process capability to ensure that material deposited during layer-additive processing meets required material property criteria.

Watson, Kevin↗
DOE OSTI2018

Silicon Carbide Formation Enhanced by In-Situ-Formed Silicon Nitride: An Approach to Capture Thermal Energy of CO-Rich Off-Gas Combustion

Carbothermic smelting of ores to produce metals or alloys in alternating current open/semiclosed and closed submerged arc furnaces, or in closed direct current furnaces, results in large volumes of CO-rich off-gas being generated. Most of the CO-rich off-gas is cleaned and flared on stacks, since the storing of large volumes is problematic due to the associated toxic and explosive risks. Flaring of CO-rich off-gas results in significant wastage of energy. In this study, an alternative method to partially capture the thermal energy associated with off-gas combustion, in the form of silicon carbide (SiC) generated from waste materials (quartz and anthracite fines), is proposed. SiC can partially replace conventional carbonaceous reductants used to produce alloys such as ferrochromium. The influences of quartz and anthracite particle size, treatment temperature, and gaseous atmosphere (nitrogen or air) on SiC formation were investigated. A quartz-anthracite mixture with 90 pct of the particles < 350.9 µm carbothermically treated at 1873.15 K (1600 °C) resulted in almost complete conversion of quartz to SiC in both nitrogen and air atmospheres. The study indicated significant potential for industrial application of the process.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Strain Monitoring of Flexible Structures

One of the biggest challenges facing NASA's deep space exploration goals is structural mass. A long duration transit vehicle on a journey to Mars, for example, requires a large internal volume for cargo, supplies and crew support. As with all space structures, a large pressure vessel is not enough. The vehicle also requires thermal, micro-meteoroid, and radiation protection, a navigation and control system, a propulsion system, and a power system, etc. As vehicles get larger, their associated systems also get larger and more complex. These vehicles require larger lift capacities and force the mission to become extremely costly. In order to build large volume habitable vehicles, with only minimal increases in launch volume and mass, NASA is developing lightweight structures. Lightweight structures are made from non-metallic materials including graphite composites and high strength fabrics and could provide similar or better structural capability than metals, but with significant launch volume and mass savings. Fabric structures specifically, have been worked by NASA off and on since its inception, but most notably in the 1990's with the TransHAB program. These TransHAB developed structures use a layered material approach to form a pressure vessel with integrated thermal and micro-meteoroid and orbital debris (MMOD) protection. The flexible fabrics allow the vessel to be packed in a small volume during launch and expand into a much larger volume once in orbit. NASA and Bigelow Aerospace recently installed the first human-rated inflatable module on the International Space Station (ISS), known as the Bigelow Expandable Activity Module (BEAM) in May of 2016. The module provides a similar internal volume to that of an Orbital ATK Cygnus cargo vehicle, but with a 77% launch volume savings. As lightweight structures are developed, testing methods are vital to understanding their behavior and validating analytical models. Common techniques can be applied to fabric materials, such as tensile testing, fatigue testing, and shear testing, but common measurement techniques cannot be used on fabric. Measuring strain in a material and during a test is a critical parameter for an engineer to monitor the structure during the test and correlate to an analytical model. The ability to measure strain in fabric structures is a challenge for NASA. Foil strain gauges, for example, are commonplace on metallic structures testing, but are extremely difficult to interface with a fabric substrate. New strain measuring techniques need to be developed for use with fabric structures. This paper investigates options for measuring strain in fabric structures for both ground testing and in-space structural health monitoring. It evaluates current commercially available options and outlines development work underway to build custom measurement solutions for NASA's fabric structures.

