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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 OSTI2018

Elevated blood pressure and household solid fuel use in premenopausal women: Analysis of 12 Demographic and Health Surveys (DHS) from 10 countries

Highlights: • We obtained data from 12 standard DHS conducted in ten countries. • Data were nationally representative and internationally comparable. • We assessed the link between household cooking fuel and BP in women aged 15-49 years. • Dirty fuel use was linked with raised BP and hypertension, mainly in rural women. • Using cleaner fuels may reduce hypertension related morbidity and mortality in L/MIC. Approximately three billion people are exposed to household air pollution (HAP) from solid fuel cookstoves. Studies from single settings have linked HAP with elevated blood pressure (BP), but no evidence exists from multi-country analyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Cellular and Tumor Radiosensitivity is Correlated to Epidermal Growth Factor Receptor Protein Expression Level in Tumors Without EGFR Amplification;Epidermal growth factor receptor; Radiotherapy; Squamous cell carcinoma; Biomarker; Local tumor control

Purpose: There is conflicting evidence for whether the expression of epidermal growth factor receptor in human tumors can be used as a marker of radioresponse. Therefore, this association was studied in a systematic manner using squamous cell carcinoma (SCC) cell lines grown as cell cultures and xenografts. Methods and Materials: The study was performed with 24 tumor cell lines of different tumor types, including 10 SCC lines, which were also investigated as xenografts on nude mice. Egfr gene dose and the length of CA-repeats in intron 1 were determined by polymerase chain reaction, protein expression in vitro by Western blot and in vivo by enzyme-linked immunosorbent assay, and radiosensitivity in vitro by colony formation. Data were correlated with previously published tumor control dose 50% data after fractionated irradiation of xenografts of the 10 SCC. Results: EGFR protein expression varies considerably, with most tumor cell lines showing moderate and only few showing pronounced upregulation. EGFR upregulation could only be attributed to massive gene amplification in the latter. In the case of little or no amplification, in vitro EGFR expression correlated with both cellular and tumor radioresponse. In vivo EGFR expression did not show this correlation. Conclusions: Local tumor control after the fractionated irradiation of tumors with little or no gene amplification seems to be dependent on in vitro EGFR via its effect on cellular radiosensitivity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Carboxylic Group Rotation and Lattice Expansion in a Co 2 (Pyrazine-2,3-Dicarboxylate) 2 (4,4'-Bipyridine) Porous Coordination Polymer Induced by CO 2 Adsorption at Ambient Temperature

Here, a Co 2 (pzdc) 2 (bpy)(H 2 O) m (pzdc: pyrazine-2,3dicarboxylate; bpy: 4,4'-bipyridine) porous coordination polymer (PCP) was studied for CO 2 uptake and concomitant structural changes at ambient temperature. Extended structural characterization included evaluation of lattice parameter changes upon CO 2 adsorption and in situ synchrotron X-ray powder diffraction data. The PCP effective pore size increased by ~2% with gas uptake over the pressure range of 1-50 atm, allowing the adsorption capacity to double. Furthermore, the hysteretic behaviors seen during CO 2 adsorption at moderate pressures are commensurate with the structural changes from synchrotron data. The adsorption and hysteresis occur with rotation of the linking carboxylate groups, and yet only minor changes in unit cell volume (ΔV ≈ 6 Å 3 ) are observed. This contrasts the findings for [Cu 2 (pzdc) 2 (bpy)] n , where a combination of pillar bpy rotations and significant lattice expansion (ΔV ≈ 68 Å(3)) takes place upon hysteretic adsorption of CO 2 . In situ high-temperature X-ray diffraction revealed that the Co(II)-based material has good thermal stability up to ca. 200° C. Finally, the CO 2 uptake also appears to be at a physisorption level, with adsorbent-adsorbate interactions that are ca. 30% stronger than what has been reported for CO 2 adsorption onto [Cu 2 (pzdc) 2 (bpy)] n .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dioxygen Activation Kinetics over Distinct Cu Site Types in Cu-Chabazite Zeolites

