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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Effect of plasma voltage on sulfurization of α-MoO{sub 3} nanostructured thin films

In this report, the effect of plasma voltage on plasma assisted sulfurization (PAS) of vertically aligned molybdenum trioxide (α- MoO{sub 3}) nanoflakes (NFs) on glass substrates has been studied systematically. MoO{sub 3} NFs were deposited using plasma assisted sublimation process. These nanoflakes were subjected to H{sub 2}S/Ar plasma at two different plasma voltages 600 and 1000 volts; to study the effect of plasma ionization on degree of sulfurization of MoO{sub 3} into MoS{sub 2}. XRD and Raman analysis show that film sulfurized at 1000 volts have relatively higher degree of conversion into MoS{sub 2}, as more intense peaks of MoS{sub 2} and MoO{sub 2} are obtained than that sulfurized at 600 volts. HRTEM of sulfurized film shows that outer surface of nanoflake has been converted into MoS{sub 2} (4-5 monolayers). Meanwhile, MoO{sub 3} was reduced into MoO{sub 2} as confirmed by XRD and Raman results. All the observed results are well in consonance with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures

Phytochromes (PHYs) are photoreceptor proteins first discovered in plants, where they control a variety of photomorphogenesis events. PHYs as photochromic proteins can reversibly switch between two distinct states: a red light (Pr) and a far-red light (Pfr) absorbing form. The discovery of Bacteriophytochromes (BphPs) in nonphotosynthetic bacteria has opened new frontiers in our understanding of the mechanisms by which these natural photoswitches can control single cell development, although the role of BphPs in vivo remains largely unknown. BphPs are dimeric proteins that consist of a photosensory core module (PCM) and an enzymatic domain, often a histidine kinase. The PCM is composed of three domains (PAS, GAF, and PHY). It holds a covalently bound open-chain tetrapyrrole (biliverdin, BV) chromophore. Upon absorption of light, the double bond between BV rings C and D isomerizes and reversibly switches the protein between Pr and Pfr states. We report crystal structures of the wild-type and mutant (His275Thr) forms of the canonical BphP from the nonphotosynthetic myxobacterium Stigmatella aurantiaca (SaBphP2) in the Pr state. Structures were determined at 1.65 Å and 2.2 Å (respectively), the highest resolution of any PCM construct to date. We also report the room temperature wild-type structure of the same protein determined at 2.1 Å at the SPring-8 Angstrom Compact free electron LAser (SACLA), Japan. Our results not only highlight and confirm important amino acids near the chromophore that play a role in Pr-Pfr photoconversion but also describe the signal transduction into the PHY domain which moves across tens of angstroms after the light stimulus.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Asymmetry in the CME-CME interaction process for the events from 2011 February 14-15

We present a detailed study of the interaction process of two coronal mass ejections (CMEs) successively launched on 2011 February 14 (CME1) and 2011 February 15 (CME2). Reconstructing the three-dimensional shape and evolution of the flux ropes, we verify that the two CMEs interact. The frontal structure of both CMEs, measured along different position angles (PAs) over the entire latitudinal extent, reveals differences in the kinematics for the interacting flanks and the apexes. The interaction process is strongly PA-dependent in terms of timing as well as kinematical evolution. The central interaction occurs along PA-100°, which shows the strongest changes in kinematics. During interaction, CME1 accelerates from ∼400 km s{sup –1} to ∼700 km s{sup –1} and CME2 decelerates from ∼1300 km s{sup –1} to ∼600 km s{sup –1}. Our results indicate that a simplified scenario such as inelastic collision may not be sufficient to describe the CME-CME interaction. The magnetic field structures of the intertwining flux ropes and the momentum transfer due to shocks each play an important role in the interaction process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

DENSE OPTICAL AND NEAR-INFRARED MONITORING OF CTA 102 DURING HIGH STATE IN 2012 WITH OISTER: DETECTION OF INTRA-NIGHT ''ORPHAN POLARIZED FLUX FLARE''