Litteken, Douglas A.↗
DOE OSTI2012

A Phase II Study of Radiotherapy and Concurrent Paclitaxel Chemotherapy in Breast-Conserving Treatment for Node-Positive Breast Cancer

Purpose: Administering adjuvant chemotherapy before breast radiotherapy decreases the risk of systemic recurrence, but delays in radiotherapy could yield higher local failure. We assessed the feasibility and efficacy of placing radiotherapy earlier in the breast-conserving treatment course for lymph node-positive breast cancer. Methods and Materials: Between June 2000 and December 2004, 44 women with node-positive Stage II and III breast cancer were entered into this trial. Breast-conserving surgery and 4 cycles of doxorubicin (60 mg/m{sup 2})/cyclophosphamide (600 mg/m{sup 2}) were followed by 4 cycles of paclitaxel (175 mg/m{sup 2}) delivered every 3 weeks. Radiotherapy was concurrent with the first 2 cycles of paclitaxel. The breast received 39.6 Gy in 22 fractions with a tumor bed boost of 14 Gy in 7 fractions. Regional lymphatics were included when indicated. Functional lung volume was assessed by use of the diffusing capacity for carbon monoxide as a proxy. Breast cosmesis was evaluated with the Harvard criteria. Results: The 5-year actuarial rate of disease-free survival is 88%, and overall survival is 93%. There have been no local failures. Median follow-up is 75 months. No cases of radiation pneumonitis developed. There was no significant change in the diffusing capacity for carbon monoxide either immediately after radiotherapy (p = 0.51) or with extended follow-up (p = 0.63). Volume of irradiated breast tissue correlated with acute cosmesis, and acute Grade 3 skin toxicity developed in 2 patients. Late cosmesis was not adversely affected. Conclusions: Concurrent paclitaxel chemotherapy and radiotherapy after breast-conserving surgery shortened total treatment time, provided excellent local control, and was well tolerated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Mercury Speciation via Direct Mercury Analyzer

Mercury has no known biological role, but is present in every living thing and widespread in the environment. As mercury enters an aqueous system, it is subject to methylation or demethylation. Methylmercury selectively partitions into biota and biomagnifies through the food chain. Nearly all methylmercury exposures in the U.S. occur through eating fish and shellfish that contain higher levels of methylmercury. Methyl mercury and other organomercury compounds are more toxic than inorganic mercury. Thus, monitoring and understanding mercury speciation are key to effective environmental management. It is particularly important to be able to separate and measure bioaccumulative-toxic species of mercury such as methyl mercury. We are developing a protocol for utilizing the Direct Mercury Analyzer (DMA-80) for mercury speciation of water samples and to monitor methylmercury (meHg). Objectives: - Advance the understanding of the performance of the direct mercury analysis (DMA) under a range of DOE relevant water chemistry conditions to quantify total mercury: - Demonstrate the applicability of DMA to analysis of typical DOE high level liquid 'tank' waste samples using nonradioactive simulants; Test innovative sorbents to extend the range of the direct mercury analyzer to environmental concentration levels. - Perform scoping tests to demonstrate proof of principle for the chemical reduction amalgamation modular microcolumns for mercury speciation: Examine various microcolumn configurations and document speciation performance for typical DOE high level liquid 'tank' waste samples using nonradioactive simulants; Perform tests to examine extending the speciation paradigm to environmental concentration levels. General Method: all samples analyzed using a direct mercury analyzer (DMA 80) which automates the following steps: 1) pyrolysis to release the mercury, 2) catalysis to convert all mercury to elemental, 3) amalgamation to trap the mercury, 4) desorption to release the mercury as a pulse and 5) spectroscopy to detect the mercury.. Instrument analyzes all mercury species in solids and liquids. The DMA 'eliminates' sample preparation, reduces labor, decreases waste, and results in more practical and cost effective methods. To test the performance of the DMA for DOE relevant conditions, we analyzed samples representative of at high (mg/L) tank waste concentrations in water and in diluted tank waste simulant and analyzed samples representative of environmental (ng/L levels) in water. High concentration samples were analyzed directly in the instrument. Low concentration samples were analyzed by concentrating the mercury onto sorbents such as silica thiol or a mixture of silica thiol and copper. The concentration was performed using microcolumns and placing the columns into the DMA (see below) or by mixing the sorbent into the bulk sample and then filtering ad analyzing the filter in the DMA. Speciation Methods: The speciation tests were based on the selective reduction of inorganic mercury ions - Hg{sup (+} {sup or} {sup 2+)} - to elemental mercury - Hg(0). The elemental mercury is then trapped by amalgamation into the metal. These reactions do not impact methyl mercury allowing for separation. All reactions were performed using powdered elemental copper. To demonstrate proof-of-principle for the selective collection of inorganic mercury, samples were exposed to different amounts of powdered copper (and a control with no copper). This was done using microcolumns and a vacuum box. The columns were placed directly on the DMA for analysis. All materials and conditions were tested using solutions of both inorganic mercury and methyl mercury and all trials were in triplicate. Results and Observations: Validated DMA for high concentration Hg samples such as DOE tank waste: - Liquid inHg - samples were stable on autosampler carousel and results were accurate; - Liquid meHg - samples required a stabilizer. Si-Thiol (0.02 g) in the sample boat generated reliable meHg results. Stabilizer can be added for routine operations. Successful 'proof of principal' in extending DMA range to near environmental levels - using both microcolumns and filtration; - Filtration - Adding Si-Thiol (0.5 g) to sample extracted both inHg and meHg and preserved sample. Handling filters was labor intensive. - Microcolumns - best performance using a combination of copper and Si-Thiol - columns clogged and flowed slowly in some cases; - Practical limit may be in the range of 1 to 5 ng/L due to blanks; - Path Forward - Test additional packing materials and methods to improve flow and consistency, and approaches to minimize blanks. Successful 'proof of principal' for Hg speciation using chemical reduction and amalgamation; - Copper microcolumns (0.5 g Cu) selectively trapped inHg for high concentration mercury samples; - Copper microcolumns (0.5 g Cu selectively trapped inHg for large volume samples at environmental concentrations; - Some sorption of me Hg so that separations not quantitative; - Path Forward - test additional packing materials and alternate eluents to better trap inHg and minimize meHg retention in column.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