Cu-exchanged zeolites activate dioxygen to form active sites for partial methane oxidation (PMO), nitrogen oxide decomposition, and carbon monoxide oxidation. Apparent rates of O 2 activation depend both on the intrinsic kinetics of distinct Cu site types and the distributions of such sites within a given zeolite, which depend on the density and arrangement of the framework Al atoms. In this work, we use hydrothermal synthesis methods to control the arrangement of framework Al sites in chabazite (CHA) zeolites and, in turn, the distinct Cu site types formed. Time-resolved in situ Raman spectroscopy reveals the kinetics of O 2 adsorption and activation within these well-defined Cu-CHA materials and the concomitant structural evolution of copper–oxygen (Cu x O y ) complexes, which are interpreted alongside Cu(I) oxidation kinetics extracted from in situ X-ray absorption spectroscopy (XAS). Raman spectra of several plausible Cu x O y species simulated using density functional theory suggest that experimental spectra (λ ex = 532 nm) capture the formation of mono(μ-oxo)dicopper species (ZCuOCuZ). Transient experiments show that the timescales required to form Cu x O y structures that no longer change in Raman spectra correspond to the durations of oxidative treatments that maximize CH 3 OH yields in stoichiometric PMO cycles (approximately 2 h). Yet, these periods extend well beyond the timescales for the complete conversion of the initial Cu(I) intermediates to their Cu(II) states (<0.3 h, reflected in X-ray absorption near edge spectroscopy spectra), which demonstrates that Cu x O y complexes continue to evolve structurally following rapid Cu(I) oxidation. The dependence of ZCuOCuZ formation rates on O 2 pressure, H 2 O pressure, and temperature is consistent with a mechanism in which ZCuOH reduces to form ZCu + sites that bind molecular oxygen and form ZCu-O 2 intermediates. Subsequent reaction with proximate ZCu + forms bridging peroxo dicopper complexes that cleave O–O bonds to form ZCuOCuZ in steps facilitated by water. These data and interpretations provide evidence for the chemical processes that link rapid and kinetically irrelevant Cu oxidation steps (frequently probed by XAS and UV–vis spectroscopy) to the relatively slow genesis of reactive Cu complexes that form CH 3 OH during PMO. In doing so, we reveal previously unrecognized complexities in the processes by which Cu ions in zeolites activate O 2 to form active Cu x O y complexes, which underscore the insight afforded by judicious combinations of experimental and theoretical techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Association Between Injection and Microseismicity in Geothermal Fields With Multiple Wells: Data-Driven Modeling of Rotokawa, New Zealand, and Húsmúli, Iceland

Understanding injection-induced microseismicity in geothermal systems can provide insight into reservoir connectedness. However, fault and reservoir complexity are difficult to represent in simple analytical models, which makes it difficult to discern clear relationships from incidental associations. Here, we have used data-driven models to study how fluid injection and microseismicity are related in the Rotokawa (New Zealand) and Hellisheiði (Iceland) geothermal fields. We tested two classes of model: (a) lagged linear regression of seismicity rate as a function of well injection rates; and (b) systematic extraction of injection time series features that are then evaluated for associations with the seismicity. These models allowed us to determine which wells had the greatest correlation with microseismicity and to explain this association in a reservoir context. Finally, exploring different data types and transformations, we were unable to establish a link between rapid changes in injection rate and seismicity spikes, as suggested by some theoretical models.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Quantifying Groundwater Response and Uncertainty in Beaver‐Influenced Mountainous Floodplains Using Machine Learning‐Based Model Calibration

