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Characterization of the onboard imaging unit for the first clinical magnetic resonance image guided radiation therapy system

Purpose: To characterize the performance of the onboard imaging unit for the first clinical magnetic resonance image guided radiation therapy (MR-IGRT) system. Methods: The imaging performance characterization included four components: ACR (the American College of Radiology) phantom test, spatial integrity, coil signal to noise ratio (SNR) and uniformity, and magnetic field homogeneity. The ACR phantom test was performed in accordance with the ACR phantom test guidance. The spatial integrity test was evaluated using a 40.8 × 40.8 × 40.8 cm{sup 3} spatial integrity phantom. MR and computed tomography (CT) images of the phantom were acquired and coregistered. Objects were identified around the surfaces of 20 and 35 cm diameters of spherical volume (DSVs) on both the MR and CT images. Geometric distortion was quantified using deviation in object location between the MR and CT images. The coil SNR test was performed according to the national electrical manufacturers association (NEMA) standards MS-1 and MS-9. The magnetic field homogeneity test was measured using field camera and spectral peak methods. Results: For the ACR tests, the slice position error was less than 0.10 cm, the slice thickness error was less than 0.05 cm, the resolved high-contrast spatial resolution was 0.09 cm, the resolved low-contrast spokes were more than 25, the image intensity uniformity was above 93%, and the percentage ghosting was less than 0.22%. All were within the ACR recommended specifications. The maximum geometric distortions within the 20 and 35 cm DSVs were 0.10 and 0.18 cm for high spatial resolution three-dimensional images and 0.08 and 0.20 cm for high temporal resolution two dimensional cine images based on the distance-to-phantom-center method. The average SNR was 12.0 for the body coil, 42.9 for the combined torso coil, and 44.0 for the combined head and neck coil. Magnetic field homogeneities at gantry angles of 0°, 30°, 60°, 90°, and 120° were 23.55, 20.43, 18.76, 19.11, and 22.22 ppm, respectively, using the field camera method over the 45 cm DSV. Conclusions: The onboard imaging unit of the first commercial MR-IGRT system meets ACR, NEMA, and vendor specifications.

60 APPLIED LIFE SCIENCES↗

Einstein@Home discovers a radio-quiet gamma-ray millisecond pulsar

Millisecond pulsars (MSPs) are old neutron stars that spin hundreds of times per second and appear to pulsate as their emission beams cross our line of sight. To date, radio pulsations have been detected from all rotation-powered MSPs. Here, in an attempt to discover radio-quiet gamma-ray MSPs, we used the aggregated power from the computers of tens of thousands of volunteers participating in the Einstein@Home distributed computing project to search for pulsations from unidentified gamma-ray sources in Fermi Large Area Telescope data. This survey discovered two isolated MSPs, one of which is the only known rotation-powered MSP to remain undetected in radio observations. These gamma-ray MSPs were discovered in completely blind searches without prior constraints from other observations, raising hopes for detecting MSPs from a predicted Galactic bulge population.