The effects of staged mixing on the dispersion of reinforcing fillers in elastomer compounds

Kinetically mixed reinforcing fillers are dispersed by accumulated strain. Processing conditions such as mixing geometry, intensity and the duration of mixing are key elements that control accumulated strain. A simple method to modify mechanical mixing is the mixing schedule which involves the timing of filler additions to a compound. For example, it is known that simultaneous addition of oil with filler is disadvantageous to dispersion, while the incorporation of oil after filler addition enhances dispersion. The simplest case of mixing schedule involves timed filler additions into an elastomer, for instance in a single stage or in two-stages. This study reported herein explores the effects of staged mixing on nanoscale dispersion based on a colloidal model. Dispersion is quantified using a pseudo-thermodynamic approach coupled with ultra-small angle X-ray scattering. It was found that single stage mixing yields optimal nano-dispersion for carbon-coated silica and carbon black in polybutadiene using an internal mixer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structure, Stability, and Electronic Properties of Boron Suboxide: A Density Functional Theory Study

Boron suboxide (B 6 O) is a boron-rich compound derived from the α-rhombohedral boron lattice with extreme hardness and unusual semiconducting properties. In this work, density functional theory (DFT) was used to show that unit cell volume, mechanical strength, band gaps, and thermodynamic stabilities of B 6 O were influenced by the interstitial elements and point defects at the icosahedral sites. While the hexagonal unit cell volume (HUCV) varies with interstitial occupancy, it is the icosahedral defect that weakens the intrinsic bulk modulus of B 6 O. Using the hybrid HSE functional, we confirmed that the perfect B 6 O bulk is a p-type semiconductor with a direct band gap of 2.8 eV. Furthermore, by screening α-boron compounds systematically, we found that a simple octet rule may offer a consistent explanation for the variations in the computed electronic structures. The formation free energies calculated over a wide range of temperatures (0–2500 K) and pressures (0–80 GPa) predict that formations of interstitial defects become favorable only at higher temperatures (ca. 1800 K) in bulk B 6 O lattices. The nudged elastic band (NEB) method was employed to identify the minimum energy pathways for the diffusions of dislocated B and O atoms. The diffusion of icosahedral B atoms has an energy barrier of 0.16 eV. More complex B diffusion paths involving the reorganization of icosahedral boron atoms incur higher barriers (>1 eV). In contrast, the diffusion of interstitial O atoms is facile with a barrier of 0.4 eV. Lastly, successive O insertions into the α-B lattice were performed using DFT to generate a basic understanding of the oxidation process. Furthermore, these calculations provide fundamental atomistic insights into the growth of B 6 O crystals and control of their point defects.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Life Cycle Water Consumption and Water Resource Assessment for Utility-Scale Geothermal Systems: An In-Depth Analysis of Historical and Forthcoming EGS Projects

