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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

COMPOSE-HPC: A Transformational Approach to Exascale

The goal of the COMPOSE-HPC project is to 'democratize' tools for automatic transformation of program source code so that it becomes tractable for the developers of scientific applications to create and use their own transformations reliably and safely. This paper describes our approach to this challenge, the creation of the KNOT tool chain, which includes tools for the creation of annotation languages to control the transformations (PAUL), to perform the transformations (ROTE), and optimization and code generation (BRAID), which can be used individually and in combination. We also provide examples of current and future uses of the KNOT tools, which include transforming code to use different programming models and environments, providing tests that can be used to detect errors in software or its execution, as well as composition of software written in different programming languages, or with different threading patterns.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

Cementitious Barriers Partnerships (FY2015 Mid-Year Status Report)

The DOE-EM Office of Tank Waste Management Cementitious Barriers Partnership (CBP) is chartered with providing the technical basis for implementing cement-based waste forms and radioactive waste containment structures for long-term disposal. Therefore, the CBP ultimate purpose is to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex. This status report highlights the CBP 2015 Software and Experimental Program efforts and accomplishments that support DOE needs in environmental cleanup and waste disposal. DOE needs in this area include: Long-term performance predictions to provide credibility (i.e., a defensible technical basis) for regulator and DOE review and approvals, Facility flow sheet development/enhancements, and Conceptual designs for new disposal facilities. In 2015, the CBP plans to release its newest version, the CBP Software Toolbox – “Version 3.0”, which will include new STADIUM carbonation and damage models, a new SRNL module for transport properties and flow in fractured and in-tact cementitious materials, and a new LeachXS/ORCHESTRA (LXO) oxidation module. In addition, improved STADIUM sulfate attack and chloride models will be included. This is in addition to the LXO modules for sulfate attack, carbonation, constituent leaching, and percolation with radial diffusion (for leaching and transport in cracked cementitious materials), of which will also be improved for Version 3.0. These STADIUM and LXO models are applicable and can be used by both DOE and the Nuclear Regulatory Commission (NRC) for service life and long-term performance evaluations and predictions of nuclear and radioactive waste containment structures across the DOE complex. In 2015, the Cementitious Barriers Partnership is providing tangible progress toward fulfilling the objective of developing a set of software tools and experimental programs to improve understanding and prediction of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. To reflect this progress, CBP partners authored and are currently drafting many reports including six papers that were presented at WM2015.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

A New Model to Determine Installed System Cost and LCOE for ARPA-E's MOSAIC Micro-Concentrator PV Program: Preprint

The US Department of Energy's Advanced Research Projects Agency-Energy (ARPA-E) started a three-year program in December 2015 called Microscale Optimized Solar-cell Arrays with Integrated Concentration (MOSAIC). It consists of 11 teams from across the United States. Its goal is to have project teams leverage expertise from conventional flat-plate photovoltaic (PV) system configuration and concentrated photovoltaic (CPV) module technology to produce a new class of modules for residential, commercial, and utility-scale markets. The intent is to increase performance and facilitate cost-effective deployment of solar power systems across a wide range of geographical locations in part by concentrating both direct and diffuse components of the sun's irradiance. This paper describes a collaboration of ARPA-E and the National Renewable Energy Laboratory (NREL) to develop a bottom-up system cost model for MOSAIC research teams. The model includes an estimate of regional, all-in, CPV installed cost, and levelized cost of energy (LCOE) by using customized inputs parameters, such as module efficiency, cost, and physical dimensions. This techno-economic cost model can help researchers analyze tradeoffs among different design parameters and then prioritize their distinct research opportunities. Moreover, it establishes a standardized cost benchmarking for MOSAIC micro-CPV systems and a normalized comparison against traditional CPV and today's highly competitive flat-plate PV systems. The model is a valuable design tool within the program, helping validate the various technical approaches and compare future deployed system competitiveness versus incumbent technologies in the PV industry.