79 ASTRONOMY AND ASTROPHYSICS↗

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↗

A Public-Private-Academic Partnership to Advance Solar Power Forecasting

Executive Summary NOAA is making major contributions to the solar forecasting project in three areas. First, it is improving its forecasts of solar irradiance, clouds, and aerosols in its numerical weather prediction models. Second, it is providing advanced satellite products for DOE's FOA awardees to use in their forecast systems. Third, it is using high-quality ground-based measurements from SURFRAD and ISIS stations to verify and validate forecast model output. This reports covers results from all three areas for the period May 1, 2014 - April 30, 2015. Modeling In its modeling effort, NOAA continues work to improve the skill of solar forecasts from the Earth System Research Lab (ESRL) research versions of the 13-km Rapid Refresh (RAP) and the 3-km High-Resolution Rapid Refresh (HRRR) models, which are in turn transitioned into operations at the National Centers for Environmental Prediction (NCEP). A major milestone was achieved in September 2014 with the initial operational implementation of the HRRR at NCEP. In the ESRL research versions of the models, testing and development, in both real-time runs and retrospective experiments, is guided by an extensive in-house verification system. Early in the SFIP project, we developed the capability to verify our model forecasts against the high-quality surface radiation measurements from the SURFRAD and ISIS networks. This highlighted some shortcomings with the RAP and HRRR forecasts of incoming shortwave radiation. Most of our effort during Phase 1 of SFIP was focused on addressing these problems with a variety of model system improvements. The RAP and HRRR models during the warm season of 2014 had a noticeable warm and dry bias in near-surface conditions over most of the central and eastern United States, and our new SURFRAD/ISIS verification revealed that there was also a large excess of incoming global horizontal irradiance in the models. We hypothesized that a lack of cloud cover (particularly low-level cloud cover) in the models was resulting in too much heating of the land surface. This, in turn, caused unrealistically strong surface heat fluxes and turbulent mixing in the planetary boundary layer (PBL), which further reduced the already deficient cloud cover. We addressed these issues with a combination of data assimilation system modifications and model physics improvements. Many of our data assimilation changes were made with a view towards improving the near-term representation of clouds and precipitation. One of these changes involved better accounting for regions of weak reflectivity in the RAP cloud / hydrometeor assimilation system, in order to improve the representation of light precipitation in the RAP initial conditions and provide more realistic initial cloud cover. Additional modifications more accurately accounted for radar beam blockage and data gaps (particularly in the western United States), which improves shorter lead times forecasts of clouds and precipitation. We have also tested the assimilation of new data sources within the RAP and the HRRR, including radar radial velocity data and surface mesonet observations. Within the HRRR, we have tested the cycling of the 3-km land surface fields to allow a higher-resolution treatment of land surface processes. In terms of model physics development for SFIP, we have implemented a shallow cumulus scheme within the RAP, and have made numerous improvements to the Mellor-Yamada-Nakanishi-Niino (MYNN) PBL scheme to address insufficient low-level cloud cover in the models. We have conducted tests incorporating the radiation effects of (parameterized) boundary-layer clouds within the modified MYNN PBL scheme (independent of the convective schemes). The Grell-Freitas-Olson shallow cumulus scheme has also been tested within the 3-km HRRR. Finally, we have also modified the RUC land surface model (LSM) treatment of the vegetation wilting point, reducing it to increase evapotranspiration and increase cloud cover in the boundary layer. All of these changes work in tandem to significantly improve the model forecasts of cloud cover, incoming shortwave radiation, and near-surface temperature and moisture. Satellite The role of NOAA/NESDIS in the Solar Forecasting Improvement Project is to provide Advanced Satellite Products (ASPs) for the two forecasting teams at NCAR and IBM. The ASPs are cloud, surface, and atmosphere products derived from geostationary satellite imagery at the highest possible spatial and temporal resolution - such quantities as cloud mask, cloud probability, cloud transmission, cloud top height, cloud top temperature, cloud effective particle size, etc. Ancillary data, such as elevation and numerical weather prediction fields are provided in the files at the same resolution as well. There are at this time 147 different variables in the ASP output, including quality flags and processing information. The main goals for Year 1 of the project were to implement an Advanced Satellite Products system for the use of the IBM and NCAR teams, begin validation, and make any needed changes based on feedback from the teams. ASP files are being produced every GOES Imager acquisition, which occur on a 15-30 minute schedule. Processing is done on a dedicated computer, with a turn-around time of 8-21 minutes from image acquisition to results available on ftp. Several helpful visualizations of the data are also created for users on web pages. Users have been provided with a document titled "User's Guide for 1km Cloud Products Derived from GOES Imager Data using CLAVR-x", which discusses the basics of the source imagery, the process by which it is turned into Advanced Satellite Products, and considerations users should make when using the data. Validation of selected variables from the older 4km version of the products was also included. Future work will concentrate on validation of the 1km products and improving the turn-around time, product variety, and product quality as needed. Ground Observations In the ground-based measurement effort, NOAA's main objectives are to provide high quality radiation products for validation and verification of short-term to day-ahead solar forecasts. More specifically for the three year project, our goals include (1) Maintaining and providing data from our 7 SURFRAD and 7 ISIS; (2) Update ISIS radiation measurements from 3 min to 1 min data: (3) Purchase and install new pyrheliometers for direct solar irradiance measurements at the 7 SURFRAD sites; (4) Building, testing, and deploying two mobile SURFRAD stations at two utility plants in collaboration with DOE sponsored partners, and includes ongoing maintenance and processing of the data at the mobile sites; (5) Upgrading the data acquisition and communications at 7 SURFRAD sites and 7 ISIS sites; (6) Providing radiation data at the 7 SURFRAD sites in near real-time; (7) Develop and provide aerosol optical depth and cloud images and cloud fraction at our two mobile sites; (8) Provide data recovery rates each year; (9) Provide temporally and spatially averaged radiation products for comparison to HRRR and RAP solar forecasts and advanced satellite products; (10) Provide a data-set for analysis of conversion of direct and diffuse to sloped surfaces; (11) and as time permits develop and provide spectral solar irradiance, cloud optical depth and spectral albedo from the mobile sites. Milestones this year include working with the DOE sponsored teams to find locations to deploy two mobile SURFRAD stations. One existing unit was deployed at a 30MW PV facility in the San Luis Valley in collaboration with Xcel and the NCAR team in August, 2014. The second unit was built and tested at our facilities in Boulder, CO and deployed near Green Mountain Power's Education Center in Rutland, VT in collaboration with Green Mountain Power and the IBM Team in October, 2014. Data processing was implemented and the radiation data from these two mobile sites have been made available on our ftp server in near real-time. We also are providing images and cloud fraction from the TSI cameras for these two mobile sites on our ftp site. Another milestone was upgrading our data acquisition and communication systems at 7 SURFRAD and 7 ISIS sites. We accelerated our schedule for these upgrades to provide timely radiation products. These upgrades allow more reliable and near-real time radiation data delivery to the DOE sponsored teams to meet their goals. Lastly, we changed the data rate at the ISIS sites from 3 min to 1 min.