This report is the third in a series of reports sponsored by the U.S. Department of Energy Geothermal Technologies Program in which a range of water-related issues surrounding geothermal power production are evaluated. The first report made an initial attempt at quantifying the life cycle fresh water requirements of geothermal power-generating systems and explored operational and environmental concerns related to the geochemical composition of geothermal fluids. The initial analysis of life cycle fresh water consumption of geothermal power-generating systems identified that operational water requirements consumed the vast majority of water across the life cycle. However, it relied upon limited operational water consumption data and did not account for belowground operational losses for enhanced geothermal systems (EGSs). A second report presented an initial assessment of fresh water demand for future growth in utility-scale geothermal power generation. The current analysis builds upon this work to improve life cycle fresh water consumption estimates and incorporates regional water availability into the resource assessment to improve the identification of areas where future growth in geothermal electricity generation may encounter water challenges. This report is divided into nine chapters. Chapter 1 gives the background of the project and its purpose, which is to assess the water consumption of geothermal technologies and identify areas where water availability may present a challenge to utility-scale geothermal development. Water consumption refers to the water that is withdrawn from a resource such as a river, lake, or nongeothermal aquifer that is not returned to that resource. The geothermal electricity generation technologies evaluated in this study include conventional hydrothermal flash and binary systems, as well as EGSs that rely on engineering a productive reservoir where heat exists, but where water availability or permeability may be limited. Chapter 2 describes the approach and methods for this work and identifies the four power plant scenarios evaluated: a 20-MW EGS binary plant, a 50-MW EGS binary plant, a 10-MW hydrothermal binary plant, and a 50-MW hydrothermal flash plant. The methods focus on (1) the collection of data to improve estimation of EGS stimulation volumes, aboveground operational consumption for all geothermal technologies, and belowground operational consumption for EGS; and (2) the mapping of the geothermal and water resources of the western United States to assist in the identification of potential water challenges to geothermal growth. Chapters 3 and 4 present the water requirements for the power plant life cycle. Chapter 3 presents the results of the current data collection effort, and Chapter 4 presents the normalized volume of fresh water consumed at each life cycle stage per lifetime energy output for the power plant scenarios evaluated. Over the life cycle of a geothermal power plant, from construction through 30 years of operation, the majority of water is consumed by plant operations. For the EGS binary scenarios, where dry cooling was assumed, belowground operational water loss is the greatest contributor depending upon the physical and operational conditions of the reservoir. Total life cycle water consumption requirements for air-cooled EGS binary scenarios vary between 0.22 and 1.85 gal/kWh, depending upon the extent of belowground operational water consumption. The air-cooled hydrothermal binary and flash plants experience far less fresh water consumption over the life cycle, at 0.04 gal/kWh. Fresh water requirements associated with air- cooled binary operations are primarily from aboveground water needs, including dust control, maintenance, and domestic use. Although wet-cooled hydrothermal flash systems require water for cooling, these plants generally rely upon the geofluid, fluid from the geothermal reservoir, which typically has high salinity and total dissolved solids concentration and is much warmer than normal groundwater sources, for their cooling water needs; thus, while there is considerable geofluid loss at 2.7 gal/kWh, fresh water consumption during operations is similar to that of aircooled binary systems. Chapter 5 presents the assessment of water demand for future growth in deployment of utility-scale geothermal power generation. The approach combines the life cycle analysis of geothermal water consumption with a geothermal supply curve according to resource type, levelized cost of electricity (LCOE), and potential growth scenarios. A total of 17 growth scenarios were evaluated. In general, the scenarios that assumed lower costs for EGSs as a result of learning and technological improvements resulted in greater geothermal potential, but also significantly greater water demand due to the higher water consumption by EGSs. It was shown, however, that this effect could be largely mitigated if nonpotable water sources were used for belowground operational water demands. The geographical areas that showed the highest water demand for most growth scenarios were southern and northern California, as well as most of Nevada. In addition to water demand by geothermal power production, Chapter 5 includes data on water availability for geothermal development areas. A qualitative analysis is included that identifies some of the basins where the limited availability of water is most likely to affect the development of geothermal resources. The data indicate that water availability is fairly limited, especially under drought conditions, in most of the areas with significant near- and medium-term geothermal potential. Southern California was found to have the greatest potential for water-related challenges with its combination of high geothermal potential and limited water availability. The results of this work are summarized in Chapter 6. Overall, this work highlights the importance of utilizing dry cooling systems for binary and EGS systems and minimizing fresh water consumption throughout the life cycle of geothermal power development. The large resource base for EGSs represents a major opportunity for the geothermal industry; however, depending upon geology, these systems can require large quantities of makeup water due to belowground reservoir losses. Identifying potential sources of compatible degraded or low-quality water for use for makeup injection for EGS and flash systems represents an important opportunity to reduce the impacts of geothermal development on fresh water resources. The importance of identifying alternative water sources for geothermal systems is heightened by the fact that a large fraction of the geothermal resource is located in areas already experiencing water stress. Chapter 7 is a glossary of the technical terms used in the report, and Chapters 8 and 9 provide references and a bibliography, respectively.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