Abstract Beavers ( Castor canadensis ) alter river corridor hydrology by creating ponds and inundating floodplains, and thereby improving surface water storage. However, the impact of inundation on groundwater, particularly in mountainous alluvial floodplains with permeable gravel/cobble layers overlain by a soil layer, remains uncertain. Numerical modeling across various floodplain structures considers topographic and sediment complexity and multidirectional flow, linking inundation to groundwater response. This study develops a model‐data integration workflow to address uncertainty in groundwater response to beaver‐induced inundations in a mountainous alluvial floodplain in the Upper Colorado River Basin. Uncertain factors include seasonal hydrologic dynamics, hydraulic conductivities, floodplain structures, and meteorological forcings. We employed an ensemble of groundwater models, based on geophysical and hydrologic data, with machine learning‐based calibration using a neural density estimator. This allowed us to quantify the vertical flux from the soil layer to the permeable gravel bed, the down‐valley underflow within the gravel bed, and their ratios. Results show a significant increase in the vertical flux relative to down‐valley underflow, from 2 during dry pond periods to 20 during wet periods, serving as an analogy for conditions without and with beaver ponds. The study highlights the influence of floodplain structure on groundwater storage, water balance, and water quality impacted by beaver ponds. A thick gravel bed layer, with a large down‐valley underflow, minimizes the effect of beaver‐induced inundation on water quality. We emphasize the need for field‐scale measurements of floodplain structure and improved characterization of evapotranspiration changes to reduce uncertainty in groundwater response. Plain Language Summary Beavers change the flow of water in river corridors by creating ponds, expanding wetlands, and flooding floodplains. This increases surface water area, promotes plant growth, and enhances biodiversity. However, the impact of this flooding on groundwater flow is not well understood, especially in mountainous areas with gravel layers where water moves easily beneath soil. In this study, we used numerical modeling to investigate how beaver ponds influence groundwater in a mountainous floodplain of the Upper Colorado River Basin. We adapted a machine learning method to validate our numerical models using multiple field data sets. Our findings show that beaver ponds significantly increase vertical water flow from the soil to the gravel during wet periods, compared to when the ponds are fully drained. The study also highlights the importance of floodplain structure in controlling both water flow in gravel layers along the river direction and vertical flow from the soil to the gravel with the presence of beavers. To reduce uncertainty in groundwater response, we emphasize the need for more field‐scale measurements of floodplain structure, hydraulic properties, and evapotranspiration changes. Key Points Floodplain structures and hydraulic conductivities are important for groundwater response with beaver ponds in mountainous floodplains Large down‐valley underflow in permeability‐stratified floodplains reduces beaver‐induced impacts on groundwater storage and water quality Machine learning‐based model calibration methods are effective for estimating posterior distributions of groundwater model parameters

Wang, Lijing↗
DOE OSTI2015

Finding evidence for density fluctuation effects on electron cyclotron heating deposition profiles on DIII-D

Theoretical work, computation, and results from TCV [J. Decker “Effect of density fluctuations on ECCD in ITER and TCV,” EPJ Web of Conf. 32, 01016 (2012)] suggest that density fluctuations in the edge region of a tokamak plasma can cause broadening of the ECH deposition profile. In this paper, a GUI tool is presented which is used for analysis of ECH deposition as a first step towards looking for this broadening, which could explain effects seen in previous DIII-D ECH transport studies [K.W. Gentle “Electron energy transport inferences from modulated electron cyclotron heating in DIII-D,” Phys. Plasmas 13, 012311 (2006)]. By applying an FFT to the T{sub e} measurements from the University of Texas’s 40-channel ECE Radiometer, and using a simplified thermal transport equation, the flux surface extent of ECH deposition is determined. The Fourier method analysis is compared with a Break-In-Slope (BIS) analysis and predictions from the ray-tracing code TORAY. Examination of multiple Fourier harmonics and BIS fitting methods allow an estimation of modulated transport coefficients and thereby the true ECH deposition profile. Correlations between edge fluctuations and ECH deposition in legacy data are also explored as a step towards establishing a link between fluctuations and deposition broadening in DIII-D.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Equity and modeling in sustainability science: Examples and opportunities throughout the process

Equity is core to sustainability, but current interventions to enhance sustainability often fall short in adequately addressing this linkage. Models are important tools for informing action, and their development and use present opportunities to center equity in process and outcomes. This Perspective highlights progress in integrating equity into systems modeling in sustainability science, as well as key challenges, tensions, and future directions. We present a conceptual framework for equity in systems modeling, focused on its distributional, procedural, and recognitional dimensions. We discuss examples of how modelers engage with these different dimensions throughout the modeling process and from across a range of modeling approaches and topics, including water resources, energy systems, air quality, and conservation. Synthesizing across these examples, we identify significant advances in enhancing procedural and recognitional equity by reframing models as tools to explore pluralism in worldviews and knowledge systems; enabling models to better represent distributional inequity through new computational techniques and data sources; investigating the dynamics that can drive inequities by linking different modeling approaches; and developing more nuanced metrics for assessing equity outcomes. We also identify important future directions, such as an increased focus on using models to identify pathways to transform underlying conditions that lead to inequities and move toward desired futures. By looking at examples across the diverse fields within sustainability science, we argue that there are valuable opportunities for mutual learning on how to use models more effectively as tools to support sustainable and equitable futures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Cognitive Aging as a Human Factor: Effects of Age on Human Performance