14 SOLAR ENERGY↗
DOE OSTI2020

Paradox of sustainability in tobacco control in Thailand: A comprehensive assessment of three-decade experiences

Background: Over the past three decades of tobacco control, Thailand has gained international recognition as a middle-income country with sustained achievement of declining smoking prevalence. However, the number of key FCTC measures implementation is still far away from the highest-level implementation. As a result, we aim to explore explanatory factors for the paradoxical phenomenon of sustainability in tobacco control in Thailand, to understand what the paradox means, why it happens, and how to take further steps in minimizing the paradox. Methods: We used a mixed-method approach comprising qualitative (review of literature and documents plus Program Sustainability Assessment Tool (PSAT) guided key informant interviews) and semi-quantitative methods (PSAT scoring, Theory of change (TOC), and causal-loop diagram (CLD)) to synthesize all the findings from the qualitative data. Results: Across all eight domains, sustainability scores at the local level are lower than the national level. The highest total score was in three domains: political support, partnership, and organizational capacity. The lowest total score was for the strategic planning domain. We propose a set of key strategic elements and drivers for future strategic planning. Discussion: Using CLD, we capture a high-level view of tobacco control with dynamic interactions between contexts, mechanisms, interventions, and outcomes. Finally, we believe the deep understanding of tobacco control and the proposed strategy to counteract transnational tobacco companies in Thailand will guide future sustainable actions to reduce the prevalence of smoking, especially in the strategic planning domain that has the lowest PSAT score.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1999

Common Analysis Tool Being Developed for Aeropropulsion: The National Cycle Program Within the Numerical Propulsion System Simulation Environment

The NASA Lewis Research Center is developing an environment for analyzing and designing aircraft engines-the Numerical Propulsion System Simulation (NPSS). NPSS will integrate multiple disciplines, such as aerodynamics, structure, and heat transfer, and will make use of numerical "zooming" on component codes. Zooming is the coupling of analyses at various levels of detail. NPSS uses the latest computing and communication technologies to capture complex physical processes in a timely, cost-effective manner. The vision of NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. Through the NASA/Industry Cooperative Effort agreement, NASA Lewis and industry partners are developing a new engine simulation called the National Cycle Program (NCP). NCP, which is the first step toward NPSS and is its initial framework, supports the aerothermodynamic system simulation process for the full life cycle of an engine. U.S. aircraft and airframe companies recognize NCP as the future industry standard common analysis tool for aeropropulsion system modeling. The estimated potential payoff for NCP is a $50 million/yr savings to industry through improved engineering productivity.

Follen, Gregory J.↗
DOE OSTI2017

Coupled Physics Simulation of Expansive Reactions in Concrete with the Grizzly Code

The Grizzly code is being developed under the US Department of Energy’s Light Water Sustainability program as a tool to model aging mechanisms and their effects on the integrity of critical nuclear power plant components. An important application for Grizzly is the modeling of aging in concrete structures, which can be due to a number of mechanisms. Initial focus in this area has been on modeling expansive reactions due to alkali-silica reactions or radiation-induced volumetric expansion. Grizzly is an inherently multiphysics modeling platform that naturally permits including the effects of multiple coupled physics in a simulation. Models have been developed for transport of heat and moisture in concrete, and these have been coupled and used as inputs to models for expansive reactions. This paper summarizes this capability as well as work currently underway to couple it with mechanical deformation models that account for nonlinear constitutive behavior.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

An Efficient Algorithm for Automatic Structure Optimization in X-ray Standing-Wave Experiments

We present that x-ray standing-wave photoemission experiments involving multilayered samples are emerging as unique probes of the buried interfaces that are ubiquitous in current device and materials research. Such data require for their analysis a structure optimization process comparing experiment to theory that is not straightforward. In this work, we present a new computer program for optimizing the analysis of standing-wave data, called SWOPT, that automates this trial-and-error optimization process. The program includes an algorithm that has been developed for computationally expensive problems: so-called black-box simulation optimizations. It also includes a more efficient version of the Yang X-ray Optics Program (YXRO) [Yang, S.-H., Gray, A.X., Kaiser, A.M., Mun, B.S., Sell, B.C., Kortright, J.B., Fadley, C.S., J. Appl. Phys. 113, 1 (2013)] which is about an order of magnitude faster than the original version. Human interaction is not required during optimization. We tested our optimization algorithm on real and hypothetical problems and show that it finds better solutions significantly faster than a random search approach. The total optimization time ranges, depending on the sample structure, from minutes to a few hours on a modern laptop computer, and can be up to 100x faster than a corresponding manual optimization. Finally, these speeds make the SWOPT program a valuable tool for realtime analyses of data during synchrotron experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Geophysical monitoring using active seismic techniques at the Citronelle Alabama CO 2 storage demonstration site

