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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

How do Early Age Geopolymers Respond to Gamma Irradiation Exposure? - 19515

Geopolymers have been proposed by the UK nuclear industry as a potential replacement for the currently accepted blend of Portland cement and supplementary cementitious materials, such as fly ash and blast furnace slag. This preferred grouting system is not ideal for the encapsulation of some problematic waste streams, such as oils and reactive metals. Metakaolin based geopolymers have been selected as the alternative grouting system, as this mitigates the supply risk which is currently associated with the supplementary cementitious materials described above. To allow these systems to be used as an alternative nuclear grouting system, the effect of irradiation on the 'neat' grout needs to be understood. The majority of the literature appears to present studies of the irradiation of aged grouts (3 - 7 days). This study will assess samples that have been irradiated at early age curing (20 hours). The effects of clay type and total dose will also be studied, and a comparison between the effects of rotary and flash calcined clays, irradiated to doses up to 1 MGy will be presented. The thermogravimetry data indicates that irradiation promotes the liberation of water and also the formation of carbonate species. The rotary calcined metakaolin liberates more water than the flash calcined metakaolin. Therefore, it is expected that the flash calcined system is more stable to irradiation. (authors)

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

On the variability of the Priestley‐Taylor coefficient over water bodies

Abstract Deviations in the Priestley‐Taylor (PT) coefficient α PT from its accepted 1.26 value are analyzed over large lakes, reservoirs, and wetlands where stomatal or soil controls are minimal or absent. The data sets feature wide variations in water body sizes and climatic conditions. Neither surface temperature nor sensible heat flux variations alone, which proved successful in characterizing α PT variations over some crops, explain measured deviations in α PT over water. It is shown that the relative transport efficiency of turbulent heat and water vapor is key to explaining variations in α PT over water surfaces, thereby offering a new perspective over the concept of minimal advection or entrainment introduced by PT. Methods that allow the determination of α PT based on low‐frequency sampling (i.e., 0.1 Hz) are then developed and tested, which are usable with standard meteorological sensors that filter some but not all turbulent fluctuations. Using approximations to the Gram determinant inequality, the relative transport efficiency is derived as a function of the correlation coefficient between temperature and water vapor concentration fluctuations ( R Tq ). The proposed approach reasonably explains the measured deviations from the conventional α PT = 1.26 value even when R Tq is determined from air temperature and water vapor concentration time series that are Gaussian‐filtered and subsampled to a cutoff frequency of 0.1 Hz. Because over water bodies, R Tq deviations from unity are often associated with advection and/or entrainment, linkages between α PT and R Tq offer both a diagnostic approach to assess their significance and a prognostic approach to correct the 1.26 value when using routine meteorological measurements of temperature and humidity.

Assouline, Shmuel↗
DOE OSTI2011

Corrective Action Decision Document/Closure Report for Corrective Action Unit 106: Area 5, 11 Frenchman Flat Atmospheric Sites, Nevada National Security Site, Nevada, Revision 0

Corrective Action Unit 106 comprises four corrective action sites (CASs): (1) 05-20-02, Evaporation Pond; (2) 05-23-05, Atmospheric Test Site - Able; (3) 05-45-04, 306 GZ Rad Contaminated Area; (4) 05-45-05, 307 GZ Rad Contaminated Area. The purpose of this CADD/CR is to provide justification and documentation supporting the recommendation that no further corrective action is needed for CAU 106 based on the implementation of corrective actions. The corrective action of clean closure was implemented at CASs 05-45-04 and 05-45-05, while no corrective action was necessary at CASs 05-20-02 and 05-23-05. Corrective action investigation (CAI) activities were performed from October 20, 2010, through June 1, 2011, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 106: Areas 5, 11 Frenchman Flat Atmospheric Sites. The approach for the CAI was divided into two facets: investigation of the primary release of radionuclides, and investigation of other releases (mechanical displacement and chemical releases). The purpose of the CAI was to fulfill data needs as defined during the data quality objective (DQO) process. The CAU 106 dataset of investigation results was evaluated based on a data quality assessment. This assessment demonstrated the dataset is complete and acceptable for use in fulfilling the DQO data needs. Investigation results were evaluated against final action levels (FALs) established in this document. A radiological dose FAL of 25 millirem per year was established based on the Industrial Area exposure scenario (2,250 hours of annual exposure). The only radiological dose exceeding the FAL was at CAS 05-45-05 and was associated with potential source material (PSM). It is also assumed that additional PSM in the form of depleted uranium (DU) and DU-contaminated debris at CASs 05-45-04 and 05-45-05 exceed the FAL. Therefore, corrective actions were undertaken at these CASs that consisted of removing PSM and collecting verification samples. Results of verification samples show that remaining soil does not contain contamination exceeding the FALs. Therefore, the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office (NNSA/NSO) provides the following recommendations: (1) No further corrective actions are necessary for CAU 106. (2) A Notice of Completion to NNSA/NSO is requested from the Nevada Division of Environmental Protection for closure of CAU 106. (3) Corrective Action Unit 106 should be moved from Appendix III to Appendix IV of the FFACO.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Preliminary Data Report: Humate Injection as an Enhanced Attenuation Method at the F-Area Seepage Basins, Savannah River Site (U)