Nuclear power plant (NPP) control room operators must make ongoing computations and decisions that maximize production and ensure safety, which places a high cognitive burden on the operators. How cognitions such as attention, visuospatial ability, and working memory interact with socio-technical systems to achieve optimal operations is well studied. However, there is an absence of research that examines how cognitive functioning within the NPP control room environment is moderated by developmental aging processes. This is of critical importance because different types of cognitive actions are known to develop and peak at different times across the adult life span, and it is becoming increasingly clear that there is no age at which all cognitive faculties operate at maximum capacity. Thus, given that NPPs are experiencing an aging workforce, it is vital to identify how mission critical cognitions change with age. This paper reviews implications of aging on reactor operators in the current and new fleet. We highlight lessons that can be learned from state-of-the-art human factors research that considers aging, lessons from the large cognitive aging literature, and lessons from aging workers in other industries that use sophisticated socio-technical systems, such as aviation. We also consider the important subject of aging effects versus expertise and present preliminary data that support the premise that age of operator is linked to effective and efficient operations but that this relationship may be moderated by level of operations expertise. In conclusion, we apply these lessons to future considerations for aging research in current nuclear operations and with the advent of advanced modernized control rooms.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

ANATOMY OF A SOLAR FLARE: MEASUREMENTS OF THE 2006 DECEMBER 14 X-CLASS FLARE WITH GONG, HINODE, AND RHESSI

Some of the most challenging observations to explain in the context of existing flare models are those related to the lower atmosphere and below the solar surface. Such observations, including changes in the photospheric magnetic field and seismic emission, indicate the poorly understood connections between energy release in the corona and its impact in the photosphere and the solar interior. Using data from Hinode, TRACE, RHESSI, and GONG we study the temporal and spatial evolution of the 2006 December 14 X-class flare in the chromosphere, photosphere, and the solar interior. We investigate the connections between the emission at various atmospheric depths, including acoustic signatures obtained by time-distance and holography methods from the GONG data. We report the horizontal displacements observed in the photosphere linked to the timing and locations of the acoustic signatures we believe to be associated with this flare, their vertical and horizontal displacement velocities, and their potential implications for current models of flare dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

THE ACS SURVEY OF GLOBULAR CLUSTERS. XIII. PHOTOMETRIC CALIBRATION IN COMPARISON WITH STETSON STANDARDS

In this study we compare the photometric data of 34 Milky Way globular clusters, observed within the Advanced Camera for Surveys (ACS) Treasury Program (PI: A. Sarajedini) with the corresponding ground-based data, provided by the Photometric Standard Field Catalogs of Stetson. We focus on the transformation between the Hubble Space Telescope/ACS F606W to V-band and F814W to I-band only. The goal is to assess the validity of the filter transformation equations by Sirianni et al. with respect to their dependence on metallicity, horizontal branch morphology, mass, and integrated (V – I) color of the various globular clusters. The transformation equations as recommended by Sirianni et al. are based on synthetic photometry, were mostly tested on NGC 2419, and may introduce additional uncertainties when applied to different stellar populations. Such a dependence is expected due to the fact that the transformation equations are based on the observations of only one globular cluster, i.e., NGC 2419. Surprisingly, the correlation between offset and metallicity is found to be weak, with a low level significance. The correlation between offset and horizontal branch structure, as well as total cluster mass is still weaker. Based on the available data we do not find the photometric offset to be linked to multiple stellar populations, e.g., as found in NGC 0288, NGC 1851, and NGC 5139. The results of this study show that there are small systematic offsets between the transformed ACS- and observed ground-based photometry, and that these are only weakly correlated, if at all, with various cluster parameters and their underlying stellar populations. As a result, investigators wishing to transform globular cluster photometry from the Sirianni et al. ground-based V, I system onto the Stetson system simply need to add –0.040 (±0.012) to the V magnitudes and –0.047 (±0.011) to the I magnitudes. This in turn means that the transformed ACS V – I colors match the ground-based values from Stetson to within ∼0.01 mag.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Close Major-merger Pairs at z = 0: Star-forming Galaxies with Pseudobulges

