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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

OpenARC: Extensible OpenACC Compiler Framework for Directive-Based Accelerator Programming Study

Directive-based, accelerator programming models such as OpenACC have arisen as an alternative solution to program emerging Scalable Heterogeneous Computing (SHC) platforms. However, the increased complexity in the SHC systems incurs several challenges in terms of portability and productivity. This paper presents an open-sourced OpenACC compiler, called OpenARC, which serves as an extensible research framework to address those issues in the directive-based accelerator programming. This paper explains important design strategies and key compiler transformation techniques needed to implement the reference OpenACC compiler. Moreover, this paper demonstrates the efficacy of OpenARC as a research framework for directive-based programming study, by proposing and implementing OpenACC extensions in the OpenARC framework to 1) support hybrid programming of the unified memory and separate memory and 2) exploit architecture-specific features in an abstract manner. Porting thirteen standard OpenACC programs and three extended OpenACC programs to CUDA GPUs shows that OpenARC performs similarly to a commercial OpenACC compiler, while it serves as a high-level research framework.

Lee, Seyong↗
DOE OSTI2012

AGR-2: The first irradiation of French HTR fuel in Advanced Test Reactor

AGR-2, the second irradiation of the US program for qualification of the NGNP fuel, is open to international participation within the scope of the Generation IV International Forum. In this frame, it includes in its multi-capsule irradiation rig an irradiation of French HTR fuel manufactured in the CAPRI line (GAIA facility at CEA/Cadarache and AREVA/CERCA compacting line at Romans). The AGR-2 irradiation is designed to place our first fabrications of HTR particles under operating conditions that are representative of ANTARES project while keeping close to the test range of the German fuel as much as possible, which is the reference in terms of irradiation behavior. A few batches of particles and 12 fuel compacts were produced and characterized in 2009 by CEA and CERCA. The fuel main characteristics are in conformity with our specifications and in compliance with INL requirements. The AGR-2 experiment is based on the design and devices used in the first experiment of the AGR program. The design makes it possible to monitor the irradiation conditions and in particular, the temperature, the power and the fission products released from fuel particles. The in pile equipment consists of a multi-capsule device designed to simultaneously irradiate six independent capsules with temperature control. The out-of-core part consists of the equipment for actively controlling temperature and measuring the fission products release on-line. The target conditions for the irradiation experiment were defined with the aim of comparing the results obtained under irradiation with German particles along with the objectives of reaching burn-up and fluence targets to validate the behavior of our fuel in a significant range (15% FIMA – 5 × 1025 n/m2 at 600 EFPD with centerline fuel temperature about 1100 degrees C). These conditions have to be representative of ANTARES project characteristics. These target conditions were compared with final results from neutron and thermal design studies performed by INL team, and preliminary thermal mechanical ATLAS calculations were carried out by CEA from this pre-design. Despite the mean burn-up achieved in approximately 600 EFPD being a little high (16.3% FIMA max. associated with a low fluence up to 2.85 × 1025 n/m2), this irradiation will nevertheless encompass the range of irradiation effects covered in our experimental objectives (maximum stress peak at start of irradiation then sign inversion of the stress in the SiC layer). In addition, the fluence and burn-up acceleration factors are very similar to those of the German reference experiments. This experimental irradiation began in July 2010 in the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) and first results have been acquired.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Controlling protein assembly on inorganic crystals through designed protein interfaces

The ability of proteins and other macromolecules to interact with inorganic surfaces is critical to biological function. The proteins involved in these interactions are highly charged and often rich in carboxylic acid side chains1–5, but the structures of most protein-inorganic interfaces are unknown. We explored the possibility of systematically designing structured protein-mineral interfaces guided by the example of ice-binding proteins, which present arrays of threonine residues matched to the ice lattice that order clathrate waters into an ice-like structure6. We designed proteins displaying arrays of up to 54 carboxylate residues geometrically matched to the K+ sub-lattice on muscovite mica (001). At low [K+] individual molecules bind independently to mica in the designed orientations, while at high [K+], the designs form 2D liquid-crystal phases, which accentuate the inherent structural bias in the muscovite lattice to produce protein arrays ordered over tens of millimeters. Incorporation of designed protein-protein interactions preserving the match between the proteins and the K+ lattice led to extended self-assembled structures on mica: designed end-to-end interactions produced micron long single protein-diameter wires, and a designed trimeric interface yielded extensive honeycomb arrays. The nearest neighbor distances in these hexagonal arrays could be set digitally between 7.5 and 15.9 nm with 2.1 nm selectivity by changing the number of repeat units in the monomer. These results demonstrate that protein-inorganic lattice interactions can be systematically programmed and set the stage for designing protein-inorganic hybrid materials.