14 SOLAR ENERGY↗

The role of cytosine methylation on charge transport through a DNA strand

Cytosine methylation has been found to play a crucial role in various biological processes, including a number of human diseases. The detection of this small modification remains challenging. In this work, we computationally explore the possibility of detecting methylated DNA strands through direct electrical conductance measurements. Using density functional theory and the Landauer-Büttiker method, we study the electronic properties and charge transport through an eight base-pair methylated DNA strand and its native counterpart. We first analyze the effect of cytosine methylation on the tight-binding parameters of two DNA strands and then model the transmission of the electrons and conductance through the strands both with and without decoherence. We find that the main difference of the tight-binding parameters between the native DNA and the methylated DNA lies in the on-site energies of (methylated) cytosine bases. The intra- and inter-strand hopping integrals between two nearest neighboring guanine base and (methylated) cytosine base also change with the addition of the methyl groups. Our calculations show that in the phase-coherent limit, the transmission of the methylated strand is close to the native strand when the energy is nearby the highest occupied molecular orbital level and larger than the native strand by 5 times in the bandgap. The trend in transmission also holds in the presence of the decoherence with the same rate. The lower conductance for the methylated strand in the experiment is suggested to be caused by the more stable structure due to the introduction of the methyl groups. We also study the role of the exchange-correlation functional and the effect of contact coupling by choosing coupling strengths ranging from weak to strong coupling limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Roles of Verification, Validation and Uncertainty Quantification in the NASA Standard for Models and Simulations

The National Aeronautics and Space Administration (NASA) recently issued an interim version of the Standard for Models and Simulations (M&S Standard) [1]. The action to develop the M&S Standard was identified in an internal assessment [2] of agency-wide changes needed in the wake of the Columbia Accident [3]. The primary goal of this standard is to ensure that the credibility of M&S results is properly conveyed to those making decisions affecting human safety or mission success criteria. The secondary goal is to assure that the credibility of the results from models and simulations meets the project requirements (for credibility). This presentation explains the motivation and key aspects of the M&S Standard, with a special focus on the requirements for verification, validation and uncertainty quantification. Some pilot applications of this standard to computational fluid dynamics applications will be provided as illustrations. The authors of this paper are the members of the team that developed the initial three drafts of the standard, the last of which benefited from extensive comments from most of the NASA Centers. The current version (number 4) incorporates modifications made by a team representing 9 of the 10 NASA Centers. A permanent version of the M&S Standard is expected by December 2007. The scope of the M&S Standard is confined to those uses of M&S that support program and project decisions that may affect human safety or mission success criteria. Such decisions occur, in decreasing order of importance, in the operations, the test & evaluation, and the design & analysis phases. Requirements are placed on (1) program and project management, (2) models, (3) simulations and analyses, (4) verification, validation and uncertainty quantification (VV&UQ), (5) recommended practices, (6) training, (7) credibility assessment, and (8) reporting results to decision makers. A key component of (7) and (8) is the use of a Credibility Assessment Scale, some of the details of which were developed in consultation with William Oberkampf, David Peercy and Timothy Trocano of Sandia National Laboratories. The focus of most of the requirements, including those for VV&UQ, is on the documentation of what was done and the reporting, using the Credibility Assessment Scale, of the level of rigor that was followed. The aspects of one option for the Credibilty Assessment Scale are (1) code verification, (2) solution verification, (3) validation, (4) predictive capability, (5) technical review, (6) process control, and (7) operator and analyst qualification.