A field test of a humate technology for uranium and I-129 remediation was conducted at the F-Area Field Research Site as part of the Attenuation-Based Remedies for the Subsurface Applied Field Research Initiative (ABRS AFRI) funded by the DOE Office of Soil and Groundwater Remediation. Previous studies have shown that humic acid sorbed to sediments strongly binds uranium at mildly acidic pH and potentially binds iodine-129 (I-129). Use of humate could be applicable for contaminant stabilization at a wide variety of DOE sites however pilot field-scale tests and optimization of this technology are required to move this technical approach from basic science to actual field deployment and regulatory acceptance. The groundwater plume at the F-Area Field Research Site contains a large number of contaminants, the most important from a risk perspective being strontium-90 (Sr-90), uranium isotopes, I-129, tritium, and nitrate. Groundwater remains acidic, with pH as low as 3.2 near the basins and increasing to the background pH of approximately 5at the plume fringes. The field test was conducted in monitoring well FOB 16D, which historically has shown low pH and elevated concentrations of Sr-90, uranium, I-129 and tritium. The field test included three months of baseline monitoring followed by injection of a potassium humate solution and approximately four and half months of post monitoring. Samples were collected and analyzed for numerous constituents but the focus was on attenuation of uranium, Sr-90, and I-129. This report provides background information, methodology, and preliminary field results for a humate field test. Results from the field monitoring show that most of the excess humate (i.e., humate that did not sorb to the sediments) has flushed through the surrounding formation. Furthermore, the data indicate that the test was successful in loading a band of sediment surrounding the injection point to a point where pH could return to near normal during the study timeframe. Future work will involve a final report, which will include data trends, correlations and interpretations of laboratory data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1971

Design and Performance of a Gas Chromatograph for Automatic Monitoring of Pollutants in Ambient Air

In recent years, interest in air pollution constituents has focused on carbon monoxide and hydrocarbons as prime components of polluted air. Instrumental methods have been developed, and commercial instruments for continuous monitoring of these components have been available for a number of years. For the measurement of carbon monoxide, non-dispersive infrared spectroscopy has been the accepted tool, in spite of its marginal sensitivity at low parts-per-million levels. For continuously monitoring total hydrocarbons, the hydrogen flame ionization analyzer has been widely accepted as the preferred method. The inadequacy of this latter method became evident when it was concluded that methane is non-reactive and cannot be considered a contaminant even though present at over 1 ppm in the earth's atmosphere. Hence, the need for measuring methane separately became apparent as a means of measuring the reactive and potentially harmful non-methane hydrocarbons fraction. A gas chromatographic method for the measurement of methane and total hydrocarbons which met these requirements has been developed. In this technique, methane was separated on conventional gas chromatographic columns and detected by a hydrogen flame ionization detector (FID) while the total hydrocarbons were obtained by introducing a second sample directly into the FID without separating the various components. The reactive, or non-methane hydrocarbons, were determined by difference. Carbon monoxide was also measured after converting to methane over a heated catalyst to render it detectable by the FID. The development of this method made it possible to perform these measurements with a sensitivity of as much as 1 ppm full scale and a minimum detectability of 20 ppb. Incorporating this technique, criteria were developed by APCO for a second generation continuous automatic instrument for atmospheric monitoring stations.

