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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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At least 541 records · Page 30

Optimization, Scale-Up, and Design of Coal-Dependent Methanogenesis in Preparation for In Situ Field Demonstration (Final Report)

Coal deposits are a widespread energy resource on Earth, and the associated CBM represents a significant portion of the world’s natural gas reserves. In deep coal beds, CBM can be a by-product of coalification processes at elevated temperature and pressure and is referred to as thermogenic gas. In shallower coal seams, CBM formation is the result of microbial transformation of organic matter into methane gas (CH 4 ) via methanogenesis, involving the syntrophic cooperation of fermenting and acetogenic bacteria with methanogenic archaea. Biogenic gas, including microbial CBM, can contribute up to 20% of the gas resources on Earth. A large portion of coal deposits in the US (ca. 35%) reside in the PRB located in Montana and Wyoming which are the focus of the present study. The isotopic composition of dissolved gases ( 13 CH 4 and 13 CO 2 ) in the formation water of PRB coal beds is indicative of active methanogenesis as the dominant source of gas in the basin. These low-rank (subbituminous) coal beds provide higher proportions of bioavailable macerals that favor biogenic gas formation in the subsurface. Estimates for the microbial CBM produced from the PRB coal beds over the past decades, range from 15 to 30 trillion ft 3 recovered from over 17,000 active wells. While most of the coal in the PRB is unminable, CBM can be extracted and its combustion produces less atmospheric emissions of greenhouse gases than oil or coal.

Fields, Matthew↗

A parallel hub-and-spoke system for large-scale scenario-based optimization under uncertainty

Practical solution of stochastic programming problems generally requires the use of parallel computing resources. Here, we describe the open source package mpi-sppy, in which efficient and scalable parallelization is a central feature. We report computational experiments that demonstrate the ability to solve very large stochastic programming problems - including mixed-integer variants - in minutes of wall clock time, efficiently leveraging significant parallel computing resources. We report results for the largest publicly available instances of stochastic mixed-integer unit commitment problems, solving to provably tight optimality gaps. In addition, we introduce a novel software architecture that facilitates combinations of methods for accelerating convergence that can be combined in plug-and-play manner. Finally, the mpi-sppy package is written in Python, leverages the widely used Pyomo (http://www.pyomo.org) library for modeling mathematical programs, builds on existing MPI implementations to ensure efficiency and scalability, and is available via http://github.com/Pyomo/mpi-sppy.

97 MATHEMATICS AND COMPUTING↗

Update of the FANTOM web resource: high resolution transcriptome of diverse cell types in mammals

Upon the first publication of the fifth iteration of the Functional Annotation of Mammalian Genomes collaborative project, FANTOM5, we gathered a series of primary data and database systems into the FANTOM web resource (http://fantom.gsc.riken.jp) to facilitate researchers to explore transcriptional regulation and cellular states. In the course of the collaboration, primary data and analysis results have been expanded, and functionalities of the database systems enhanced. We believe that our data and web systems are invaluable resources, and we think the scientific community will benefit for this recent update to deepen their understanding of mammalian cellular organization. We introduce the contents of FANTOM5 here, report recent updates in the web resource and provide future perspectives.

59 BASIC BIOLOGICAL SCIENCES↗

Firex Water Tank, SWMU 069, Confirmatory Sampling Report

The National Aeronautics and Space Administration (NASA) Resource Conservation and Recovery Act (RCRA) permit requires identification and evaluation of known Solid Waste Management Units (SWMU) located at the Kennedy Space Center (KSC). Firex Water Tank (FWT), or the “site,” is designated as SWMU 069 under the NASA RCRA permit. This report summarizes the results of the Confirmatory Sampling (CS) field activities carried out during Fall 2021, at FWT, SWMU 069, KSC, Florida. Three locations of concern (LOCs) were identified by screening historical sample results to current State of Florida soil cleanup target levels (SCTL). A total of 18 soil samples were collected to investigate the historical exceedance locations. Samples at LOC 1 and 2 were analyzed for arsenic and the results for all were below the SCTL. Samples at LOC 3 were analyzed for polynuclear aromatic hydrocarbons and it was determined that certain locations have results that remain above the SCTL. The current land use controls will remain in place at FWT to mitigate potential risks.