Abstract We present a study of star-forming galaxies (SFGs) with pseudobulges (bulges with Sérsic indexn< 2) in a local close major-merger galaxy pair sample (H-KPAIR). With data from new aperture photometries in the optical and near-infrared bands (aperture size of 7 kpc) and from the literature, we find that the mean Age of central stellar populations in Spirals with pseudobulges is consistent with that of disky galaxies and is nearly constant against the bulge-to-total ratio (B/T). Paired Spirals have a slightly lower fraction of pure disk galaxies (B/T ≤ 0.1) than their counterparts in the control sample. Compared to SFGs with classical bulges, those with pseudobulges have a higher (>2σ) mean of specific star formation rate (sSFR) enhancement (sSFR enh = 0.33 ± 0.07 versus sSFR enh = 0.12 ± 0.06) and broader scatter (by ∼1 dex). The eight SFGs that have the highest sSFR enh in the sample all have pseudobulges. A majority (69%) of paired SFGs with strong enhancement (having sSFR more than 5 times the median of the control galaxies) have pseudobulges. The Spitzer data show that the pseudobulges in these galaxies are tightly linked to nuclear/circum-nuclear starbursts. Pseudobulge SFGs in S+S and in S+E pairs have significantly (>3σ) different sSFR enhancement, with the means of sSFR enh = 0.45 ± 0.08 and −0.04 ± 0.11, respectively. We find a decrease in the sSFR enhancements with the density of the environment for SFGs with pseudobulges. Since a high fraction (5/11) of pseudobulge SFGs in S+E pairs are in rich groups/clusters (local density N 1Mpc ≥ 7), the dense environment might be the cause for their low sSFR enh .

Astronomy & Astrophysics↗
DOE OSTI2018

Examples of renormalization group transformations for image sets

Using the example of configurations generated with the worm algorithm for the two-dimensional Ising model, we propose renormalization group (RG) transformations, inspired by the tensor RG, that can be applied to sets of images. We relate criticality to the logarithmic divergence of the largest principal component. We discuss the changes in link occupation under the RG transformation, suggest ways to obtain data collapse, and compare with the two-state tensor RG approximation near the fixed point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes

The photoreaction and commensurate structural changes of a chromophore within biological photoreceptors elicit conformational transitions of the protein promoting the switch between deactivated and activated states. We investigated how this coupling is achieved in a bacterial phytochrome variant, Agp2-PAiRFP2. Contrary to classical protein crystallography, which only allows probing (cryo-trapped) stable states, we have used time-resolved serial femtosecond x-ray crystallography (tr-SFX) and pump-probe techniques with various illumination and delay times with respect to photoexcitation of the parent Pfr state. Thus, structural data for seven time frames were sorted into groups of molecular events along the reaction coordinate. They range from chromophore isomerization to the formation of Meta-F, the intermediate that precedes the functional relevant secondary structure transition of the tongue. Structural data for the early events were used to calculate the photoisomerization pathway to complement the experimental data. Late events allow identifying the molecular switch that is linked to the intramolecular proton transfer as a prerequisite for the following structural transitions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Diazotroph Community Characterization via a High-Throughput nifH Amplicon Sequencing and Analysis Pipeline