CTA 102, classified as a flat spectrum radio quasar at z = 1.037, produced an exceptionally bright optical flare in 2012 September. Following the Fermi Large Area Telescope detection of enhanced {gamma}-ray activity, we closely monitored this source in the optical and near-infrared bands for the 10 subsequent nights using 12 telescopes in Japan and South Africa. On MJD 56197 (2012 September 27, four to five days after the peak of bright {gamma}-ray flare), polarized flux showed a transient increase, while total flux and polarization angle (PA) remained almost constant during the ''orphan polarized-flux flare.'' We also detected an intra-night and prominent flare on MJD 56202. The total and polarized fluxes showed quite similar temporal variations, but the PA again remained constant during the flare. Interestingly, the PAs during the two flares were significantly different from the jet direction. The emergence of a new emission component with a high polarization degree (PD) up to 40% would be responsible for the observed two flares, and such a high PD indicates the presence of a highly ordered magnetic field at the emission site. We argue that the well-ordered magnetic field and even the observed directions of the PA, which is grossly perpendicular to the jet, are reasonably accounted for by transverse shock(s) propagating down the jet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Younger facial looks are associate with a lower likelihood of several age-related morbidities in the middle-aged to elderly

Abstract Background Looking older for one’s chronological age is associated with a higher mortality rate. Yet it remains unclear how perceived facial age relates to morbidity and the degree to which facial ageing reflects systemic ageing of the human body. Objectives To investigate the association between ΔPA and age-related morbidities of different organ systems, where ΔPA represents the difference between perceived age (PA) and chronological age. Methods We performed a cross-sectional analysis on data from the Rotterdam Study, a population-based cohort study in the Netherlands. High-resolution facial photographs of 2679 men and women aged 51.5–87.8 years of European descent were used to assess PA. PA was estimated and scored in 5-year categories using these photographs by a panel of men and women who were blinded for chronological age and medical history. A linear mixed model was used to generate the mean PAs. The difference between the mean PA and chronological age was calculated (ΔPA), where a higher (positive) ΔPA means that the person looks younger for their age and a lower (negative) ΔPA that the person looks older. ΔPA was tested as a continuous variable for association with ageing-related morbidities including cardiovascular, pulmonary, ophthalmological, neurocognitive, renal, skeletal and auditory morbidities in separate regression analyses, adjusted for age and sex (model 1) and additionally for body mass index, smoking and sun exposure (model 2). Results We observed 5-year higher ΔPA (i.e. looking younger by 5 years for one’s age) to be associated with less osteoporosis [odds ratio (OR) 0.76, 95% confidence interval (CI) 0.62–0.93], less chronic obstructive pulmonary disease (OR 0.85, 95% CI 0.77–0.95), less age-related hearing loss (model 2; B = −0.76, 95% CI −1.35 to −0.17) and fewer cataracts (OR 0.84, 95% CI 0.73–0.97), but with better global cognitive functioning (g-factor; model 2; B = 0.07, 95% CI 0.04–0.10). Conclusions PA is associated with multiple morbidities and better cognitive function, suggesting that systemic ageing and cognitive ageing are, to an extent, externally visible in the human face.

Mekić, Selma↗
DOE OSTI2013

Respiration control of multicellularity in Bacillus subtilis by a complex of the cytochrome chain with a membrane-embedded histidine kinase

Bacillus subtilis forms organized multicellular communities known as biofilms wherein the individual cells are held together by a self-produced extracellular matrix. The environmental signals that promote matrix synthesis remain largely unknown. We discovered that one such signal is impaired respiration. Specifically, high oxygen levels suppressed synthesis of the extracellular matrix. In contrast, low oxygen levels, in the absence of an alternative electron acceptor, led to increased matrix production. The response to impaired respiration was blocked in a mutant lacking cytochromes caa(3) and bc and markedly reduced in a mutant lacking kinase KinB. Mass spectrometry of proteins associated with KinB showed that the kinase was in a complex with multiple components of the aerobic respiratory chain. We propose that KinB is activated via a redox switch involving interaction of its second transmembrane segment with one or more cytochromes under conditions of reduced electron transport. In addition, a second kinase (KinA) contributes to the response to impaired respiration. Evidence suggests that KinA is activated by a decrease in the nicotinamide adenine dinucleotide (NAD(+))/NADH ratio via binding of NAD(+) to the kinase in a PAS domain A-dependent manner. Thus, B. subtilis switches from a unicellular to a multicellular state by two pathways that independently respond to conditions of impaired respiration.