Villalobos, R.↗
NASA NTRS2015

A Versatile Nonlinear Method for Predictive Modeling

As computational fluid dynamics techniques and tools become widely accepted for realworld practice today, it is intriguing to ask: what areas can it be utilized to its potential in the future. Some promising areas include design optimization and exploration of fluid dynamics phenomena (the concept of numerical wind tunnel), in which both have the common feature where some parameters are varied repeatedly and the computation can be costly. We are especially interested in the need for an accurate and efficient approach for handling these applications: (1) capturing complex nonlinear dynamics inherent in a system under consideration and (2) versatility (robustness) to encompass a range of parametric variations. In our previous paper, we proposed to use first-order Taylor expansion collected at numerous sampling points along a trajectory and assembled together via nonlinear weighting functions. The validity and performance of this approach was demonstrated for a number of problems with a vastly different input functions. In this study, we are especially interested in enhancing the method's accuracy; we extend it to include the second-orer Taylor expansion, which however requires a complicated evaluation of Hessian matrices for a system of equations, like in fluid dynamics. We propose a method to avoid these Hessian matrices, while maintaining the accuracy. Results based on the method are presented to confirm its validity.

nonlinear modeling↗
DOE OSTI2016

Studies of $\Lambda n$ interaction through polarization observables for final-state interactions in exclusive $\Lambda$ photoproduction off the deuteron

Theoretical studies suggest that experimental observables for hyperon production reactions can place stringent constraints on the free parameters of hyperon-nucleon potentials, which are critical for the understanding of hypernuclear matter and neutron stars. Here we present preliminary experimental results for the polarization observables S, Py, Ox, Oz, Cx, and Cz for final-state interactions (FSI) in exclusive L photoproduction off the deuteron. The observables were obtained from data collected during the E06-103 (g13) experiment with the CEBAF Large Acceptance Spectrometer (CLAS) in Hall B at Jefferson Lab. The g13 experiment ran with unpolarized deuteron target and circularly- and linearly-polarized photon beams with energies between 0.5 GeV and 2.5 GeV and collected about 51010 events with multiple charged particles in the final state. To select the reaction of interest, the K+ and the L decay products, a proton and a negative pion, were detected in the CLAS. The missing-mass technique was used to identify exclusive hyperon photoproduction events. Final-state interaction events were selected by requesting that the reconstructed neutron has a momentum larger than 200 MeV/c. The large statistics of E06-103 provided statistically meaningful FSI event samples, which allow for the extraction of one- and two-fold differential single- and double-polarization observables. Here we present preliminary results for a set of six observables for photon energies between 0.9 GeV and 2.3 GeV and for several kinematic variables in the Ln center-of-mass frame. Our results are the very first estimates of polarization observables for FSI in hyperon photoproduction and will be used to constrain the free parameters of hyperon-nucleon potentials.

Ilieva, Yordanka↗
DOE OSTI2015

Genetic Identification of Chinook Salmon: Stock-Specific Distributions of Juveniles along the Washington and Oregon Coasts

Abstract We used microsatellite DNA data and genetic stock identification methods to delineate the temporal and spatial distributions of juvenile Chinook Salmon Oncorhynchus tshawytscha occupying coastal habitats extending from central Oregon to northern Washington. Juveniles were collected in trawl surveys conducted during spring, summer, and autumn over 15 years. Distributions (mean latitude and distance from shore) differed between yearling and subyearling life history types and between stocks; many of these differences were consistent across years. Yearlings were nearly all (98%) from Columbia River sources, and only 6% were naturally produced. In late May, yearlings from the lower Columbia and Willamette rivers were farther north than other yearlings, likely due to the early spring timing of their releases from hatcheries and subsequent out-migration from the Columbia River. However, yearling distributions in late June reflected known migration behaviors. Yearlings from interior Columbia and Snake River sources were farthest north by June, whereas yearlings from other stocks were more spread out in latitude. Subyearlings sampled in early summer were also largely from the Columbia River (98%), but greater percentages of subyearlings from coastal rivers were present during the fall (24%). In contrast to yearlings, natural production accounted for nearly one-third of subyearlings. Subyearlings of most stocks tended to remain relatively near their point of sea entry throughout the summer. Subyearlings from the Snake River fall-run stock and upper Columbia River summer–fall-run stock exhibited diverse distributions that included both southward and northward dispersal. Overall, distributions of Chinook Salmon stocks and life history types reflected differences in migration behavior but also reflected the influence of environmental factors and hatchery practices. Received November 13, 2014; accepted April 15, 2015