Between August 2012 and September 2014, about 114,000 metric tonnes of CO 2 was captured from the coal-fired Plant Barry Power Station at Bucks Alabama and injected into the Paluxy Formation above the oil pool in the southeast unit of the Citronelle Oilfield. Various monitoring methods were deployed at land surface and in project wells to measure system performance, comply with permit requirements and test new and innovative monitoring tools. The monitoring program relied heavily on active seismic methods for subsurface imaging of geologic structure and time-lapse seismic techniques to track the CO 2 migration in the injection interval. Both conventional geophone/hydrophone and fiber-optic based Distributed Acoustic Sensing (DAS) arrays were deployed and tested, allowing a side by side comparison of the equipment and techniques. Geophysical imaging of the subsurface was successful using DAS in the offset vertical seismic profile (OVSP) survey configuration. A high resolution OVSP image of the subsurface was obtained in 2014 with DAS, which exceeded project expectations in comparison to a lower resolution image obtained in 2012 using a conventional 80-level geophone array. A time-lapse image of the redistribution of CO 2 after injection ended in September 2014 was obtained with two DAS OVSP surveys from June 2014 and December 2015, thus successfully demonstrating its proof-of-concept. Unfortunately, a pre-injection baseline survey with DAS, which was in its initial stage of technology development in 2012, did not have sufficient quality for use, making it difficult to interpret the acquired DAS time-lapse difference. Additional research in this area has since demonstrated the utility of time-lapse DAS OVSP. DAS data were also acquired during a cross-well seismic survey conducted in 2014. Unfortunately, the DAS technique was not success in the cross-well survey configuration because the system noise level was too high in the crosswell frequency output range (100–1200 Hz) of the piezoelectric source (increasing by a factor of ten compared to VSP frequency band). Additionally, the cross-well geometry causes sub-horizontal (broadside) incidence on the vertical DAS fiber cable, which is known to be problematic. Current research is focused on improving the DAS cable response to broadside acoustic energy. Time-lapse seismic surveys using commercially available conventional arrays were also acquired. In contrast to the DAS acquired data, the cross-well seismic results obtained with the conventional array was highly successful and clearly showed the CO 2 remained in zone at the end of injection. Time-lapse differencing of the OSVP surveys acquired with the conventional arrays proved to be inconclusive. Finally, changes in wellbore conditions between surveys and unavoidable changes in equipment (the array used for the baseline survey was retired) affected data quality, making it difficult to interpret the OVSP results.

58 GEOSCIENCES↗
DOE OSTI2014

Wide-frequency range, dynamic matching network and power system for the “Shoelace” radio frequency antenna on the Alcator C-Mod tokamak

A wide-frequency range (50–300 kHz) power system has been implemented for use with a new RF antenna – the “Shoelace” antenna – built to drive coherent plasma fluctuations in the edge of the Alcator C-Mod tokamak. A custom, dynamically tunable matching network allows two commercial 1 kW, 50-Ω RF amplifiers to drive the low-impedance, inductive load presented by the antenna. This is accomplished by a discretely variable L-match network, with 81 independently selected steps available for each of the series and parallel legs of the matching configuration. A compact programmable logic device provides a control system that measures the frequency with better than 1 kHz accuracy and transitions to the correct tuning state in less than 1 ms. At least 85% of source power is dissipated in the antenna across the operational frequency range, with a minimum frequency slew rate of 1 MHz/s; the best performance is achieved in the narrower band from 80 to 150 kHz which is of interest in typical experiments. The RF frequency can be run with open-loop control, following a pre-programmed analog waveform, or phase-locked to track a plasma fluctuation diagnostic signal in real time with programmable phase delay; the amplitude control is always open-loop. The control waveforms and phase delay are programmed remotely. These tools have enabled first-of-a-kind measurements of the tokamak edge plasma system response in the frequency range and at the wave number at which coherent fluctuations regulate heat and particle transport through the plasma boundary.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Path Optimization Along Lattices in Additive Manufacturing Using the Chinese Postman Problem

Here, we develop a method for programming minimal time tool paths for single-bead-wide extrusions in additive manufacturing (AM) along an arbitrary lattice. We present a graphical model of the three-dimensional (3D) printing process and use the solution to the Chinese Postman Problem (CPP) to optimize the motion of an extruder on a given mesh. We present some graph theory background and explain how to solve the CPP. We then present experimental results, in which we demonstrate the implementation of the CPP in 3D printing. Last, we explain how our graphical understanding of AM can be further utilized to achieve greater optimization in additive research.

