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DOE OSTI2016

Improved Understanding of Microbial Iron and Sulfate Reduction Through a Combination of Bottom-up and Top-down Functional Proteomics Assays

Our overall goal was to improve the understanding of microbial iron and sulfate reduction by evaluating a diverse iron and sulfate reducing organisms utilizing a multi-omics approach combining “top-down” and “bottom-up” omics methodologies. We initiated one of the first combined comparative genomics, shotgun proteomics, RTqPCR, and heterologous expression studies in pursuit of our project objectives. Within the first year of this project, we created a new bioinformatics tool for ortholog identification (“SPOCS”). SPOCS is described in our publication, Curtis et al., 2013. Using this tool we were able to identify conserved orthologous groups across diverse iron and sulfate reducing microorganisms from Firmicutes, gamma-proteobacteria and delta-proteobacteria. For six iron and sulfate reducers we also performed shotgun proteomics (“bottom-up” proteomics including accurate mass and time (AMT) tag and iTRAQ approaches). Cultures include Gram (-) and Gram (+) microbes. Gram (-) were: Geobacter sulfureducens (grown on iron citrate and fumarate), Geobacter bemidjiensis (grown on iron citrate and fumarate), Shewanella oneidiensis (grown on iron citrate and fumarate) and Anaeromyxobacter dehalogenans (grown on iron citrate and fumarate). Although all cultures grew on insoluble iron, the iron precipitates interfered with protein extraction and analysis; which remains a major challenge for researchers in disparate study systems. Among the Gram (-) organisms studied, Anaeromyxobacter dehalogenans remains the most poorly characterized. Yet, it is arguably the most versatile organisms we studied. In this work we have used comparative proteomics to hypothesize which two of the dozens of predicted c-type cytochromes within Anaeromyxobacter dehalogenans may be directly involved in soluble iron reduction. Unfortunately, heterologous expression of these Anaeromyxobacter dehalogenans ctype cytochromes led to poor protein production and/or formation of inclusion bodies, even when we co-expressed several genes known to be important for assembly of cytochrome holoenzymes. We confirmed the proteomics trends at the RNA level by designing specific primer sets for hypothesized iron reductases in Anaeromyxobacter dehalogenans, and performed Reverse Transcription-qPCR. AD_0127 was 20 fold upregulated only on iron citrate conditions. AD_0127 is described as a hypothetical protein, but Pfam predicts it to be C554 type cytochrome having a possible role in nitrification (Wang et al., in preparation).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

A Pipeline for Large Data Processing Using Regular Sampling for Unstructured Grids

Large simulation data requires a lot of time and computational resources to compute, store, analyze, visualize, and run user studies. Today, the largest cost of a supercomputer is not hardware but maintenance, in particular energy consumption. Our goal is to balance energy consumption and cognitive value of visualizations of resulting data. This requires us to go through the entire processing pipeline, from simulation to user studies. To reduce the amount of resources, data can be sampled or compressed. While this adds more computation time, the computational overhead is negligible compared to the simulation time. We built a processing pipeline at the example of regular sampling. The reasons for this choice are two-fold: using a simple example reduces unnecessary complexity as we know what to expect from the results. Furthermore, it provides a good baseline for future, more elaborate sampling methods. We measured time and energy for each test we did, and we conducted user studies in Amazon Mechanical Turk (AMT) for a range of different results we produced through sampling.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Geothermal Thermoelectric Generation (G-TEG) with Integrated Temperature Driven Membrane Distillation and Novel Manganese Oxide for Lithium Extraction

Southern Research Institute (Southern) teamed with partners Novus Energy Technologies (Novus), Carus Corporation (Carus), and Applied Membrane Technology, Inc. (AMT) to develop an innovative Geothermal ThermoElectric Generation (G-TEG) system specially designed to both generate electricity and extract high-value lithium (Li) from low-temperature geothermal brines. The process combined five modular technologies including – silica removal, nanofiltration (NF), membrane distillation (MD), Mn-oxide sorbent for Li recovery, and TEG. This project provides a proof of concept for each of these technologies. The first step in the process is silica precipitation through metal addition and pH adjustment to prevent downstream scaling in membrane processes. Next, the geothermal brine is concentrated with the first of a two stage MD system. The first stage MD system is made of a high-temperature material to withstand geothermal brine temperatures up to 150C.° The first stage MD is integrated with a G-TEG module for simultaneous energy generation. The release of energy from the MD permeate drives heat transfer across the TE module, producing electricity. The first stage MD concentrate is then treated utilizing an NF system to remove Ca 2+ and Mg 2+ . The NF concentrate will be disposed in the well by reinjection. The NF permeate undergoes concentration in a second stage of MD (polymeric material) to further concentrate Li in the NF permeate and enhance the efficiency of the downstream Li recovery process utilizing a Mn-oxide sorbent. Permeate from both the stages of the MD can be beneficially utilized as the permeates will contain less contaminants than the feed water. The concentrated geothermal brines are then contacted with the Mn-oxide sorbent. After Li from the geothermal brine is adsorbed on the sorbent, HCl is then utilized to regenerate the sorbent and recover the Li. The research and development project showed that the Si removal goal (>80%) could be achieved by increasing the pH of the brine and adding Fe 3+ under several scenarios. The NF was also successful in achieving significant Ca 2+ and Mg 2+ removal (~80%) while retaining most Li in the permeate for high strength brines. MD experiments showed that geothermal brines could be significantly concentrated with little fouling due to pre-treatment.