Zang, Thomas A.↗

The evolution of far-infrared co emission from protostars

We investigate the evolution of far-IR CO emission from protostars observed with Herschel/PACS for 50 sources from the combined sample of HOPS and DIGIT Herschel key programs. From the uniformly sampled spectral energy distributions, whose peaks are well sampled, we computed the L{sub bol}, T{sub bol}, and L{sub bol}/L{sub smm} for these sources to search for correlations between far-IR CO emission and protostellar properties. We find a strong and tight correlation between far-IR CO luminosity (L{sub CO}{sup fir}) and the bolometric luminosity (L{sub bol}) of the protostars with L{sub CO}{sup fir} ∝L{sub bol}{sup 0.7}. We, however, do not find a strong correlation between L{sub CO}{sup fir} and protostellar evolutionary indicators, T{sub bol} and L{sub bol}/L{sub smm}. FIR CO emission from protostars traces the currently shocked gas by jets/outflows, and far-IR CO luminosity, L{sub CO}{sup fir}, is proportional to the instantaneous mass-loss rate, M-dot {sub out}. The correlation between L{sub CO}{sup fir} and L{sub bol}, then, is indicative of instantaneous M-dot {sub out} tracking instantaneous M-dot {sub acc}. The lack of a correlation between L{sub CO}{sup fir} and evolutionary indicators T{sub bol} and L{sub bol}/L{sub smm} suggests that M-dot {sub out} and, therefore, M-dot {sub acc} do not show any clear evolutionary trend. These results are consistent with mass accretion/ejection in protostars being episodic. Taken together with the previous finding that the time-averaged mass-ejection/accretion rate declines during the protostellar phase, our results suggest that the instantaneous accretion/ejection rate of protostars is highly time variable and episodic, but the amplitude and/or frequency of this variability decreases with time such that the time-averaged accretion/ejection rate declines with system age.

79 ASTRONOMY AND ASTROPHYSICS↗

A Lattice Boltzmann Method for Predicting Porous Transport Layer Performance During Electrolysis

Electrolysis, the splitting of water into oxygen and hydrogen using electricity, is a sustainable way to produce green hydrogen for energy storage. In polymer electrolyte membrane (PEM) water electrolysis, water is brought into contact with charged catalyst layers and electrochemically separated into oxygen and hydrogen. The hydrogen product formed at the cathode is carried through the catalyst layer for eventual collection, while the oxygen by-product formed at the anode is removed from the surface via a multiphase interaction with circulating water and a solid porous transport layer (PTL). The design of this PTL aids in the detachment and advection of the oxygen by-product and thereby plays a role in the overall efficacy of the catalyst. In this presentation, we present our initial results modeling this multiphase system using a single-component, multiphase lattice Boltzmann method. We use the Shan-Chen model describing inter-particle forces to capture both the cohesion of the water (liquid) and oxygen (gas) phases and their interaction with the PTL (solid) (Shan and Chen, 1993). We use a Carnahan-Starling equation of state to model the effective density governing these inter-particle interactions which allows us to model this relatively high density ratio system (Carnahan and Starling, 1969). With these simulations, we show that the geometry and heterogeneity of the PTL geometry plays a large role in its ability to move oxygen away from the catalyst layer and the resulting bubble structures that are formed within the PTL. The current work demonstrates these effects using synthesized PTL geometries and 2D physics, which will be extended to experimentally-imaged PTL sections and 3D algorithms in the near future.

Boltzmann↗

Excitation of interstellar hydrogen chloride

We have computed new rate coefficients for the collisional excitation of HCl by He, in the close-coupled formalism and using an interaction potential determined recently by Willey, Choong, & DeLucia. Results have been obtained for temperatures between 10 K and 300 K. With the use of the infinite order sudden approximation, we have derived approximate expressions of general applicability which may be used to estimate how the rate constant for a transition (J to J prime) is apportioned among the various hyperfine states F prime of the final state J prime. Using these new rate coefficients, we have obtained predictions for the HCl rotational line strengths expected from a dense clump of interstellar gas, as a function of the HCl fractional abundance. Over a wide range of HCl abundances, we have found that the line luminosities are proportional to abundance(exp 2/3), a general result which can be explained using a simple analytical approximation. Our model for the excitation of HCl within a dense molecular cloud core indicates that the J = 1 goes to 0 line strengths measured by Blake, Keene, & Phillips toward the Orion Molecular Cloud (OMC-1) imply a fractional abundance n(HCl)/n(H2) approximately 2 x 10(exp -9), a value which amounts to only approximately 0.3% of the cosmic abundance of chlorine nuclei. Given a fractional abundance of 2 x 10(exp -9), the contribution of HCl emission to the total radiative cooling of a dense clump is small. For Orion, we predict a flux approximately 10(exp -19) W/sq cm for the HCl J = 3 goes to 2 line near 159.8 micrometers, suggesting that the strength of this line could be measured using the Infrared Space Observatory.