Kolodkin-Gal, I↗
DOE OSTI2024

Electrical control of magnetism by electric field and current-induced torques

The remanent magnetization of ferromagnets has long been studied and used to store binary information. While early magnetic memory designs relied on magnetization switching by locally generated magnetic fields, key insights in condensed matter physics later suggested the possibility of doing it by electrical means instead. In the 1990s, Slonczewski and Berger formulated the concept of current-induced spin torques in magnetic multilayers through which a spin-polarized current generated by a first ferromagnet may be used to switch the magnetization of a second one. This discovery drove the development of spin-transfer-torque magnetic random-access memories (MRAMs). More recent fundamental research revealed other types of current-induced torques named spin-orbit torques (SOTs) and will lead to a new generation of devices including SOT MRAMs and skyrmion-based devices. Parallel to these advances, multiferroics and their magnetoelectric coupling, first investigated experimentally in the 1960s, experienced a renaissance. Dozens of multiferroic compounds with new magnetoelectric coupling mechanisms were discovered and high-quality multiferroic films were synthesized (notably of BiFeO 3 ), also leading to novel device concepts for information and communication technology such as the magnetoelectric spin-orbit (MESO) transistor. The story of the electrical switching of magnetization, which is discussed in this review, is that of a dance between fundamental research (in spintronics, condensed matter physics, and materials science) and technology (MRAMs, MESO transistors, microwave emitters, spin diodes, skyrmion-based devices, components for neuromorphics, etc.). This pas de deux has led to major scientific and technological breakthroughs in recent decades (such as the conceptualization of pure spin currents, the observation of magnetic skyrmions, and the discovery of spin-charge interconversion effects). As a result, this field has not only propelled MRAMs into consumer electronics products but also fueled discoveries in adjacent research areas such as ferroelectrics or magnonics. Here, in this review, recent advances in the control of magnetism by electric fields and by current-induced torques are covered. Fundamental concepts in these two directions are reviewed first, their combination is then discussed, and finally current various families of devices harnessing the electrical control of magnetic properties for various application fields are addressed. The review concludes by giving perspectives in terms of both emerging fundamental physics concepts and new directions in materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Personal Alarm System

Software that runs on smartphones and desktop web browsers and notifies border officials of radiation alarms. It displays images and data associated with an alarm and provides a variety of reports. DOE had a need for discrete notification. PAS replaces the lights and sounds of a Radiation Portal Monitor.

Source record↗
DOE OSTI2021

Quantifying the Uncertainty of the Future Hydrological Impacts of Climate Change: Comparative Analysis of an Advanced Hierarchical Sensitivity in Humid and Semiarid Basins

Comparison and quantification of different uncertainties of future climate change involved in the modeling of a hydrological system are highly important for both hydrological modelers and policy-makers. However, few studies have accurately estimated the relative importance of different sources of uncertainty at different spatiotemporal scales. Here, a hierarchical sensitivity analysis framework (HSAF) incorporated with a variance-based global sensitivity analysis is developed to quantify the spatiotemporal contributions of different uncertainties in hydrological impacts of climate change in two different climatic (humid and semiarid) basins in China. The uncertainty sources include three emission scenarios (ESs), 20 global climate models (GCs), three hydrological models (HMs), and the associated sensitive hydrological parameters (PAs) screened and sampled by the Morris and Latin hypercube sampling methods, respectively. Further, the results indicate that the overall trend of uncertainty is PA > HM > GC > ES, but their uncertainties have discrepancies in projections of different hydrological variables. The HM uncertainty in annual and monthly discharge projections is generally larger than the PA uncertainty in the humid basin than semiarid basin. The PA has greater uncertainty in extreme hydrological event (annual peak discharge) projections than in annual discharge projections for both basins (particularly for the humid basin), but contributes larger uncertainty to annual and monthly discharge projections in the semiarid basin than humid basin. The GC contributes larger uncertainty in all the hydrological variables projections in the humid basin than semiarid basin, while the ES uncertainty is rather limited in both basins. Overall, our results suggest there is greater spatiotemporal variability of hydrological uncertainty in more arid regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Cell fate regulation governed by a repurposed bacterial histidine kinase