3D printing↗
DOE OSTI2022

Noisy intermediate-scale quantum algorithms

A universal fault-tolerant quantum computer that can efficiently solve problems such as integer factorization and unstructured database search requires millions of qubits with low error rates and long coherence times. While the experimental advancement toward realizing such devices will potentially take decades of research, noisy intermediate-scale quantum (NISQ) computers already exist. These computers are composed of hundreds of noisy qubits, i.e., qubits that are not error corrected, and therefore perform imperfect operations within a limited coherence time. In the search for achieving quantum advantage with these devices, algorithms have been proposed for applications in various disciplines spanning physics, machine learning, quantum chemistry, and combinatorial optimization. The overarching goal of such algorithms is to leverage the limited available resources to perform classically challenging tasks. In this review, a thorough summary of NISQ computational paradigms and algorithms is provided. The key structure of these algorithms and their limitations and advantages are discussed. Finally, a comprehensive overview of various benchmarking and software tools useful for programming and testing NISQ devices is additionally provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SU-E-T-312: Dosimetric Consideration for the Agility MLC When Planning Rotational SRT/SBRT Treatments

Purpose: To analyze the radiation transmission of the Agility MLC and make recommendation based on the MLC dosimetric characteristics for SRT, SBRT and VMAT planning Method and Materials: Agility MLC is the newest model from Elekta and has no back up diaphragm behind leaves for this generation. Leaves are single focused with rounded end; composed of leafs each 0.5cm wide, 9cm thick, constructed from tungsten alloy and provide low transmission <0.5%. Total radiation transmission from leaves and diaphragm is <0.13%. A 360degree arc was generated using iCom tools; leaves were programmed closed while keeping the diaphragm fully open to maximize the MLC transmission effect. Gafchromic EBT films were sandwiched between 4cm of solid water and situated at midplane to take dose measurement. 5000MU was delivered using 6MV VersaHD, various collimator angles, and a 5cm central axis offset was tested also. Films were scanned with Epson 10000XL scanner and analyzed using DoseLab Pro. Results: Due to the rounded leaf end and nature of rotation therapy, dose accumulation through the leaf gap is significant. By offsetting the leaf gap from central axis, this accumulation can be greatly reduced. There are dark bands showing accumulation of interleaf transmission which is improved by increasing collimator angle from 0 to 45dgree. However for 45 degree, in most cases, there are larger volumes sweeping under MLC alone, which needs considered planning. Conclusions: While inter-leaf leakage is minimized by using collimator angles greater than 0 degrees, the location of the leaf gap must also be managed. The leaf gap position becomes critically important when the treatment area is off axis such is the case when more than one PTV is being treated. With VMAT for SRT, SBRT becoming a more popular planning technique, special attention needs to be paid when initially setting up the field geometry.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

MUPPET: An automated OpenMP mutation testing framework for performance optimization

MUPPET is a tool for OpenMP programs that identifies program modifications, called mutations, aimed at improving program performance. Existing performance optimization techniques, including profiling-based and auto-tuning techniques, fail to indicate program modifications at the source level thus preventing their portability across compilers. MUPPET aims to help HPC developers reason about performance defects and missed opportunities to improve performance at the source code level.

Parasyris, Konstantinos↗
DOE OSTI2025

Yeast Transformation on Hamilton Vantage (YT Vantage) v1

Our software program is designed for the Hamilton Vantage liquid handling robot, automating the Build step in the Design-Build-Test-Learn (DBTL) cycle for Saccharomyces cerevisiae. This program minimizes human intervention, enabling rapid identification of pathway bottlenecks and genes that enhance verazine production. The program takes competent yeast and plasmid DNA as input and generates an output library of engineered strains compatible with automated colony picking, high-throughput culturing, and chemical extraction for downstream LC-MS analysis. A user-friendly interface, developed using the Hamilton Method Editor software, allows for on-demand parameter customization. By automating this process, our program streamlines the construction of Saccharomyces cerevisiae, reducing manual labor and increasing efficiency. While the manual process is well-documented, integration with robotic automation is less common, making our program a valuable tool for researchers. With this software, we achieved 2-5 fold increases in verazine production, demonstrating its potential to accelerate research in this field.