Neufild, David A.↗

Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO 3 (010) Surface

Density functional theory (DFT) calculations were performed on the multistep hydrodeoxygenation (HDO) of acetone (CH 3 COCH 3 ) to propylene (CH 3 CHCH 2 ) on a molybdenum oxide (α-MoO 3 ) catalyst following an oxygen vacancy-driven pathway. First, a perfect O-terminated α-MoO 3 (010) surface based on a 4 × 2 × 4 supercell is reduced by molecular hydrogen (H 2 ) to generate a terminal oxygen (O t ) defect site. This process occurs via a dissociative chemisorption of H 2 on adjacent surface oxygen atoms, followed by an H transfer to form a water molecule (H 2 O). Next, adsorption of CH 3 COCH 3 on the oxygen-deficient Mo site forms an O–Mo bond and then the chemisorbed CH 3 COCH 3 forms CH 3 COCH 2 by transfer of an H atom to an adjacent O t site. The surface bound hydroxyl (OH) then transfers the H atom to the immobilized O atom to form surface-bound enol, CH 3 CHOCH 2 . The next step releases CH 3 CHCH 2 into the gas phase, while simultaneously oxidizes the surface back to a perfect O-terminated α-MoO 3 (010) surface. The adsorption of H 2 , and the formation of a terminal oxygen (Ot) vacancy, moves the conduction band minimum (CBM) from 1.2 eV to 0 and 0.3 eV, respectively. Climbing image-nudged elastic band (CI-NEB) calculations using a Perdew–Burke–Ernzerhof (PBE) functional in combination with double-ζ valence (DZV) basis sets indicate that the dissociative adsorption of H 2 is the rate-limiting step for the catalytic cycle with a barrier of 1.70 eV. Furthermore, the lower barrier for surface-mediated H transfer from primary-to-secondary carbon atom (0.63 eV) compared to that of a concerted direct H transfer to the secondary C atom with simultaneous desorption (2.02 eV) emphasizes the key role played by the surface in H transfer for effective deoxygenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE Award No.: DE-FE0023919 Phase 3 Scientific/Technical Report

This is the Phase 3 Report for the ‘Deepwater Methane Hydrate Characterization and Scientific Assessment or Genesis of Methane Hydrates in the Gulf of Mexico (GOM2)’ research project (DOE Award No. DE-FE0023919). The report summarizes activities from January 16, 2018 to September 30, 2019. The project is led by the University of Texas at Austin (UT). The objective is to gain insight into the nature, formation, occurrence and physical properties of methane hydrate-bearing sediments for the purpose of methane hydrate resource appraisal through the planning and execution of drilling, coring, logging, testing and analytical activities that assess the geologic occurrence, regional context, and characteristics of marine methane hydrate deposits in the Gulf of Mexico outer continental shelf (OCS). We determined that it would not be possible to pursue the project with the International Ocean Discovery Program (IODP) and then developed a revised science and operations plan to maximize the science using a commercial vessel within the budget that is available. We improved the scientific capability of the UT pressure core center by adding the ability to X-ray pressure cores, and the ability to cut and store multiple core samples for experimental analysis. We transferred pressure cores to peer institutions, including the National Energy Technology Lab (NETL) the United States Geological Survey (USGS Woods Hole). We made advances in understanding the composition and source of gasses locked in the methane hydrate from Green Canyon 955 (GC-955). We developed approaches to determine the in-situ salinity of hydrate-bearing samples, revealing that the in situ salinity of the GC 955 reservoir is just above that of seawater. We determined that the GC-955 hydrate reservoir is composed of sandy silt with a high concentration of hydrate interbedded with clayey silt with no hydrate present. We determined that some or all of the intervals bounding the hydrate reservoir are composed of material similar to the reservoir (sandy silt with hydrate and clayey silt with no hydrate), but with a lower net to gross. We determined that the reservoir effective permeability at a hydrate saturation of ~80-90 % is ~0.1 mD (or 1.0×10-16 m2) to ~0.5 mD (or 5.0×10-16 m2) and the intrinsic permeability is ~12 mD (or 1.2×10-14 m2). The GC-955 reservoir in-situ porosity of sandy silt is 0.38 to 0.40 and is largely independent of effective stress, and that the porosity of clayey silt is 0.33 at an in situ effective stress of 3.8 MPa to ~0.37 at zero effective stress. We developed a systematic, repeatable approach to studying hydrate reservoir properties by reconstituting individual lithofacies from dissociated pressure cores. We determined index properties of GC-955 reservoir, including liquid limit and plasticity, porosity, capillary behavior, and particle size distribution. We developed a more robust pressure coring technology. We finalized and published the UT-GOM2-1 Expedition Volume and we finalized a dedicated volume on the UT-GOM2-1 expedition that will be published in the American Association of Petroleum Geologists Bulletin (AAPG) in spring 2020.