15 GEOTHERMAL ENERGY↗

DOE OSTI2017

“A System for Automatically Maintaining Pressure in a Commercial Truck Tire”

Under-inflated tires significantly reduce a vehicle’s fuel efficiency by increasing rolling resistance (drag force). The Air Maintenance Technology (“AMT”) system developed through this project replenishes lost air and maintains optimal tire cavity pressure whenever the tire is rolling in service, thus improving overall fuel economy by reducing the tire’s rolling resistance. The system consists of an inlet air filter, an air pump driven by tire deformation during rotation, and a pressure regulating device. Pressurized air in the tire cavity naturally escapes by diffusion through the tire and wheel, leaks in tire seating, and through the filler valve and its seating. As a result, tires require constant maintenance to replenish lost air. Since manual tire inflation maintenance is both labor intensive and time consuming, it is frequently overlooked or ignored. By automating the maintenance of optimal tire pressure, the tire’s contribution to the vehicle’s overall fuel economy can be maximized. The work was divided into three phases. The objectives of Phase 1, Planning and Initial Design, resulted in an effective project plan and to create a baseline design. The objectives for Phase 2, Design and Process Optimization, were: to identify finalized design for the pump, regulator and filter components; identify a process to build prototype tires; assemble prototype tires; test prototype tires and document results. The objectives of Phase 3, Design Release and Industrialization, were to finalize system tire assembly, perform release testing and industrialize the assembly process.

42 ENGINEERING↗

DOE OSTI2015

ASC ATDM Level 2 Milestone #5325: Asynchronous Many-Task Runtime System Analysis and Assessment for Next Generation Platforms

This report provides in-depth information and analysis to help create a technical road map for developing next-generation programming models and runtime systems that support Advanced Simulation and Computing (ASC) work- load requirements. The focus herein is on asynchronous many-task (AMT) model and runtime systems, which are of great interest in the context of "Oriascale7 computing, as they hold the promise to address key issues associated with future extreme-scale computer architectures. This report includes a thorough qualitative and quantitative examination of three best-of-class AIM] runtime systems – Charm-++, Legion, and Uintah, all of which are in use as part of the Centers. The studies focus on each of the runtimes' programmability , performance , and mutability . Through the experiments and analysis presented, several overarching Predictive Science Academic Alliance Program II (PSAAP-II) Asc findings emerge. From a performance perspective, AIV runtimes show tremendous potential for addressing extreme- scale challenges. Empirical studies show an AM runtime can mitigate performance heterogeneity inherent to the machine itself and that Message Passing Interface (MP1) and AM11runtimes perform comparably under balanced conditions. From a programmability and mutability perspective however, none of the runtimes in this study are currently ready for use in developing production-ready Sandia ASC applications. The report concludes by recommending a co- design path forward, wherein application, programming model, and runtime system developers work together to define requirements and solutions. Such a requirements-driven co-design approach benefits the community as a whole, with widespread community engagement mitigating risk for both application developers developers. and high-performance computing runtime systein

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

DARMA-EMPIRE Integration and Performance Assessment – Interim Report

We begin by presenting an overview of the general philosophy that is guiding the novel DARMA developments, followed by a brief reminder about the background of this project. We finally present the FY19 design requirements. As the Exascale era arises, DARMA is uniquely positioned at the forefront of asychronous many-task (AMT) research and development (R&D) to explore emerging programming model paradigms for next-generation HPC applications at Sandia, across NNSA labs, and beyond. The DARMA project explores how to fundamentally shift the expression(PM) and execution(EM)of massively concurrent HPC scientific algorithms to be more asynchronous, resilient to executional aberrations in heterogeneous/unpredictable environments, and data-dependency conscious—thereby enabling an intelligent, dynamic, and self-aware runtime to guide execution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