Pyles, Harley↗
DOE OSTI2012

Multi-Year SSL Market Development Support Plan

This plan sets out a strategic, five year framework for guiding DOE's market development support activities for high-performance solid-state lighting (SSL) products for the U.S. general illumination market. The market development support activities described in this plan, which span federal fiscal years 2012 to 2016, are intended to affect the types of SSL general illumination products adopted by the market, to accelerate commercial adoption of those products, and to support appropriate application of those products to maximize energy savings. DOE has established aggressive FY16 goals for these activities, including goals for the types of products brought to market, the market adoption of those products, and the energy savings achieved through use of SSL products. These goals are for the combined effect of DOE's SSL market development support and R and D investment, as well as the leveraged activities of its partners. Goals include: (1) inducing the market introduction of SSL products achieving 140 lumens per Watt (lm/W) for warm white products, and 155 lm/W for cool white products, and (2) inducing sales of high-performance SSL products that achieve annual site electricity savings of 21 terawatt hours (0.25 quadrillion Btus primary energy) by FY16. To overcome identified market barriers and to achieve the above five year goals, DOE proposes to carry out the following strategy. DOE will implement a multi-year program to accelerate adoption of good quality, high performance SSL products that achieve significant energy savings and maintain or improve lighting quality. Relying on lessons learned from past emerging technology introductions, such as compact fluorescent lamps, and using newly developed market research, DOE will design its efforts to minimize the likelihood that the SSL market will repeat mistakes that greatly delayed market adoption of earlier emerging technology market introductions. To achieve the maximum effect per dollar invested, DOE will work closely with lighting industry organizations 'such as the Next Generation Lighting Industry Alliance, North American Illuminating Engineering Society, and the International Association of Lighting Designers' and with other government programs seeking to improve lighting energy efficiency. While DOE will work closely with these organizations and others from lighting and electric utility industry, the program will focus primarily on assisting buyers of SSL products and others acting on their behalf because satisfied buyers are essential to the success of SSL market adoption. The work product of DOE's efforts will primarily be information, of the right type, at the right time, and provided efficiently to those who can best use it. A secondary work product of DOE's program will be market opportunities, in which DOE will seek to reduce the risks and costs for manufacturers of SSL products to sell good quality, high performance products to motivated buyers. In short, DOE plans to implement a multi-year program that produces highly useful and widely available information for buyers and their agents, while producing important market opportunities for producers, avoids the mistakes of the past, and is closely coordinated with industry and government. The market needs and the overall strategy were used for deciding which types of programs and projects DOE should create, and what general form they should take. Progress toward achieving plan goals with the above program elements will be monitored and periodically reported.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Use of advanced optimization algorithms for the design of critical experiments

The need for validating molybdenum and rhodium cross sections in the thermal energy range has arisen for many years for reprocessing activities and burnup credit calculations. An Integral Experimental Request (IER) sheet was submitted by IRSN to the NCSP (Nuclear Criticality Safety Program) in 2015. A preliminary design was therefore proposed for review. In order to define experiments that meet the requirements and that exhibit optimized sensitivities of k{sub eff} to the capture cross sections of {sup 95}Mo and {sup 103}Rh, advanced algorithms of the PROMETHEE workbench, developed at IRSN, were used. The methodology as well as the main results are presented in this paper, which focuses only on the molybdenum experiments design. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2011

Role of Modeling When Designing for Absolute Energy Use Intensity Requirements in a Design-Build Framework: Preprint

The Research Support Facility was designed to use half the energy of an equivalent minimally code-compliant building, and to produce as much renewable energy as it consumes on an annual basis. These energy goals and their substantiation through simulation were explicitly included in the project's fixed firm price design-build contract. The energy model had to be continuously updated during thedesign process and to match the final building as-built to the greatest degree possible. Computer modeling played a key role throughout the design process and in verifying that the contractual energy goals would be met within the specified budget. The main tool was a whole building energy simulation program. Other models were used to provide more detail or to complement the whole buildingsimulation tool. Results from these specialized models were fed back into the main whole building simulation tool to provide the most accurate possible inputs for annual simulations. This paper will detail the models used in the design process and how they informed important program and design decisions on the path from preliminary design to the completed building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Optimal Membrane Cascade Design for Critical Mineral Recovery Through Logic-based Superstructure Optimization

Critical minerals and rare earth elements play an important role in our climate change initiatives, particularly in applications related with energy storage. Here, we use discrete optimization approaches to design a process for the recovery of Lithium and Cobalt from battery recycling, through membrane separation. Our contribution involves proposing a Generalized Disjunctive Programming (GDP) model for the optimal design of a multistage diafiltration cascade for Li-Co separation. By solving the resulting nonconvex mixed-integer nonlinear program model to global optimality, we investigated scalability and solution quality variations with changes in the number of stages and elements per stage. Results demonstrate the computational tractability of the nonlinear GDP formulation for design of membrane separation processes while opening the door for decom-position strategies for multicomponent separation cascades. Future work aims to extend the GDP formulation to account for stage installation and explore various decomposition techniques to enhance solution efficiency.