Teel, David J.↗
DOE OSTI2015

SU-F-BRA-06: Dose Distributions for the CivaSheet Pd-103 Directional Brachytherapy Device

Purpose: A flexible polymer membrane (CivaSheet) has been developed by CivaTech Oncology, Inc. (Research Triangle Park, NC) for permanent brachytherapy. Distributed throughout the array are small plastic disks containing Pd-103 and gold foil shielding on one side to provide a directional dose distribution and facilitate imaging. This study evaluated dosimetry for the CivaSheet. Methods: Manufacturer-provided dimensional and compositional information for the device were compared to physical samples for validation of design information, then entered into the MCNP6 radiation transport code for dosimetry simulations. Three device sizes (6×6, 6×12, or 6×18 disk-arrays) were simulated as the membrane can be custom-sized preceding surgical placement. Dose to water was estimated with 0.01 cm resolution from the surface to 10 cm on both sides of the device. Because this is a novel device with calibration methods under development, results were normalized using DVHs to provide 90% prescription coverage to a plane positioned 0.5 cm from the front surfaces. This same normalization was used for creating isodose distributions. Results: Planar dose distributions of flat CivaSheets were relatively homogeneous with acceptable dose uniformity variations. Differences in the results between the differently sized CivaSheets were not significant. At 0.5 mm, 87% of the target volume was within the therapeutic dose range. Dose hotspots on the CivaSheet forward surfaces were directly above the disks. However, dose hotspots on the rear-facing surfaces were positioned between the disks. Doses in contact with the front surface were similar to those observed for currently available brachytherapy sources. Maximum doses that occurred on the rear surface were approximately 55 times lower than the dose on the front surface. Conclusion: Monte Carlo calculations validated the directional capabilities and advantageous dosimetry of the new Pd-103 brachytherapy device. It appears feasible to re-size the CivaSheet in the operating room with an acceptable variation in prescription dose. Research was supported by CivaTech Oncology, Inc.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2012

Examination of Surface Residuals Obtained During Re-Lubrication of the International Space Station (ISS) Solar Alpha Rotary Joint (SARJ)

The starboard SARJ mechanism on the ISS suffered a premature lubrication failure, resulting in widespread loss of the nitride case layer on its 10.3 meter circumference, 15-5PH steel race ring [1, 2]. To restore functionality, vacuum-stable grease was applied on-orbit, first to the port SARJ mechanism to save it from the damage suffered by the starboard mechanism. After 3 years of greased operation, telemetry indicated that the port mechanism required relubrication, so part of that process included sampling each of the three race ring surfaces to evaluate any wear debris recovered and the state of the originally applied grease. Extensive microscopic examination was conducted, which directed subsequent microanalysis of particulate. Since the SARJ mechanism operates in the vacuum of space, a sampling method and tool had to be developed for use by astronauts while working in the extravehicular mobility unit (EMU). The sampling tool developed was a cotton terry-cloth mitt for the EMU glove, with samples taken by swiping each of the three port SARJ race-ring surfaces. The sample mitts for each surface were folded inward after sampling to preserve sample integrity, for return and ground analysis. The sample mitt for what is termed the outer canted surface of the SARJ race-ring is shown in Figure 1. Figure 1 also demonstrates how increasing levels of magnification were used to survey the contamination removed in sampling, specifically looking for signs of wear debris or other features which could be further evaluated using Scanning Electron Microscopy (SEM) methods. The most surprising overall result at this point in the analysis was the relatively small amounts of grease recovered during sampling. It is clear that the mechanism was not operating with surplus lubricant. Obviously, evidence of molybdenum disulfide (MoS2), a major component in the grease applied, was prevalent in the analysis conducted. But a small amount of mechanism wear debris was observed. Figure 2 shows an example of a region of concentrated wear debris. Although some MoS2 is observed, most of the contaminant in this location is nitrided 15-5PH steel, as verified by the associated chemical analysis. High oxygen content was also observed which, when associated with the apparent friable nature of the steel material, suggests that this contaminant could be quite old, perhaps even associated with the mechanism s original manufacture and acceptance testing. Additional microscopic