ATDM Data Management FY2015: Data Warehouse Progress Report

The Advanced Technology Development and Mitigation (ATDM) program at Sandia National Laboratories is a new effort to build next-generation simulation codes that will map well to upcoming exascale computing platforms. Rather than follow traditional single- program, multiple data (SPMD) programming techniques, ATDM is developing applications in an asynchronous many task (AMT) form that describes work as a graph of tasks that have data dependencies. The data management team is focused on developing a data warehouse for ATDM that will enable tasks to store and exchange data objects efficiently. This report summarizes the data management teams efforts during FY15, and documents: (1) an initial API and implementation for the data warehouses key/value store, (2) API requirements for use with ATDMs runtime, (3) initial requirements for storing ATDM-specific data, and (4) the current organization of software components that will be used by the data warehouse.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

TCR Input to NUREG-1537 Process for Advanced Nuclear Technologies Derived from Additive Manufacturing

There has been a renewed interest by several advanced reactor developers to use NUREG-1537 “Guidelines for Preparing and Reviewing Applications for the Licensing of Non-Power Reactors” as a basis for their safety analysis report content and organization. Recently, SHINE Medical Technologies, LLC (SHINE), which is a non-power, Aqueous Homogenous Reactor design radioisotope production facility, received a construction permit based around their NUREG-1537 safety evaluation report (ADAMS No. ML16229A140). Advanced reactor developers are interested in using NUREG-1537 as a basis for their safety analysis report content and organization because of its successful application towards research reactors, graded approach, and simplicity in structure and requirements. However, NUREG-1537 is still largely geared toward light water reactors (LWRs) and many improvements could be made or supported through guidance documents for advanced reactors. For nuclear power to play a role in the future zero-carbon energy portfolio, a supportive regulatory structure is needed to lower regulatory uncertainty and barriers to deployment. At the time of this report, no such document or pathway exists for advanced nuclear technologies, including those derived from nontraditional technology such as advanced manufacturing technology (AMT) and, specifically, additive manufacturing. This report will explore and provide recommendations as to how advanced nuclear technologies derived from additive manufacturing technologies could employ the use of an ISG, other guidance document, or revisions to NUREG-1537 to lower the regulatory uncertainty and barriers for adoption.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Profiles of Radiative Fluxes at ENA

Profiles of radiative fluxes observed at the Atmospheric Radiation Measurement (ARM)’s Eastern North Atlantic (ENA) observatory along with the ancillary measurements are reported. The below-cloud drizzle properties were derived by combining the data from the ceilometer and Ka-band ARM Zenith Radar (KAZR) following the technique explained by Ghate et al. (2021 JAMC). The cloud and drizzle water path values were derived from the brightness temperatures reported by the microwave radiometer following the technique of Cadeddu et al. (2020 AMT). The cloud water path was then scaled to the KAZR-reported radar reflectivity to calculate profiles of liquid water content (LWC). Following the analysis from Ghate et al. (2023 JGR), cloud droplet effective radius was calculated using the number concentration value of 100 cm-3. The cloud properties, along with the thermodynamic properties, served as an input to the Rapid Radiative Transfer Model (RRTM) to yield profiles of radiative fluxes at a 1-minute temporal and 50-m vertical resolution. The fluxes were then averaged to hourly temporal resolution for analysis. In Mitra et al. (2025 JClim), the calculated profiles were compared against those derived from the satellite measurements (SYN1deg). Flux profiles from the SYN1deg and the thermodynamic and cloud properties used for deriving them are also reported here. Both all-sky and clear-sky radiative flux profiles were calculated. Due to the large data volume, the surface and top-of-atmosphere (TOA) radiative fluxes for the six-year period, and the hourly profiles of the radiative fluxes for January 2018, are submitted here. Full profiles of radiative fluxes calculated from the thermodynamic and cloud properties measured at the ENA site at 1-minute temporal and 50-m vertical resolution for a six-year period are available from the authors. Six files here correspond to the following data: 1_ENARAD_CERES_with_cld_amount_timeseries.nc: Time-series of hourly values of RRTM-simulated values of upwelling and downwelling fluxes at the surface and TOA, observed boundary-layer cloud fractions, and upwelling and downwelling fluxes from the SYN1deg from July 2015 to January 2022. 2_CERES_2018_at_CERES_levels.nc: SYN1deg radiative fluxes at six levels for the year 2018. 3_ENARad_2018_at_CERES_levels.nc: RRTM calculated fluxes at the SYN1deg vertical levels for the year 2018. 4_ENARad_rrtminputs_hourly_201801.nc: Thermodynamic and cloud properties used as an input to the RRTM for January 2018. 5_CERES_inputs_hourly_201801.nc: Thermodynamic and cloud properties utilized by SYN1deg algorithm for January 2018. 6_ENARAD_hourly_201801.nc: Full profiles of hourly averaged radiative fluxes from the RRTM simulations for January 2018.