One of the simplest organisms to divide asymmetrically is the bacterium Caulobacter crescentus . The DivL pseudo-histidine kinase, positioned at one cell pole, regulates cell-fate by controlling the activation of the global transcription factor CtrA via an interaction with the response regulator (RR) DivK. DivL uniquely contains a tyrosine at the histidine phosphorylation site, and can achieve these regulatory functions in vivo without kinase activity. Determination of the DivL crystal structure and biochemical analysis of wild-type and site-specific DivL mutants revealed that the DivL PAS domains regulate binding specificity for DivK~P over DivK, which is modulated by an allosteric intramolecular interaction between adjacent domains. We discovered that DivL's catalytic domains have been repurposed as a phosphospecific RR input sensor, thereby reversing the flow of information observed in conventional histidine kinase (HK)-RR systems and coupling a complex network of signaling proteins for cell-fate regulation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Structure of an MmyB-Like Regulator from C. aurantiacus , Member of a New Transcription Factor Family Linked to Antibiotic Metabolism in Actinomycetes

Actinomycetes are important bacterial sources of antibiotics and other secondary metabolites. Many antibiotic gene clusters are controlled by pathway-specific activators that act in response to growth conditions. Here we present the crystal structure of an MmyB-like transcription regulator MltR (PDB code 3pxp) (Caur_2278) from Chloroflexus aurantiacus, in complex with a fatty acid (myristic acid). MltR is a distant homolog of the methylenomycin activator MmyB and consists of an Xre-type N-terminal DNA-binding domain and a C-terminal ligand-binding module that is related to the Per-Arnt-Sim (PAS) domain. This structure has enabled identification of a new family of bacterial transcription factors that are distributed predominantly in actinomycetes. Bioinformatics analysis of MltR and other characterized family members suggest that they are likely associated with antibiotic and fatty acid metabolism in actinomycetes. Streptomyces coelicolor SCO4944 is a candidate as an ancestral member of the family. Its ortholog in S. griseus, SGR_6891, is induced by A-factor, a cbutyrolactone that controls antibiotic production and development, and is adjacent to the A-factor synthase gen, afsA. The location of mltR/mmyB homologs, in particular those adjacent to less well-studied antibiotic-related genes, makes them interesting genetic markers for identifying new antibiotic genes. A model for signal-triggered DNA-binding by MltR is proposed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

TANKS 18 AND 19-F STRUCTURAL FLOWABLE GROUT FILL MATERIAL EVALUATION AND RECOMMENDATIONS

Cementitious grout will be used to close Tanks 18-F and 19-F. The functions of the grout are to: (1) physically stabilize the final landfill by filling the empty volume in the tanks with a non compressible material; (2) provide a barrier for inadvertent intrusion into the tank; (3) reduce contaminant mobility by (a) limiting the hydraulic conductivity of the closed tank and (b) reducing contact between the residual waste and infiltrating water; and (4) providing an alkaline, chemically reducing environment in the closed tank to control speciation and solubility of selected radionuclides. The objective of this work was to identify a single (all-in-one) grout to stabilize and isolate the residual radionuclides in the tank, provide structural stability of the closed tank and serve as an inadvertent intruder barrier. This work was requested by V. A. Chander, High Level Waste (HLW) Tank Engineering, in HLW-TTR-2011-008. The complete task scope is provided in the Task Technical and QA Plan, SRNL-RP-2011-00587 Revision 0. The specific objectives of this task were to: (1) Identify new admixtures and dosages for formulating a zero bleed flowable tank fill material selected by HLW Tank Closure Project personnel based on earlier tank fill studies performed in 2007. The chemical admixtures used for adjusting the flow properties needed to be updated because the original admixture products are no longer available. Also, the sources of cement and fly ash have changed, and Portland cements currently available contain up to 5 wt. % limestone (calcium carbonate). (2) Prepare and evaluate the placement, compressive strength, and thermal properties of the selected formulation with new admixture dosages. (3) Identify opportunities for improving the mix selected by HLW Closure Project personnel and prepare and evaluate two potentially improved zero bleed flowable fill design concepts; one based on the reactor fill grout and the other based on a shrinkage compensating flowable fill mix design. (4) Prepare samples for hydraulic property measurements for comparison to the values in the F and H- Tank Farm Performance Assessments (PAs). (5) Identify a grout mix for the Tanks 18-F and 19-F Grout Procurement Specification [Forty, 2011 a, b, c]. Results for two flowable zero bleed structural fill concepts containing 3/8 inch gravel (70070 Series and LP-8 Series) and a sand only mix (SO Series) are provided in this report. Tank Farm Engineering and SRNL Project Management selected the 70070 mix as the base case for inclusion in Revision 0 of the Tanks 18-F and 19-F grout procurement specification [Forty 2011 a] and requested admixture recommendations and property confirmation for this formulation [Forty, 2011 b]. Lower cementitious paste mixes were formulated because the 70070 mix is over designed with respect to strength and generates more heat from hydration reactions than is desirable for mass pour application. Work was also initiated on a modification of the recommended mix which included shrinkage compensation to mitigate fast pathways caused by shrinkage cracking and poor physical bonding to the tank and ancillary equipment. Testing of this option was postponed to FY12.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Variability of K d Values in Cementitious Materials and Sediments