Louie, Randy [Lawrence Berkeley National Laborator↗
DOE OSTI2013

Modeling and Evaluation of Geophysical Methods for Monitoring and Tracking CO2 Migration

Geological sequestration has been proposed as a viable option for mitigating the vast amount of CO 2 being released into the atmosphere daily. Test sites for CO 2 injection have been appearing across the world to ascertain the feasibility of capturing and sequestering carbon dioxide. A major concern with full scale implementation is monitoring and verifying the permanence of injected CO 2 . Geophysical methods, an exploration industry standard, are non-invasive imaging techniques that can be implemented to address that concern. Geophysical methods, seismic and electromagnetic, play a crucial role in monitoring the subsurface pre- and post-injection. Seismic techniques have been the most popular but electromagnetic methods are gaining interest. The primary goal of this project was to develop a new geophysical tool, a software program called GphyzCO2, to investigate the implementation of geophysical monitoring for detecting injected CO 2 at test sites. The GphyzCO2 software consists of interconnected programs that encompass well logging, seismic, and electromagnetic methods. The software enables users to design and execute 3D surface-to-surface (conventional surface seismic) and borehole-to-borehole (cross-hole seismic and electromagnetic methods) numerical modeling surveys. The generalized flow of the program begins with building a complex 3D subsurface geological model, assigning properties to the models that mimic a potential CO 2 injection site, numerically forward model a geophysical survey, and analyze the results. A test site located in Warren County, Ohio was selected as the test site for the full implementation of GphyzCO2. Specific interest was placed on a potential reservoir target, the Mount Simon Sandstone, and cap rock, the Eau Claire Formation. Analysis of the test site included well log data, physical property measurements (porosity), core sample resistivity measurements, calculating electrical permittivity values, seismic data collection, and seismic interpretation. The data was input into GphyzCO2 to demonstrate a full implementation of the software capabilities. Part of the implementation investigated the limits of using geophysical methods to monitor CO 2 injection sites. The results show that cross-hole EM numerical surveys are limited to under 100 meter borehole separation. Those results were utilized in executing numerical EM surveys that contain hypothetical CO 2 injections. The outcome of the forward modeling shows that EM methods can detect the presence of CO 2 .

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Report on Assessment of Environmentally Assisted Fatigue for LWR Extended Service Conditions

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This quarterly report is a deliverable in FY13 under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the Department of Energy LWRS program for developing tools to predict the aging/failure mechanism and to correspondingly predict the remaining life of LWR components for anticipated 60-80 year operation.

Mohanty, Subhasish↗
DOE OSTI2013

June 2013 Update: Status Report on Assessment of Environmentally Assisted Fatigue for LWR Extended Service Conditions

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This quarterly report is a deliverable in April-June 2013 quarter under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the Department of Energy LWRS program for developing tools to predict the aging/failure mechanism and to correspondingly predict the remaining life of LWR components for anticipated 60-80 year operation.

Mohanty, S.↗
DOE OSTI2014

Computation Annual Report (2013)

Computation provides the intellectual electricity that helps make Lawrence Livermore National Laboratory (LLNL) a thriving and innovative research and development (R&D) institution. Our hardware, software, and discipline experts are integrated into almost every field of research at LLNL. Our in-house programs, software applications, and support initiatives help achieve mission-critical national-security objectives for the U.S. Departments of Energy, Homeland Security, and Defense, as well as other federal and state agencies. We deliver comprehensive support to a wide set of scientific disciplines that include physical sciences (materials modeling, fluid dynamics), biology (genomic sequencing), mathematics (scalable algorithms), and computer sciences (parallel processing, real-time control systems). This year, we have expanded our outreach with high performance computing (HPC) collaborations and made great strides in our capabilities related to mathematical computation, control systems, and computation infrastructure, many of them in concert with partners in industry and academia. The Computation workforce remains highly motivated and passionate about melding computational expertise with cutting-edge science and technology to enable breakthroughs. 2013 has once again proven that Computation provides the foundation and support that are essential for productivity at LLNL. Every scientific discipline and program leverages the tools and expertise provided by our staff. We remain at the forefront of HPC moving towards exascale and have developed the infrastructure and proficiency to make this an achievable goal. Our researchers repeatedly deliver outstanding research, attracting collaborations with the biggest names in academia and industry, while joining forces with other national laboratories to further push the bounds of what is scientifically possible. Computation’s mission is echoed by the President of the United States in his assertion that “our future depends on reaffirming America’s role as the world’s engine of scientific discovery and technological innovation.” Driven by this lofty goal, we employ our state-of-the-art computational capabilities to ensure LLNL’s position as a global science and technology leader.

97 MATHEMATICS AND COMPUTING↗