Tau PET and multimodal brain imaging in patients at risk for chronic traumatic encephalopathy

OBJECTIVE: To characterize individual and group-level neuroimaging findings in patients at risk for Chronic Traumatic Encephalopathy (CTE). METHODS: Eleven male patients meeting criteria for Traumatic Encephalopathy Syndrome (TES, median age: 64) underwent neurologic evaluation, 3-Tesla MRI, and PET with [ 18 F]-Flortaucipir (FTP, tau-PET) and [ 11 C]-Pittsburgh compound B (PIB, amyloid-PET). Six patients underwent [ 18 F]-Fluorodeoxyglucose-PET (FDG, glucose metabolism). We assessed imaging findings at the individual patient level, and in group-level comparisons with modality-specific groups of cognitively normal older adults (CN). Tau-PET findings in patients with TES were also compared to a matched group of patients with mild cognitive impairment or dementia due to Alzheimer's disease (AD). RESULTS: All patients with TES sustained repetitive head injury participating in impact sports, ten in American football. Three patients met criteria for dementia and eight had mild cognitive impairment. Two patients were amyloid-PET positive and harbored the most severe MRI atrophy, FDG hypometabolism, and FTP-tau PET binding. Among the nine amyloid-negative patients, tau-PET showed either mildly elevated frontotemporal binding, a "dot-like" pattern, or no elevated binding. Medial temporal FTP was mildly elevated in a subset of amyloid-negative patients, but values were considerably lower than in AD. Voxelwise analyses revealed a convergence of imaging abnormalities (higher FTP binding, lower FDG, lower gray matter volumes) in frontotemporal areas in TES compared to controls. CONCLUSIONS: Mildly elevated tau-PET binding was observed in a subset of amyloid-negative patients at risk for CTE, in a distribution consistent with CTE pathology stages III-IV. FTP-PET may be useful as a biomarker of tau pathology in CTE but is unlikely to be sensitive to early disease stages.

60 APPLIED LIFE SCIENCES↗