The dinitrogenase reductase gene ( nifH ) is the most widely established molecular marker for the study of nitrogen-fixing prokaryotes in nature. A large number of PCR primer sets have been developed for nifH amplification, and the effective deployment of these approaches should be guided by a rapid, easy-to-use analysis protocol. Bioinformatic analysis of marker gene sequences also requires considerable expertise. In this study, we advance the state of the art for nifH analysis by evaluating nifH primer set performance, developing an improved amplicon sequencing workflow, and implementing a user-friendly bioinformatics pipeline. Furthermore, the developed amplicon sequencing workflow is a three-stage PCR-based approach that uses established technologies for incorporating sample-specific barcode sequences and sequencing adapters. Based on our primer evaluation, we recommend the Ando primer set be used with a modified annealing temperature of 58°C, as this approach captured the largest diversity of nifH templates, including paralog cluster IV/V sequences. To improve nifH sequence analysis, we developed a computational pipeline which infers taxonomy and optionally filters out paralog sequences. In addition, we employed an empirical model to derive optimal operational taxonomic unit (OTU) cutoffs for the nifH gene at the species, genus, and family levels. A comprehensive workflow script named TaxADivA (TAXonomy Assignment and DIVersity Assessment) is provided to ease processing and analysis of nifH amplicons. Our approach is then validated through characterization of diazotroph communities across environmental gradients in beach sands impacted by the Deepwater Horizon oil spill in the Gulf of Mexico, in a peat moss-dominated wetland, and in various plant compartments of a sugarcane field. IMPORTANCE: Nitrogen availability often limits ecosystem productivity, and nitrogen fixation, exclusive to prokaryotes, comprises a major source of nitrogen input that sustains food webs. The nifH gene, which codes for the iron protein of the nitrogenase enzyme, is the most widely established molecular marker for the study of nitrogen-fixing microorganisms (diazotrophs) in nature. In this study, a flexible sequencing/analysis pipeline, named TaxADivA, was developed for nifH amplicons produced by Illumina paired-end sequencing, and it enables an inference of taxonomy, performs clustering, and produces output in formats that may be used by programs that facilitate data exploration and analysis. Diazotroph diversity and community composition are linked to ecosystem functioning, and our results advance the phylogenetic characterization of diazotroph communities by providing empirically derived nifH similarity cutoffs for species, genus, and family levels. Thus, the utility of our pipeline is validated for diazotroph communities in a variety of ecosystems, including contaminated beach sands, peatland ecosystems, living plant tissues, and rhizosphere soil.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

American Gut: an Open Platform for Citizen Science Microbiome Research

Although much work has linked the human microbiome to specific phenotypes and lifestyle variables, data from different projects have been challenging to integrate and the extent of microbial and molecular diversity in human stool remains unknown. Using standardized protocols from the Earth Microbiome Project and sample contributions from over 10,000 citizen-scientists, together with an open research network, we compare human microbiome specimens primarily from the United States, United Kingdom, and Australia to one another and to environmental samples. Our results show an unexpected range of beta-diversity in human stool microbiomes compared to environmental samples; demonstrate the utility of procedures for removing the effects of overgrowth during room-temperature shipping for revealing phenotype correlations; uncover new molecules and kinds of molecular communities in the human stool metabolome; and examine emergent associations among the microbiome, metabolome, and the diversity of plants that are consumed (rather than relying on reductive categorical variables such as veganism, which have little or no explanatory power). We also demonstrate the utility of the living data resource and cross-cohort comparison to confirm existing associations between the microbiome and psychiatric illness and to reveal the extent of microbiome change within one individual during surgery, providing a paradigm for open microbiome research and education. We show that a citizen science, self-selected cohort shipping samples through the mail at room temperature recaptures many known microbiome results from clinically collected cohorts and reveals new ones. Of particular interest is integrating n = 1 study data with the population data, showing that the extent of microbiome change after events such as surgery can exceed differences between distinct environmental biomes, and the effect of diverse plants in the diet, which we confirm with untargeted metabolomics on hundreds of samples.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Geochemical Modeling of F Area Seepage Basin Composition and Variability