Martinez, J. E.↗
NASA NTRS2013

Kepler Observations of Rapid Optical Variability in the BL Lac Object W2r192+42

We present the first Kepler monitoring of a strongly variable BL Lac, W2R1926+42. The light curve covers 181 days with approx. 0.2% errors, 30 minute sampling and >90% duty cycle, showing numerous delta-I/I > 25% flares over timescales as short as a day. The flux distribution is highly skewed and non-Gaussian. The variability shows a strong rms-flux correlation with the clearest evidence to date for non-linearity in this relation. We introduce a method to measure periodograms from the discrete autocorrelation function, an approach that may be well-suited to a wide range of Kepler data. The periodogram is not consistent with a simple power-law, but shows a flattening at frequencies below 7x10(exp -5) Hz. Simple models of the power spectrum, such as a broken power law, do not produce acceptable fits, indicating that the Kepler blazar light curve requires more sophisticated mathematical and physical descriptions than currently in use.

galaxies↗
DOE OSTI2016

SU-D-BRC-04: Development of Proton Tissue Equivalent Materials for Calibration and Dosimetry Studies

Purpose: To develop new proton tissue equivalent materials (PTEM), urethane and fiberglass based, for proton therapy calibration and dosimetry studies. Existing tissue equivalent plastics are applicable only for x-rays because they focus on matching mass attenuation coefficients. This study aims to create new plastics that match mass stopping powers for proton therapy applications instead. Methods: New PTEMs were constructed using urethane and fiberglass resin materials for soft, fat, bone, and lung tissue. The stoichiometric analysis method was first used to determine the elemental composition of each unknown constituent. New initial formulae were then developed for each of the 4 PTEMs using the new elemental compositions and various additives. Samples of each plastic were then created and exposed to a well defined proton beam at the UF Health Proton Therapy Institute (UFHPTI) to validate its mass stopping power. Results: The stoichiometric analysis method revealed the elemental composition of the 3 components used in creating the PTEMs. These urethane and fiberglass based resins were combined with additives such as calcium carbonate, aluminum hydroxide, and phenolic micro spheres to achieve the desired mass stopping powers and densities. Validation at the UFHPTI revealed adjustments had to be made to the formulae, but the plastics eventually had the desired properties after a few iterations. The mass stopping power, density, and Hounsfield Unit of each of the 4 PTEMs were within acceptable tolerances. Conclusion: Four proton tissue equivalent plastics were developed: soft, fat, bone, and lung tissue. These plastics match each of the corresponding tissue’s mass stopping power, density, and Hounsfield Unit, meaning they are truly tissue equivalent for proton therapy applications. They can now be used to calibrate proton therapy treatment planning systems, improve range uncertainties, validate proton therapy Monte Carlo simulations, and assess in-field and out-of-field organ doses.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

OSSOS. VIII. The Transition between Two Size Distribution Slopes in the Scattering Disk

The scattering trans-Neptunian Objects (TNOs) can be measured to smaller sizes than any other distant small-body population. We use the largest sample yet obtained, 68 discoveries, primarily by the Outer Solar System Origins Survey (OSSOS), to constrain the slope of its luminosity distribution, with sensitivity to much fainter absolute H-magnitudes than previous work. Using the analysis technique in Shankman et al., we confirm that a single slope for the H-distribution is not an accurate representation of the scattering TNOs and Centaurs, and that a break in the distribution is required, in support of previous conclusions. A bright-end slope of α {sub b} = 0.9 transitioning to a faint-end slope α {sub f} of 0.4–0.5 with a differential number contrast c from 1 (a knee) to 10 (a divot) provides an acceptable match to our data. We find that break magnitudes H {sub b} of 7.7 and 8.3, values both previously suggested for dynamically hot Kuiper Belt populations, are equally non-rejectable for a range of α {sub f} and c in our statistical analysis. Our preferred divot H-distribution transitions to α {sub f} = 0.5 with a divot of contrast c = 3 at H {sub b} = 8.3, while our preferred knee H-distribution transitions to α {sub f} = 0.4 at H {sub b} = 7.7. The intrinsic population of scattering TNOs required to match the OSSOS detections is 3 × 10{sup 6} for H {sub r} < 12, and 9 × 10{sup 4} for H {sub r} < 8.66 (D ≳ 100 km), with Centaurs having an intrinsic population two orders of magnitude smaller.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Search for a supersymmetric partner to the top quark in final states with jets and missing transverse momentum at s = 7 TeV with the ATLAS detector