Atmosphere↗

NASA NTRS1979

The effect of surface oxide layer on the rate of hydrogen emission from aluminum and its alloys in a high vacuum

The influence of surface oxide layers on the kinetics of hydrogen emission at the high vacuum of 10 to the minus 8th power torr was investigated at temperatures from 20 to 450 C using samples of pure AB00 aluminum and the cast alloy AMg. Cast and deformed samples of AMts alloy were used to study the effect of oxide film thickness on the rate of hydrogen emission. Thermodynamic calculations of the reactions of the generation and dissociation of aluminum oxide show that degasification at elevated temperatures (up to 600 C) and high vacuum will not reduce the thickness of artificially-generated surface oxide layers on aluminum and its alloys.

Makarova, V. I.↗

NASA NTRS1980

Atmospheric and oceanographic research review, 1979

Papers generated by atmospheric, oceanographic, and climatological research performed during 1979 at the Goddard Laboratory for Atmospheric Sciences are presented. The GARP/global weather research is aimed at developing techniques for the utilization and analysis of the FGGE data sets. Observing system studies were aimed at developing a GLAS TIROS N sounding retrieval system and preparing for the joint NOAA/NASA AMTS simulation study. The climate research objective is to support the development and effective utilization of space acquired data systems by developing the GLAS GCM for short range climate predictions, studies of the sensitivity of climate to boundary conditions, and predictability studies. Ocean/air interaction studies concentrated on the development of models for the prediction of upper ocean currents, temperatures, sea state, mixed layer depths, and upwelling zones, and on studies of the interactions of the atmospheric and oceanic circulation systems on time scales of a month or more.

Source record↗

NASA NTRS1981

A study of a 63 K radiative cooler for the advanced moisture and temperature sounder

A study was performed of cooling methods for a space-borne, earth observing infrared optical instrument, AMTS. Major requirements on the thermal design are an optics temperature below 200 K, a detector array temperature below 75 K, orbital lifetime of 3 to 5 years, a near polar, sun synchronous orbit with altitude near 800 km. Power dissipation of the detectors is 38 mW, in the optics compartment 1.4 W. Large radiative coolers positioned so as to be shielded from sun, spacecraft and earth result in predicted optics temperature of 156 K and detector temperature of 63 K.

Salazar, R.↗

NASA NTRS1982

Advanced sensors for spaceborne measurements of the earth's atmosphere

Concepts involved in remote sensing from space are reviewed, together with performance requirements of proposed and planned equipment. Attention is focused on measurements of the troposphere, particularly meteorological variables and chemical species. The principles of absorption, using either passive or active sensors, emission detection, fluorescence measurements, and EM radiation scattering are outlined. The proposed NASA Windsat, using a CO2 laser from the Orbiter or from an 800 km orbit spacecraft to measure low-level wind speeds is described, as are the uses of the AMTS atmospheric sounder instrument for IR atmospheric temperature sensing and a 20-channel microwave radiometer to detect moisture profiles in the water vapor bands. Additionally, a microwave pressure sounder to detect backscattered signals at 60 GHz is outlined, along with lidar pressure and wind speed measurement methods.

Hinkley, E. D.↗

NASA NTRS1984

ECMWF/NMC/GLAS Joint Simulation Study

Simulation experiments to provide a quantitative assessment of the potential impact of proposed observing systems on large scale numerical weather prediction are conducted. Instruments to be simulated include current conventional and satellite observing systems, advanced passive sounders such as the AMTS and AMSU, and active LIDAR systems for the measurement of wind, temperature and humidity profiles. The potential impact of individual observing systems, the effect of coverage, resolution, accuracy and assimilation methodology are studied.

Atlas, R.↗

NASA NTRS1985

Simulation studies related to the design of post-FGGE observing systems

The results of three detailed simulation studies are presented. The first study consists of a comparative assessment of the performance of an advanced moisture/temperature sounder (AMTS) being proposed by NASA as a follow-on replacement to the current HIRS-2 operational sounder aboard the NOAA weather satellites. The second study was concerned with assessing the relative accuracies of inferred atmospheric states for idealized lidar wind profiling systems, temperature profiling systems, temperature profiling systems, surface pressure systems, and composite systems. The third study incorporated the above systems into a highly realistic data analysis/forecast cycle from which a series of forecast impact studies were conducted. These studies, taken together, give us a picture of the potential that emerging technoloies can offer in the determination of the basic atmospheric variables required for long-range numerical weather and climate prediction.