Measured distribution coefficients (K d values) for environmental contaminants provide input data for performance assessments (PA) that evaluate physical and chemical phenomena for release of radionuclides from wasteforms, degradation of engineered components and subsequent transport of radionuclides through environmental media. Research efforts at SRNL to study the effects of formulation and curing variability on the physiochemical properties of the saltstone wasteform produced at the Saltstone Disposal Facility (SDF) are ongoing and provide information for the PA and Saltstone Operations. Furthermore, the range and distribution of plutonium K d values in soils is not known. Knowledge of these parameters is needed to provide guidance for stochastic modeling in the PA. Under the current SRS liquid waste processing system, supernate from F & H Tank Farm tanks is processed to remove actinides and fission products, resulting in a low-curie Decontaminated Salt Solution (DSS). At the Saltstone Production Facility (SPF), DSS is mixed with premix, comprised of blast furnace slag (BFS), Class F fly ash (FA), and portland cement (OPC) to form a grout mixture. The fresh grout is subsequently placed in SDF vaults where it cures through hydration reactions to produce saltstone, a hardened monolithic waste form. Variation in saltstone composition and cure conditions of grout can affect the saltstone's physiochemical properties. Variations in properties may originate from variables in DSS, premix, and water to premix ratio, grout mixing, placing, and curing conditions including time and temperature (Harbour et al. 2007; Harbour et al. 2009). There are no previous studies reported in the literature regarding the range and distribution of K d values in cementitious materials. Presently, the Savannah River Site (SRS) estimate ranges and distributions of K d values based on measurements of K d values made in sandy SRS sediments (Kaplan 2010). The actual cementitious material K d values and solubility values differ from the sandy sediments. The K d value range and distribution currently used in the PA are estimated to range between 0.25*K d and 1.75*K d , where the minimum and maximum values of the ranges reflect the 95% confidence level for the mean K d value (Kaplan 2010). The objective of the research with cementitious materials was to measure the range and distribution of a monovalent (Cs) and I - (anion), divalent (Sr), and trivalent (Eu) ions for a variety of laboratory-prepared saltstone surrogate samples to establish a K d range other than that which is presently used in the PA. It has been observed in laboratory samples that cure temperature profiles can affect properties such as heat of hydration, permeability, porosity, compressive strength, and set time (Harbour et al. 2009). The intent was to identify a range and distribution that could be used by stochastic modelers for the PA. Furthermore, the intent was to replace the arbitrarily selected distributions based on geological sandy sediments and to base it on actual cementitious materials. The scope of this study did not include understanding saltstone sorption mechanisms responsible for increasing or decreasing sorption. Similar to the work with cementitious materials, the purpose of the Pu sediment K d dataset was not to attempt to understand through statistics how to better understand Pu sorption to sediments or to lower Pu K d variance. The sediment Pu K d data is included in this study because it is a key risk driver for the PAs on the SRS, and there is presently no direct studies of Pu variability in SRS soils. Instead the distribution of Pu sediment K d values was assumed to be similar to other cations, as presented by Kaplan (2010).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

2011 Annual Summary Report for the Area 3 and Area 5 Radioactive Waste Management Sites at the Nevada National Security Site, Nye County, Nevada: Review of the Performance Assessments and Composite Analyses