Firex↗

Product Assurance for Spaceflight Hardware

This report contains information about the tasks I have completed and the valuable experience I have gained at NASA. The report is divided into two different sections followed by a program summary sheet. The first section describes the two reports I have completed for the Office of Mission Assurance (OMA). I describe the approach and the resources and facilities used to complete each report. The second section describes my experience working in the Receipt Inspection/Quality Assurance Lab (RI/QA). The first report described is a Product Assurance Plan for the Gas Permeable Polymer Materials (GPPM) mission. The purpose of the Product Assurance Plan is to define the various requirements which are to be met through completion of the GPPM mission. The GPPM experiment is a space payload which will be flown in the shuttle's SPACEHAB module. The experiment will use microgravity to enable production of complex polymeric gas permeable materials. The second report described in the first section is a Fracture Analysis for the Mir Environmental Effects Payload (MEEP). The Fracture Analysis report is a summary of the fracture control classifications for all structural elements of the MEEP. The MEEP hardware consists of four experiment carriers, each of which contains an experiment container holding a passive experiment. The MEEP hardware will be attached to the cargo bay of the space shuttle. It will be transferred by Extravehicular Activity and mounted on the Mir space station. The second section of this report describes my experiences in the RVQA lab. I listed the different equipment I used at the lab and their functions. I described the extensive inspection process that must be completed for spaceflight hardware. Included, at the end of this section, are pictures of most of the equipment used in the lab. There is a summary sheet located at the end of this report. It briefly describes the valuable experience I have gained at NASA this summer and what I will be able to take with me as I return to college. I briefly discuss the experiences I mentioned in the previous three paragraphs along with training classes I attended and courses I completed at the Learning Lab.

Monroe, Mike↗

Co-treating flue gas desulfurized effluent and produced water enables novel waste management and recovery of critical minerals

Herein this study reports a novel approach of resource recovery from co-managing two geographically co-located and chemically complementary wastewaters using a pilot-scale treatment process. Designed to treat flue gas desulfurized (FGD) effluent from combustion powerplants and produced water (PW) from energy industries, the process consists of soda-ash softening, nanofiltration (NF), and reverse osmosis (RO). Recovered products are barite, calcite, and low-salinity water. Using field-collected waters, the results show that softening at pH 8.5 produces calcite (yield: 30 kg/m 3 treated water), a chemical used as SO ₂(g) scrubbers. NF treatment under an applied pressure of 3.5 MPa yields a permeate stream laden with monovalent ions (water recovery 60%) and a concentrate stream with a sulfate concentration 1.8 times of the feedwater concentration. Mixing the NF concentrate and PW at a volumetric ratio of 1.0 precipitates a high-density barite material (4.1 g/cm 3 , yield: ~7.5 kg/m 3 mixture) – a critical mineral commonly used as a weighting agent in drilling. The RO treatment recovers >64% water as the permeate, which can be readily used as cooling make-up water at the powerplants. The RO concentrate stream can be further processed in a thermal evaporative system for additional water recovery and brine production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrating equity in transportation scenario planning: A systematic review

To address the growing uncertainties in the future transportation industry, planners and engineers have identified and implemented scenario planning, a multi-step and strategic approach, in long-range transportation planning. A comprehensive examination of how equity is envisioned, planned, and analyzed during this process remains absent, despite several key guidelines of scenario planning exercises. This paper conducts a systematic literature review focusing on how equity has been considered and evaluated in scenario planning. The resources include academic papers, agency reports, and materials from the recent scenario planning conference, the 2nd Conference on Scenario Planning in Transportation hosted by the Transportation Research Board. This paper examines equity in scenario planning in three important ways: 1) the ways equity has been integrated across steps; 2) how equity analysis has evolved; and 3) when it is necessary to consider equity. This work adds value to the existing body of knowledge by presenting the policy implications based on the review of the current scenario planning research and practices. Early policy recommendations include the need for more vertical equity evaluations, the construction of robustness and justice indicators, and the adoption of a flexible mindset of planning for rather than being fixated on a single scenario.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Optimization study for the experimental configuration of CMB-S4