Halem, M.↗

NASA NTRS1993

ACTS broadband aeronautical experiment

In the last decade, the demand for reliable data, voice, and video satellite communication links between aircraft and ground to improve air traffic control, airline management, and to meet the growing demand for passenger communications has increased significantly. It is expected that in the near future, the spectrum required for aeronautical communication services will grow significantly beyond that currently available at L-band. In anticipation of this, JPL is developing an experimental broadband aeronautical satellite communications system that will utilize NASA's Advanced Communications Technology Satellite (ACTS) as a satellite of opportunity and the technology developed under JPL's ACTS Mobile Terminal (AMT) Task to evaluate the feasibility of using K/Ka-band for these applications. The application of K/Ka-band for aeronautical satellite communications at cruise altitudes is particularly promising for several reasons: (1) the minimal amount of signal attenuation due to rain; (2) the reduced drag due to the smaller K/Ka-band antennas (as compared to the current L-band systems); and (3) the large amount of available bandwidth. The increased bandwidth available at these frequencies is expected to lead to significantly improved passenger communications - including full-duplex compressed video and multiple channel voice. A description of the proposed broadband experimental system will be presented including: (1) applications of K/Ka-band aeronautical satellite technology to U.S. industry; (2) the experiment objectives; (3) the experiment set-up; (4) experimental equipment description; and (5) industrial participation in the experiment and the benefits.

Abbe, Brian S.↗

NASA NTRS1995

Ka-band MMIC array system for ACTS aeronautical terminal experiment (Aero-X)

During the summer of 1994, the Advanced Communication Technology Satellite (ACTS) Aeronautical Terminal Experiment (Aero-X) was successfully completed by the NASA Lewis Research Center (LeRC) and the Jet Propulsion Laboratory (JPL). 4.8 and 9.6 Kbps duplex voice links were established between the LeRC Learjet and the ACTS Link Evaluation Terminal (LET) in Cleveland, Ohio, via the ACTS. The antenna system used in this demonstration was developed by LeRC and featured LeRC and US Air Force experimental arrays using GaAs MMIC devices at each radiating element for electronic beam steering and distributed power amplification. The antenna system consisted of three arrays mounted inside the LeRC Learjet, pointing out through the windows. An open loop tracking controller developed by LeRC used information from the aircraft position and attitude sensors to automatically steer the arrays toward ACTS during flight JPL ACTS Mobile Terminal (AMT) system hardware was used as transceivers both on the aircraft and at the LET. The single 32 element MMIC transmit array developed by NASA/LeRC and Texas Instruments has an EIRP of 23.4 dBW at boresight. The two 20 GHz MMIC receive arrays were developed in a cooperative effort with the USAF Rome Laboratory/Electronic System Center, taking advantage of existing USAF array development contracts with Boeing and Martin Marietta. The Boeing array has 23 elements and a G/T of 16/6 db/degK at boresight. The Martin Marietta array has 16 elements and a G/T of 16.1 db/degK at boresight. The three proof-of-concept arrays, the array control system and their integration and operation in the Learjet for Aero-X are described.

Raquet, Charles A.↗

NASA NTRS1996

Mobile Propagation Results from Using the ACTS Mobile Terminal

NASA's Advanced Communications Technology Satellite (ACTS) provides an ideal spaced-based platform for analyzing the Ka-band mobile satellite channel. This paper reports on the results of the Ka-band mobile propagation analysis campaign using the ACTS Mobile Terminal (AMT) developed by the Jet Propulsion Laboratory (JPL). The objectives of the mobile propagation experiments were to measure and analyze the fading characteristics of the Ka-band channel. The analysis involved examining pilot tone tests in three environments: lightly shadowed suburban, moderately shadowed suburban, and heavily shadowed suburban. The results indicate that Ka-band pilot tones experience significant multipath and fading effects. It may be possible to design link margins to provide reliable service for the lightly shadowed suburban environment at Ka-band. However, for areas with moderate and heavy shadowing, the link margin required to realize reliable communications with 99% availability is excessive (26 dB for moderate shadowing, and greater then 30 dB for heavy shadowing). An alternate approach would be to use shadowing/fading countermeasures (e.g., interleaved error control coding and antenna diversity). Such mitigation techniques, necessary for reliable Ka-band mobile communication within a suburban environment, are currently being considered within the NASA program.

Pinck, Deborah↗