The Maintenance Plan for the Performance Assessments and Composite Analyses for the Area 3 and Area 5 Radioactive Waste Management Sites at the Nevada Test Site (National Security Technologies, LLC, 2007a) requires an annual review to assess the adequacy of the Performance Assessments (PAs) and Composite Analyses (CAs), with the results submitted annually to U.S. Department of Energy (DOE) Office of Environmental Management. The Disposal Authorization Statements for the Area 3 and Area 5 Radioactive Waste Management Sites (RWMSs) also require that such reviews be made and that secondary or minor unresolved issues be tracked and addressed as part of the maintenance plan (DOE, 1999a; 2000).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Idaho Accelerator Center Advanced Fuel Cycle Research

The technical effort has been in two parts called; Materials Science and Instrumentation Development. The Materials Science technical program has been based on a series of research and development achievements in Positron-Annihilation Spectroscopy (PAS) for defect detection in structural materials. This work is of particular importance in nuclear power and its supporting systems as the work included detection of defects introduced by mechanical and thermal phenomena as well as those caused by irradiation damage. The second part of the program has focused on instrumentation development using active interrogation techniques supporting proliferation resistant recycling methodologies and nuclear material safeguards. This effort has also lead to basic physics studies of various phenomena relating to photo-fission.

Wells, Douglas↗
DOE OSTI2022

Integrated Disposal Facility FY2011 Glass Testing Summary Report [Erratum]

Pacific Northwest National Laboratory was contracted by Washington River Protection Solutions, LLC to provide the technical basis for estimating radionuclide release from the engineered portion of the disposal facility (e.g., source term). Vitrifying the low-activity waste at Hanford is expected to generate over 1.6 x 10 5 m 3 of glass (Certa and Wells 2010). The volume of immobilized low-activity waste (ILAW) at Hanford is the largest in the DOE complex and is one of the largest inventories (approximately 8.9 x 10 14 Bq total activity) of long-lived radionuclides, principally 99 Tc (t 1/2 = 2.1 x 10 5 ), planned for disposal in a low-level waste (LLW) facility. Before the ILAW can be disposed, DOE must conduct a performance assessment (PA) for the Integrated Disposal Facility (IDF) that describes the long-term impacts of the disposal facility on public health and environmental resources. As part of the ILAW glass testing program PNNL is implementing a strategy, consisting of experimentation and modeling, in order to provide the technical basis for estimating radionuclide release from the glass waste form in support of future IDF PAs. The purpose of this report is to summarize the progress made in fiscal year (FY) 2011 toward implementing the strategy with the goal of developing an understanding of the long-term corrosion behavior of low-activity waste glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Nevada National Security Site 2011 Waste Management Monitoring Report, Area 3 and Area 5 Radioactive Waste Management Site

Environmental monitoring data are collected at and around the Area 3 and Area 5 Radioactive Waste Management Sites (RWMSs) at the Nevada National Security Site (NNSS). These data are associated with radiation exposure, air, groundwater, meteorology, and vadose zone. This report summarizes the 2011 environmental data to provide an overall evaluation of RWMS performance and to support environmental compliance and performance assessment (PA) activities. Some of these data (e.g., radiation exposure, air, and groundwater) are presented in other reports. Direct radiation monitoring data indicate exposure levels at the RWMSs are within the range of background levels measured at the NNSS. Slightly elevated exposure levels outside the Area 3 RWMS are attributed to nearby historical aboveground nuclear weapons tests. Air monitoring data show tritium concentrations in water vapor and americium and plutonium concentrations in air particles are only slightly above detection limits and background levels. The measured levels of radionuclides in air particulates and moisture are below derived concentration guides for these radionuclides. During the last 2 weeks of March 2011, gamma spectroscopy results for air particles showed measurable activities of iodine-131 ( 131 I), cesium-134 ( 134 Cs), and cesium-137 ( 137 Cs). These results are attributed to the release of fission products from the damaged Fukushima Daiichi power plant in Japan. The remaining gamma spectroscopy results for air particulates collected at the Area 3 and Area 5 RWMS were below minimum detectable concentrations. Groundwater monitoring data indicate the groundwater in the uppermost aquifer beneath the Area 5 RWMS is not impacted by RWMS operations. Results of groundwater analysis from wells around the Area 5 RWMS were all below established investigation levels. The 86.3 millimeters (mm) (3.40 inches [in.]) of precipitation at the Area 3 RWMS during 2011 is 44% below the average of 154.1 mm (6.07 in.), and the 64.8 mm (2.55 in.) of precipitation at the Area 5 RWMS during 2011 is 47% below the average of 122.4 mm (4.82 in.). Water balance measurements indicate that evapotranspiration from the vegetated weighing lysimeter dries the soil and prevents downward percolation of precipitation more effectively than evaporation from the bare-soil weighing lysimeter. Automated vadose zone monitoring on Area 5 RWMS operational waste covers was not done during 2011 due to construction of the final evapotranspiration cover at these monitoring locations. Moisture from precipitation did not percolate below 122 centimeters (4 feet) in the vegetated final mono-layer cover on the U-3ax/bl disposal unit at the Area 3 RWMS before being removed by evapotranspiration. During 2011, there was no drainage through 2.4 meters (8 feet) of soil from the Area 3 drainage lysimeters that received only natural precipitation. Ten percent of the applied precipitation and irrigation drained from the bare-soil drainage lysimeter that received 3 times natural precipitation. All 2011 monitoring data indicate that the Area 3 and Area 5 RWMSs are performing within expectations of the model and parameter assumptions for the facility PAs.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Laboratory and Lysimeter Experimentation and Transport Modeling of Neptunium and Strontium in Savannah River Site Sediments