From the 1950s through 1989, the F Area Seepage Basins at the Savannah River Site (SRS) received low level radioactive wastes resulting from processing nuclear materials. Discharges of process wastes to the F Area Seepage Basins followed by subsequent mixing processes within the basins and eventual infiltration into the subsurface resulted in contamination of the underlying vadose zone and downgradient groundwater. For simulating contaminant behavior and subsurface transport, a quantitative understanding of the interrelated discharge-mixing-infiltration system along with the resulting chemistry of fluids entering the subsurface is needed. An example of this need emerged as the F Area Seepage Basins was selected as a key case study demonstration site for the Advanced Simulation Capability for Environmental Management (ASCEM) Program. This modeling evaluation explored the importance of the wide variability in bulk wastewater chemistry as it propagated through the basins. The results are intended to generally improve and refine the conceptualization of infiltration of chemical wastes from seepage basins receiving variable waste streams and to specifically support the ASCEM case study model for the F Area Seepage Basins. Specific goals of this work included: (1) develop a technically-based 'charge-balanced' nominal source term chemistry for water infiltrating into the subsurface during basin operations, (2) estimate the nature of short term and long term variability in infiltrating water to support scenario development for uncertainty quantification (i.e., UQ analysis), (3) identify key geochemical factors that control overall basin water chemistry and the projected variability/stability, and (4) link wastewater chemistry to the subsurface based on monitoring well data. Results from this study provide data and understanding that can be used in further modeling efforts of the F Area groundwater plume. As identified in this study, key geochemical factors affecting basin chemistry and variability included: (1) the nature or chemistry of the waste streams, (2) the open system of the basins, and (3) duration of discharge of the waste stream types. Mixing models of the archetype waste streams indicated that the overall basin system would likely remain acidic much of the time. Only an extended periods of predominantly alkaline waste discharge (e.g., >70% alkaline waste) would dramatically alter the average pH of wastewater entering the basins. Short term and long term variability were evaluated by performing multiple stepwise modeling runs to calculate the oscillation of bulk chemistry in the basins in response to short term variations in waste stream chemistry. Short term (1/2 month and 1 month) oscillations in the waste stream types only affected the chemistry in Basin 1; little variation was observed in Basin 2 and 3. As the largest basin, Basin 3 is considered the primary source to the groundwater. Modeling showed that the fluctuation in chemistry of the waste streams is not directly representative of the source term to the groundwater (i.e. Basin 3). The sequence of receiving basins and the large volume of water in Basin 3 'smooth' or nullify the short term variability in waste stream composition. As part of this study, a technically-based 'charge-balanced' nominal source term chemistry was developed for Basin 3 for a narrow range of pH (2.7 to 3.4). An example is also provided of how these data could be used to quantify uncertainty over the long term variations in waste stream chemistry and hence, Basin 3 chemistry.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Data Movement Dominates: Advanced Memory Technology to Address the Real Exascale Power Problem

Energy is the fundamental barrier to Exascale supercomputing and is dominated by the cost of moving data from one point to another, not computation. Similarly, performance is dominated by data movement, not computation. The solution to this problem requires three critical technologies: 3D integration, optical chip-to-chip communication, and a new communication model. The central goal of the Sandia led "Data Movement Dominates" project aimed to develop memory systems and new architectures based on these technologies that have the potential to lower the cost of local memory accesses by orders of magnitude and provide substantially more bandwidth. Only through these transformational advances can future systems reach the goals of Exascale computing with a manageable power budgets. The Sandia led team included co-PIs from Columbia University, Lawrence Berkeley Lab, and the University of Maryland. The Columbia effort of Data Movement Dominates focused on developing a physically accurate simulation environment and experimental verification for optically-connected memory (OCM) systems that can enable continued performance scaling through high-bandwidth capacity, energy-efficient bit-rate transparency, and time-of-flight latency. With OCM, memory device parallelism and total capacity can scale to match future high-performance computing requirements without sacrificing data-movement efficiency. When we consider systems with integrated photonics, links to memory can be seamlessly integrated with the interconnection network-in a sense, memory becomes a primary aspect of the interconnection network. At the core of the Columbia effort, toward expanding our understanding of OCM enabled computing we have created an integrated modeling and simulation environment that uniquely integrates the physical behavior of the optical layer. The PhoenxSim suite of design and software tools developed under this effort has enabled the co-design of and performance evaluation photonics-enabled OCM architectures on Exascale computing systems.

97 MATHEMATICS AND COMPUTING↗