The CMB Stage 4 (CMB-S4) experiment is a next-generation, ground-based experiment that will measure the cosmic microwave background (CMB) polarization to unprecedented accuracy, probing the signature of inflation, the nature of cosmic neutrinos, relativistic thermal relics in the early universe, and the evolution of the universe. CMB-S4 will consist of O (500,000) photon-noise-limited detectors that cover a wide range of angular scales in order to probe the cosmological signatures from both the early and late universe. It will measure a wide range of microwave frequencies to cleanly separate the CMB signals from galactic and extra-galactic foregrounds. To advance the progress towards designing the instrument for CMB-S4, we have established a framework to optimize the instrumental configuration to maximize its scientific output. The framework combines cost and instrumental models with a cosmology forecasting tool, and evaluates the scientific sensitivity as a function of various instrumental parameters. The cost model also allows us to perform the analysis under a fixed-cost constraint, optimizing for the scientific output of the experiment given finite resources. In this paper, we report our first results from this framework, using simplified instrumental and cost models. Here, we have primarily studied two classes of instrumental configurations: arrays of large-aperture telescopes with diameters ranging from 2–10 m, and hybrid arrays that combine small-aperture telescopes (0.5-m diameter) with large-aperture telescopes. We explore performance as a function of telescope aperture size, distribution of the detectors into different microwave frequencies, survey strategy and survey area, low-frequency noise performance, and balance between small and large aperture telescopes for hybrid configurations. Both types of configurations must cover both large (~ degree) and small (~ arcmin) angular scales, and the performance depends on assumptions for performance vs. angular scale. The configurations with large-aperture telescopes have a shallow optimum around 4–6 m in aperture diameter, assuming that large telescopes can achieve good performance for low-frequency noise. We explore some of the uncertainties of the instrumental model and cost parameters, and we find that the optimum has a weak dependence on these parameters. The hybrid configuration shows an even broader optimum, spanning a range of 4–10 m in aperture for the large telescopes. We also present two strawperson configurations as an outcome of this optimization study, and we discuss some ideas for improving our simple cost and instrumental models used here. There are several areas of this analysis that deserve further improvement. In our forecasting framework, we adopt a simple two-component foreground model with spatially varying power-law spectral indices. We estimate de-lensing performance statistically and ignore non-idealities such as anisotropic mode coverage, boundary effect, and possible foreground residual. Instrumental systematics, which is not accounted for in our analyses, may also influence the conceptual design. Further study of the instrumental and cost models will be one of the main areas of study by the entire CMB-S4 community. Finally, we hope that our framework will be useful for estimating the influence of these improvements in the future, and we will incorporate them in order to further improve the optimization.

79 ASTRONOMY AND ASTROPHYSICS↗

Comparing three generations of D-Wave quantum annealers for minor embedded combinatorial optimization problems