03 NATURAL GAS↗

Evaluating cosmological biases using photometric redshifts for Type Ia Supernova cosmology with the Dark Energy Survey Supernova Program

Cosmological analyses with Type Ia Supernovae (SNe Ia) have traditionally been reliant on spectroscopy for both classifying the type of supernova and obtaining reliable redshifts to measure the distance–redshift relation. While obtaining a host-galaxy spectroscopic redshift for most SNe is feasible for small-area transient surveys, it will be too resource intensive for upcoming large-area surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time, which will observe on the order of millions of SNe. Here, we use data from the Dark Energy Survey (DES) to address this problem with photometric redshifts (photo-z) inferred directly from the SN light curve in combination with Gaussian and full p(z) priors from host-galaxy photo-z estimates. Using the DES 5-yr photometrically classified SN sample, we consider several photo-z algorithms as host-galaxy photo-z priors, including the Self-Organizing Map redshifts (SOMPZ), Bayesian Photometric Redshifts (BPZ), and Directional-Neighbourhood Fitting (DNF) redshift estimates employed in the DES 3 × 2 point analyses. With detailed catalogue-level simulations of the DES 5-yr sample, we find that the simulated w can be recovered within ±0.02 when using SN+SOMPZ or DNF prior photo-z, smaller than the average statistical uncertainty for these samples of 0.03. With data, we obtain biases in w consistent with simulations within ~1σ for three of the five photo-z variants. We further evaluate how photo-z systematics interplay with photometric classification and find classification introduces a subdominant systematic component. This work lays the foundation for next-generation fully photometric SNe Ia cosmological analyses.

(cosmology:) dark energy↗

Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda

From beneath the surface of the earth, we currently obtain about 80-percent of the energy our nation consumes each year. In the future we have the potential to generate billions of watts of electrical power from clean, green, geothermal energy sources. Our planet’s subsurface can also serve as a reservoir for storing energy produced from intermittent sources such as wind and solar, and it could provide safe, long-term storage of excess carbon dioxide, energy waste products and other hazardous materials. However, it is impossible to underestimate the complexities of the subsurface world. These complexities challenge our ability to acquire the scientific knowledge needed for the efficient and safe exploitation of its resources. To more effectively harness subsurface resources while mitigating the impacts of developing and using these resources, the U.S. Department of Energy established SubTER – the Subsurface Technology and Engineering RD&D Crosscut team. This DOE multi-office team engaged scientists and engineers from the national laboratories to assess and make recommendations for improving energy-related subsurface engineering. The SubTER team produced a plan with the overall objective of “adaptive control of subsurface fractures and fluid flow.”This plan revolved around four core technological pillars—Intelligent Wellbore Systems that sustain the integrity of the wellbore environment; Subsurface Stress and Induced Seismicity programs that guide and optimize sustainable energy strategies while reducing the risks associated with subsurface injections; Permeability Manipulation studies that improve methods of enhancing, impeding and eliminating fluid flow; and New Subsurface Signals that transform our ability to see into and characterize subsurface systems. The SubTER team developed an extensive R&D plan for advancing technologies within these four core pillars and also identified several areas where new technologies would require additional basic research. In response, the Office of Science, through its Office of Basic Energy Science (BES), convened a roundtable consisting of 15 national lab, university and industry geoscience experts to brainstorm basic research areas that underpin the SubTER goals but are currently underrepresented in the BES research portfolio. Held in Germantown, Maryland on May 22, 2015, the round-table participants developed a basic research agenda that is detailed in this report. Highlights include the following: -A grand challenge calling for advanced imaging of stress and geological processes to help understand how stresses and chemical substances are distributed in the subsurface—knowledge that is critical to all aspects of subsurface engineering; -A priority research direction aimed at achieving control of fluid flow through fractured media; -A priority research direction aimed at better understanding how mechanical and geochemical perturbations to subsurface rock systems are coupled through fluid and mineral interactions; -A priority research direction aimed at studying the structure, permeability, reactivity and other properties of nanoporous rocks, like shale, which have become critical energy materials and exhibit important hallmarks of mesoscale materials; -A cross-cutting theme that would accelerate development of advanced computational methods to describe heterogeneous time-dependent geologic systems that could, among other potential benefits, provide new and vastly improved models of hydraulic fracturing and its environmental impacts; -A cross-cutting theme that would lead to the creation of “geo-architected materials” with controlled repeatable heterogeneity and structure that can be tested under a variety of thermal, hydraulic, chemical and mechanical conditions relevant to subsurface systems; -A cross-cutting theme calling for new laboratory studies on both natural and geo-architected subsurface materials that deploy advanced high-resolution 3D imaging and chemical analysis methods to determine the ;rates and mechanisms of fluid-rock processes, and to test predictive models of such phenomena. Many of the key energy challenges of the future demand a greater understanding of the subsurface world in all of its complexity. This greater under- standing will improve the ability to control and manipulate the subsurface world in ways that will benefit both the economy and the environment. This report provides specific basic research pathways to address some of the most fundamental issues of energy-related subsurface engineering.