CERN-LHC. Study of final states with at least six jets and large missing transverse energy from proton-proton interactions at a centre-of-mass energy of 7 TeV. The data sample with a total integrated luminosity of 4.7 fb-1 was collected during 2011. Events are required to have at least one jet with PT > 130 GeV and at least another five with PT > 30 GeV all within the pseudorapidity range -2.8-2.8. Two signal regions are defined one with missing ET > 150 GeV (SRA) and a second with missing ET > 260 GeV (SRB). Events with isolated electrons or muons are rejected. See the text of the paper for more details. The results are analysed in terms of direct pair production of supersymmetric top quarks (STOP_1) assuming their decay into a top quark and the lightest SUSY particle (LSP), a neutralino. Cross sections, Number of generated events, Acceptances and Efficiencies are presented here for both signal regions as functions of the STOP and NEUTRALINO masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Phase I Investigations at the Former CCC/USDA Grain Storage Facility in Montgomery City, Missouri, in 2010-2011

This report presents the technical findings of Phase I of Argonne’s studies. The Phase I field investigation was initiated on October 18, 2010. The work was conducted in accord with (1) the final site-specific Phase I Work Plan for Montgomery City (Argonne 2010; approved by the MDNR [2010]); (2) applicable Missouri regulations; and (3) the standard operating procedures, quality assurance/quality control (QA/QC) measures, and general health and safety policies outlined in the Master Work Plan (Argonne 2002) for operations in Kansas, which was reviewed by the MDNR and accepted for current use. A draft master plan specific to work in Missouri and a set of draft standard operating procedures are in review with the MDNR. The site-specific Work Plan for Montgomery City (Argonne 2010) (1) summarizes the pre-existing knowledge base for the Montgomery City investigation site compiled by Argonne and (2) describes the site-specific technical objectives and the intended scope of work developed for the first phase of the investigation. Three primary technical objectives were identified for the Phase I studies, as follows: 1. Update the presently identified inventory and status of private and public drinking water wells in the immediate vicinity of the former CCC/USDA grain storage facility, and sample the identified wells for volatile organic compounds (VOCs) and geochemical analyses. In conjunction with this effort, determine the present sources(s) of drinking water for all residents in an approximate 0.5-mi radius of the former CCC/USDA facility. 2. Investigate for possible evidence of a soil source of carbon tetrachloride contamination in the unconsolidated sediments beneath the former CCC/USDA facility that might affect the underlying bedrock aquifer units. 3. Obtain preliminary information on the site-specific lithologic and hydrologic characteristics of the unconsolidated sediments overlying bedrock at the former CCC/USDA grain storage location. Section 2 of this report describes the investigative methods used in the 2010-2011 studies and provides a chronological summary of the field events conducted. Section 3 presents a summary of the resulting field and laboratory data. These data, together with information presented in the site-specific Work Plan (Argonne 2010), are interpreted and integrated in Section 4 to (1) develop a preliminary conceptual model of the hydrogeologic framework affecting groundwater and potential contaminant migration in the vicinity of the former CCC/USDA facility and (2) serve as a basis for the initial consideration of contaminant levels and potential exposure pathways that might be of concern in the evaluation of risks to human health, public welfare, and the environment. The working conclusions drawn from the 2010-2011 studies are presented, along with recommendations, in Section 5.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Analysis of the presence of perfluoroalkyl substances in water, sediment and biota of the Jucar River (E Spain). Sources, partitioning and relationships with water physical characteristics