Abstract Quantum annealing (QA) is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. QA in the transverse Ising model, implemented on D-Wave quantum processing units, are available as cloud computing resources. In this study we report concise benchmarks across three generations of D-Wave quantum annealers, consisting of four different devices, for the NP-hard discrete combinatorial optimization problems unweighted maximum clique and unweighted maximum cut on random graphs. The Ising, or equivalently quadratic unconstrained binary optimization, formulation of these problems do not require auxiliary variables for order reduction, and their overall structure and weights are not highly variable, which makes these problems simple test cases to understand the sampling capability of current D-Wave quantum annealers. All-to-all minor embeddings of size 52, with relatively uniform chain lengths, are used for a direct comparison across the Chimera, Pegasus, and Zephyr device topologies. A grid-search over annealing times and the minor embedding chain strengths is performed in order to determine the level of reasonable performance for each device and problem type. Experiment metrics that are reported are approximation ratios for non-broken chain samples, chain break proportions, and time-to-solution for the maximum clique problem instances. How fairly the quantum annealers sample optimal maximum cliques, for instances which contain multiple maximum cliques, is quantified using entropy of the measured ground state distributions. The newest generation of quantum annealing hardware, which has a Zephyr hardware connectivity, performed the best overall with respect to approximation ratios and chain break frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evaluation of phase shifts for nonrelativistic elastic scattering using quantum computers

Simulations of scattering processes are essential in understanding the physics of our universe. Computing relevant scattering quantities from ab initio methods is extremely difficult on classical devices because of the substantial computational resources needed. Here, this work reports the development of an algorithm that makes it possible to obtain phase shifts for generic nonrelativistic elastic scattering processes on a quantum computer. This algorithm is based on extracting phase shifts from the direct implementation of the real-time evolution. The algorithm is improved by a variational procedure making it more accurate and resistant to the quantum noise. The reliability of the algorithm is first demonstrated by means of classical numerical simulations for different potentials and later tested on existing quantum hardware, specifically on IBM quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Tuned to Terrible: A Study of Parallel Particle Advection State of the Practice

The algorithms foundational to visualization are central to the production visualization tools running at computing centers around the world and consume tremendous amounts of finite, limited resources. We believe that understanding the performance characteristics of these algorithms is critical in being good stewards of computational centers' resources. In this paper, we report initial studies on one such foundational algorithm: parallel particle advection. We have performed an extensive parameter study of the de facto standard algorithm that is commonly used in parallel production visualization tools as well as for in situ visualization environments. Our study has shown that the default parameters used in this algorithm lead to generally poor results, and identify settings that optimized performance on the system in our parameter sweep.

97 MATHEMATICS AND COMPUTING↗

Training Efforts in the Exascale Computing Project

This article delineates the training activities carried out under the auspices of the U.S. Department of Energy’s (DOE) Exascale Computing Project (ECP). While some of these activities are specific to members of ECP, others can be beneficial to the community at large. Additionally, we report on training opportunities and resources that the broad Computer Science and Engineering (CS&E) community can tap into; we seek to increase awareness about these resources, which we expect to go beyond ECP’s scope and life cycle.

97 MATHEMATICS AND COMPUTING↗

Designing a graphics processing unit accelerated petaflop capable lattice Boltzmann solver: Read aligned data layouts and asynchronous communication

The lattice Boltzmann method is a well-established numerical approach for complex fluid flow simulations. Recently, general-purpose graphics processing units (GPUs) have become available as high-performance computing resources at large scale. We report on designing and implementing a lattice Boltzmann solver for multi-GPU systems that achieves 1.79 PFLOPS performance on 16,384 GPUs. To achieve this performance, we introduce a GPU compatible version of the so-called bundle data layout and eliminate the halo sites in order to improve data access alignment. Furthermore, we make use of the possibility to overlap data transfer between the host central processing unit and the device GPU with computing on the GPU. As a benchmark case, we simulate flow in porous media and measure both strong and weak scaling performance with the emphasis being on large-scale simulations using realistic input data.