15 GEOTHERMAL ENERGY↗

It is not σ 8 : constraining the non-linear matter power spectrum with the Dark Energy Survey Year-5 supernova sample

The weak gravitational lensing magnification of Type Ia supernovae (SNe Ia) is sensitive to the matter power spectrum on scales $k\gt 1 h$ Mpc$^{-1}$, making it unwise to interpret SNe Ia lensing in terms of power on linear scales. We compute the probability density function of SNe Ia magnification as a function of standard cosmological parameters, plus an empirical parameter $A_{\rm mod}$ which describes the suppression or enhancement of matter power on non-linear scales compared to a cold dark matter only model. While baryons are expected to enhance power on the scales relevant to SN Ia lensing, other physics such as neutrino masses or non-standard dark matter may suppress power. Using the Dark Energy Survey Year-5 sample, we find $A_{\rm mod} = 0.77^{+0.69}_{-0.40}$ (68 per cent credible interval around the median). Although the median is consistent with unity there are hints of power suppression, with $A_{\rm mod} \lt 1.09$ at 68 per cent credibility.

79 ASTRONOMY AND ASTROPHYSICS↗

Roadmap on energy harvesting materials

Ambient energy harvesting has great potential to contribute to sustainable development and address growing environmental challenges. Converting waste energy from energy-intensive processes and systems (e.g. combustion engines and furnaces) is crucial to reducing their environmental impact and achieving net-zero emissions. Compact energy harvesters will also be key to powering the exponentially growing smart devices ecosystem that is part of the Internet of Things, thus enabling futuristic applications that can improve our quality of life (e.g. smart homes, smart cities, smart manufacturing, and smart healthcare). To achieve these goals, innovative materials are needed to efficiently convert ambient energy into electricity through various physical mechanisms, such as the photovoltaic effect, thermoelectricity, piezoelectricity, triboelectricity, and radiofrequency wireless power transfer. By bringing together the perspectives of experts in various types of energy harvesting materials, this Roadmap provides extensive insights into recent advances and present challenges in the field. Additionally, the Roadmap analyses the key performance metrics of these technologies in relation to their ultimate energy conversion limits. Building on these insights, the Roadmap outlines promising directions for future research to fully harness the potential of energy harvesting materials for green energy anytime, anywhere.