The presence, sources and partitioning of 21 perfluoroalkyl substances (PFASs: C4–C14, C16, C18 carboxylate, C4, C6–C10 sulfonates and C8 sulfonamide) were assessed in water, sediment, and biota of the Jucar River basin (E Spain). Considering the three matrices, perfluoropentanoate (PFPeA) and perfluorooctane sulfonate (PFOS) were the most frequent compounds, being remarkable the high occurrence of short-chain PFASs (C≤8), which are intended to replace the long-chain ones in several industrial and commercial applications. In general, all samples were contaminated with at least one PFAS, with the exception of three fish samples. Mean concentrations detected in sediments (0.22–11.5 ng g{sup −1}) and biota (0.63–274 µg kg{sup −1}) samples were higher than those measured in water (0.04–83.1 ng L{sup −1}), which might suggest (bio) accumulation. The occurrence of PFAS is related to urban and industrial discharges (Cuenca city in the upper part of basin, and car's factory, and effluents of the sewage treatment plant (STP) of Alzira, in the lower part). Increasing pollution gradients were found. On the other hand, higher contamination levels were observed after regulation dams of the catchment pointing out their importance in the re-distribution of these contaminants. None of the hazard quotients (HQ) calculated indicate potential risk for the different tropic levels considered (algae, Daphnia sp. and fish). PFAS concentrations found in this study can be considered in acceptable levels if compared to existing Regulatory Legislation and, consequently, they do not pose an immediate human health risk. - Highlights: • Distribution of 21 PFASs in water, sediment, biota of Jucar River is established. • PFPeA and PFOS are the predominant but high PFDA levels are related to industry. • PFASs in water and sediment related to the increase in NaCl, conductivity and TDS. • PFAS concentration in sediment/biota suggests (bio)accumulation. • None of the calculated HQs indicate potential risk for the different tropic levels.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Alicyclic carboxylic acids in soil humic acid as detected with ultrahigh resolution mass spectrometry and multi-dimensional NMR

It has been well accepted that humic acids in soils comprise both aromatic and aliphatic structural units that harbor mainly oxygenated functional groups such as carboxylic acids, aldehydes, ketones, and hydroxyl groups. Recent mass spectral data obtained from electrospray ionization-Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS) suggest that the main functional groups in humic acids are carboxylic acids bound to both alicyclic and condensed aromatic molecules. It was suggested that these structural entities originate from oxidation of lignin. To provide additional support, detailed structural characteristics were obtained here using several multi-dimensional nuclear magnetic resonance (NMR) techniques to observe the molecular connectivity of humic acid components, with a focus on carboxylic acids in particular. The humic acid sample examined had been shown to exhibit structural characteristics similar to a larger set of soil humic acids. Here in this study, many carboxylic acid resonances were found to correlate with protons that could be assigned to aliphatic and alicyclic chemical shift regions. Functional groups with heteroatoms such as alcohols, some olefins and an assortment of methyl groups were found to correlate within 2–3 bonds of carboxylic acid groups. The collection of structural components and their proximity to a variety of carboxylic groups supports the occurrence of carboxylated alicyclic molecules as important elements of the aliphatic portion of soil humic acids and a pathway from lignin is consistent with recent findings.

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

SU-E-T-175: Clinical Evaluations of Monte Carlo-Based Inverse Treatment Plan Optimization for Intensity Modulated Radiotherapy

Purpose: Pencil-beam or superposition-convolution type dose calculation algorithms are routinely used in inverse plan optimization for intensity modulated radiation therapy (IMRT). However, due to their limited accuracy in some challenging cases, e.g. lung, the resulting dose may lose its optimality after being recomputed using an accurate algorithm, e.g. Monte Carlo (MC). It is the objective of this study to evaluate the feasibility and advantages of a new method to include MC in the treatment planning process. Methods: We developed a scheme to iteratively perform MC-based beamlet dose calculations and plan optimization. In the MC stage, a GPU-based dose engine was used and the particle number sampled from a beamlet was proportional to its optimized fluence from the previous step. We tested this scheme in four lung cancer IMRT cases. For each case, the original plan dose, plan dose re-computed by MC, and dose optimized by our scheme were obtained. Clinically relevant dosimetric quantities in these three plans were compared. Results: Although the original plan achieved a satisfactory PDV dose coverage, after re-computing doses using MC method, it was found that the PTV D95% were reduced by 4.60%–6.67%. After re-optimizing these cases with our scheme, the PTV coverage was improved to the same level as in the original plan, while the critical OAR coverages were maintained to clinically acceptable levels. Regarding the computation time, it took on average 144 sec per case using only one GPU card, including both MC-based beamlet dose calculation and treatment plan optimization. Conclusion: The achieved dosimetric gains and high computational efficiency indicate the feasibility and advantages of the proposed MC-based IMRT optimization method. Comprehensive validations in more patient cases are in progress.

60 APPLIED LIFE SCIENCES↗