Computer Science↗

Perspectives on the Costs of Cancer Care: A Survey of the American Society of Breast Surgeons

Background: Cancer treatment costs are not routinely addressed in shared decisions for breast cancer surgery. Thus, we sought to characterize cost awareness and communication among surgeons treating breast cancer. Methods: We conducted a self-administered, confidential electronic survey among members of the American Society of Breast Surgeons from 1 July to 15 September 2018. Questions were based on previously published or validated survey items, and assessed surgeon demographics, cost sensitivity, and communication. Descriptive summaries and cross-tabulations with Chi-square statistics were used, with exact tests where warranted, to assess findings. Results: Of those surveyed (N = 2293), 598 (25%) responded. Surgeons reported that ‘risk of recurrence’ (70%), ‘appearance of the breast’ (50%), and ‘risks of surgery’ (47%) were the most influential on patients’ decisions for breast cancer surgery; 6% cited out-of-pocket costs as significant. Over half (53%) of the surgeons agreed that doctors should consider patient costs when choosing cancer treatment, yet the majority of surgeons (58%) reported ‘infrequently’ (43%) or ‘never’ (15%) considering patient costs in medical recommendations. The overwhelming majority (87%) of surgeons believed that patients should have access to the costs of their treatment before making medical decisions. Surgeons treating a higher percentage of Medicaid or uninsured patients were more likely to consistently consider costs (p < 0.001). Participants reported that insufficient knowledge or resources (61%), a perceived inability to help with costs (24%), and inadequate time (22%) impeded cost discussions. Notably, 20% of participants believed that discussing costs might impact the quality of care patients receive. Conclusions: Cost transparency remains rare, however in shared decisions for breast cancer surgery, improved cost awareness by surgeons has the potential to reduce financial hardship.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

REE Adsorption Performance with Immobilized Caulobacter Biofilms

This submission includes data collected from experiments on the performance of rare earth adsorption by immobilized bacteria that accompany the FY18 Q2 and Q3 quarter reports. Relevant information from these reports is included in a resource below. The spreadsheet below includes data from the following three experiments: REE Bioadsorption from buffer solution by Caulobacter biofilms. REE Bioadsorption from mock geothermal fluids by Caulobacter biofilms. REE biosorption capacity and its temperature dependence with Mutag Biochips.

15 GEOTHERMAL ENERGY↗

Herrick Well

Data generated at the National Energy Technology Laboratory, Morgantown WV from the Herrick 3HM well. API 34-111-2-4401-00-00 Lat/Long = 39.6572 N/80.9847W Monroe County, Ohio Core obtained by Eclipse Resources. Please see the following report for additional details: Brown, S.; Crandall, D.; Moore, J.; Mackey, P.; Carr, T.; Panetta, B. CT Scanning and Geophysical Measurements of the Utica Formation from the Herrick 3H Well; NETL-TRS-X-2018; NETL Technical Report Series; U.S. Department of Energy, National Energy Technology Laboratory: Morgantown, WV, 2018; p 94.

Computed Tomography↗

Evaluation of the FIR Example using Xilinx Vivado High-Level Synthesis Compiler

Compared to central processing units (CPUs) and graphics processing units (GPUs), field programmable gate arrays (FPGAs) have major advantages in reconfigurability and performance achieved per watt. This development flow has been augmented with high-level synthesis (HLS) flow that can convert programs written in a high-level programming language to Hardware Description Language (HDL). Using high-level programming languages such as C, C++, and OpenCL for FPGA-based development could allow software developers, who have little FPGA knowledge, to take advantage of the FPGA-based application acceleration. This improves developer productivity and makes the FPGA-based acceleration accessible to hardware and software developers. Xilinx Vivado HLS compiler is a high-level synthesis tool that enables C, C++ and System C specification to be directly targeted into Xilinx FPGAs without the need to create RTL manually. The white paper [1] published recently by Xilinx uses a finite impulse response (FIR) example to demonstrate the variable-precision features in the Vivado HLS compiler and the resource and power benefits of converting floating point to fixed point for a design. To get a better understanding of variable-precision features in terms of resource usage and performance, this report presents the experimental results of evaluating the FIR example using Vivado HLS 2017.1 and a Kintex Ultrascale FPGA. In addition, we evaluated the half-precision floating-point data type against the double-precision and single-precision data type and present the detailed results.

97 MATHEMATICS AND COMPUTING↗