The Savannah River Site (SRS) conducts performance assessment (PA) calculations to determine the appropriate amount of low-level radiological waste that can be safely disposed on site. Parameters are included in these calculations that account for the interaction between the immobile solid phase and the mobile aqueous phase. These parameters are either the distribution coefficient (K$_{d}$ value) or the apparent solubility value (K$_{sp}$). These parameters are readily found in the literature and are used throughout the DOE complex. One shortcoming of K$_{d}$ values is that they are only applicable to a given set of solid and aqueous phase conditions. Therefore, a given radionuclide may have several K$_{d}$ values as it moves between formations and comes into contact with different solids and different aqueous phases. It is expected that the K$_{d}$ construct will be appropriate to use for a majority of the PA and for a majority of the radionuclides. However, semi-mechanistic models would be more representative in isolated cases where the chemistry is especially transitory or the radionuclide chemistry is especially complex, bringing to bear multiple species of varying sorption tendencies to the sediment. Semi-mechanistic models explicitly accommodate the dependency of K$_{d}$ values, or other sorption parameters, on contaminant concentration, competing ion concentrations, pH-dependent surface charge on the adsorbent, and solute species distribution. Incorporating semi-mechanistic concepts into geochemical models is desirable to make the models more robust and technically defensible. Furthermore, these alternative models could be used to augment or validate a K$_{d}$-based DOE Order 435.1 Performance Assessment. The objectives of this study were to: 1) develop a quantitative thermodynamically-based model for neptunium sorption to SRS sediments, and 2) determine a sorption constant from an SRS 11-year lysimeter study. The modeling studies were conducted with existing data sets. The first data set used laboratory generated Np sorption data as a function of concentration (three orders of magnitude) and as a function of pH (four orders of magnitude of proton concentration). In this modeling exercise, a very simple solution was identified by assuming that all sorption occurred only to the iron oxides in the sediment and that all the added NpO$_{4}$$^{-}$ remained in the oxidized state and was not reduced to the Np(IV) state (as occurs rapidly with Pu(V)). With rather limited input data, very good agreement between experimental and modeling results was observed. This modeling approach would be easy to add to the PA with little additional data requirements. This model would be useful in a system where pH is expected to change greatly, such as directly beneath a grout or concrete structure. The second model discussed in the report was to derive strontium K$_{d}$ values from data collected in an 11-year-old field transport study. In this controlled lysimeter study, a sensitivity analysis was conducted of hydrological and chemical processes that influence contaminant transport, including diffusion coefficients, seepage velocity, and K$_{d}$ value. The best overall K$_{d}$ derived from the model fit to the data was 32 L kg$^{-1}$, which was the same value that was previously measured in traditional laboratory batch sorption studies. This was an unexpected result given the differences in experimental conditions between the batch test and the lysimeter flow through test, in particular the differences between strontium adsorption and desorption processes occurring in the latter test and not in the former. There were some trends in the lysimeter strontium data that were not predicted by the K$_{d}$ model, which suggest that other geochemical processes are likely also controlling strontium transport. Strontium release and cation exchange are being evaluated. These results suggest that future modeling efforts (e.g., PAs) could be improved by employing a more robust semi-empirical modeling approach to transient or complex conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