14 SOLAR ENERGY↗

Microbial Activity and Precipitation at Solution-Solution Mixing Zones in Porous Media (Final Report)

The use of biological and chemical processes that degrade or immobilize contaminants in subsurface environments is a cornerstone of remediation technology. The enhancement of biological and chemical processes in situ, involves the transport, displacement, distribution and mixing of one or more reactive agents. Biological and chemical reactions all require diffusive transport of solutes to reaction sites at the molecular scale and accordingly, the success of processes at the meter-scale and larger is dictated by the success of phenomena that occur at the micron-scale. However, current understanding of scaling effects on the mixing and delivery of nutrients in biogeochemically dynamic porous media systems is limited, despite the limitations this imposes on the efficiency and effectiveness of the remediation challenges at hand. We therefore proposed to experimentally characterize and computationally describe the growth, evolution, and distribution of microbial activity and mineral formation as well as changes in transport processes in porous media that receive two or more reactive amendments. The model system chosen for this project was based on a method for immobilizing 90 Sr, which involves stimulating microbial urea hydrolysis with ensuing mineral precipitation (CaCO 3 ), and co-precipitation of Sr. Studies at different laboratory scales were used to visualize and quantitatively describe the spatial relationships between amendment transport and consumption that stimulate the production of biomass and mineral phases that subsequently modify the permeability and heterogeneity of porous media. Biomass growth, activity, and mass deposition in mixing zones was investigated using two-dimensional micro-model flow cells as well as flow cells that could be analyzed using synchrotron-based x-ray tomography. Larger-scale flow-cell experiments were conducted where the spatial distribution of media properties, flow, segregation of biological activity and impact on ancillary constituents (i.e., Sr) was determined. Model simulations accompanied the experimental efforts. The research contributed towards defining the key physical, chemical, and biological processes influencing the form and mobility of DOE priority contaminants (e.g., 60 Co, 90 Sr, U) in the subsurface. The work conducted and reported herein, will in the future (i) contribute to controlling the juxtaposition of microbial activity, contaminants and amendments, (ii) promote new strategies for delivering amendments, and (iii) allow new approaches for modifying permeability and flow in porous media. We feel that the work has already translated directly to improving the efficiency of amendment based remediation strategies. The results of the project have been published in a number of peer reviewed journal articles. The abstracts and citations to those articles, given in section 2.0 below, make up the bulk of this final report.

42 ENGINEERING↗

Seismic Imager Space Telescope

A concept has been developed for a geostationary seismic imager (GSI), a space telescope in geostationary orbit above the Pacific coast of the Americas that would provide movies of many large earthquakes occurring in the area from Southern Chile to Southern Alaska. The GSI movies would cover a field of view as long as 300 km, at a spatial resolution of 3 to 15 m and a temporal resolution of 1 to 2 Hz, which is sufficient for accurate measurement of surface displacements and photometric changes induced by seismic waves. Computer processing of the movie images would exploit these dynamic changes to accurately measure the rapidly evolving surface waves and surface ruptures as they happen. These measurements would provide key information to advance the understanding of the mechanisms governing earthquake ruptures, and the propagation and arrest of damaging seismic waves. GSI operational strategy is to react to earthquakes detected by ground seismometers, slewing the satellite to point at the epicenters of earthquakes above a certain magnitude. Some of these earthquakes will be foreshocks of larger earthquakes; these will be observed, as the spacecraft would have been pointed in the right direction. This strategy was tested against the historical record for the Pacific coast of the Americas, from 1973 until the present. Based on the seismicity recorded during this time period, a GSI mission with a lifetime of 10 years could have been in position to observe at least 13 (22 on average) earthquakes of magnitude larger than 6, and at least one (2 on average) earthquake of magnitude larger than 7. A GSI would provide data unprecedented in its extent and temporal and spatial resolution. It would provide this data for some of the world's most seismically active regions, and do so better and at a lower cost than could be done with ground-based instrumentation. A GSI would revolutionize the understanding of earthquake dynamics, perhaps leading ultimately to effective warning capabilities, to improved management of earthquake risk, and to improved public safety policies. The position of the spacecraft, its high optical quality, large field of view, and large field of regard will make it an ideal platform for other scientific studies. The same data could be simply reused for other studies. If different data, such as multi-spectral data, is required, additional instruments could share the telescope.

Sidick, Erkin↗

PCAST: Report to the President Review of the Networking and Information Technology Research and Development Program

The President’s Council of Advisors on Science and Technology (PCAST) is the sole body of advisors from outside the federal government charged with making science, technology, and innovation policy recommendations to the President and the White House. Established by Executive Order, it is an independent Federal Advisory Committee comprised of distinguished individuals from industry, academia, and non-profit organizations with a range of perspectives and expertise. On December 5, 2024, PCAST sent a report to the President with recommendations to strengthen and improve the NITRD program and its activities to provide an even greater positive impact for the Nation.

97 MATHEMATICS AND COMPUTING↗