Ovalle, Daniel↗
DOE OSTI2019

WBS 4.2.1.31 Integrated Life Cycle Sustainability Analysis

The main objective of this project (following the 2017 BETO Program Peer-Review) is to provide BETO with a coherent methodology and modeling framework based on life cycle (LCA) and economic input-output analysis, tested and vetted with stakeholders, to better understand the effects of an expanding U.S. bioeconomy at specific levels including economic dimensions such as jobs, gross domestic product (value added), and environmental criteria such as air pollutant emissions, water and land use, ecotoxicity, and others. This supports a 2019 milestone in the BETO MYP and simultaneously addresses a gap previously identified in the BETO program and highlighted, e.g., by BETO Program Peer Reviewers in 2015 and 2017. To fill in this gap, NREL started collaborating with developers of the national level U.S. Environmentally-Extended Input-Output (USEEIO) model in FY18. This peer-reviewed, open source model is based on publicly available data, and developed and maintained by U.S. EPA where it has been the basis for EPA's Sustainable Material Management analyses and program. Also, USEEIO was initially designed for use with EPA's Tool for the Reduction and Assessment of Chemicals and Other Environmental Impacts (TRACI). It aligns well with similar efforts including the Federal LCA Commons and the Sustainable Acquisition Program at the Department of Defense (DoD). In FY18, NREL convened stakeholders from federal agencies, universities, and private sector entities to identify and form a common understanding of (1) models describing the U.S. economy and how to build off of them, (2) a bioeconomy definition for the next modeling steps, (3) the (sub)sectors that can/should be used in the framework, and (4) opportunities for collaboration and data sharing. NREL then created a first order model by disaggregating, i.e., separating the economic activities associated with and attributed to a selected product of the bioeconomy: corn ethanol. Corn ethanol is well studied and has a significant amount of public, validated economic industry information. This is important as disaggregation is a critical step in creating a representative and accurate framework. Corn ethanol served as a validation test case for the method and framework. By the end of FY18, the team was able to generate several scenarios for corn ethanol on national and selected regional levels providing results on the absolute and relative (Megajoule) effects in several environmental and economic impact categories. A second objective of the project is to inform BETO's strategic decision making, specifically its sustainability research portfolio, by engaging in, evaluating, and synthesizing selected global multi-year activities from the perspectives of a variety of complex multilateral and multi-stakeholder processes that pertain to bioenergy. This helps to (1) identify gaps, barriers, and critical areas for future BETO bioenergy and sustainability assessments; (2) identify opportunities and challenges to a sustainable U.S. bioeconomy; and (3) contribute to and disseminate BETO information to and from major global bioenergy and sustainability efforts. This project's work with multilateral organizations ensures that U.S. science-based viewpoints are considered and helps to balance the influence of the large number of countries with the same centralized philosophy. This engagement builds a more solid foundation for sustainable biomass and bioenergy systems in the U.S. and in the world. Working with multi-lateral, international platforms including IEA Bioenergy, Global Bio-Energy Partnership (GBEP), and their partner organizations also allows engagement with important stakeholders including policy makers, industry, NGOs, and academia.

09 BIOMASS FUELS↗
DOE OSTI2013

A Charge Separation Study to Enable the Design of a Complete Muon Cooling Channel

The most promising designs for 6D muon cooling channels operate on a specific sign of electric charge. In particular, the Helical Cooling Channel (HCC) and Rectilinear RFOFO designs are the leading candidates to become the baseline 6D cooling channel in the Muon Accelerator Program (MAP). Time constraints prevented the design of a realistic charge separator, so a simplified study was performed to emulate the effects of charge separation on muons exiting the front end of a muon collider. The output of the study provides particle distributions that the competing designs will use as input into their cooling channels. We report here on the study of the charge separator that created the simulated particles.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Coil End Parts Development Using BEND and Design for MQXF by LARP

End parts are critical components for saddle-shaped coils. They have a structural function where the cables are deformed in order to cross over the magnet aperture. Based on the previous design of the US LARP program for 90 mm aperture quadrupoles (TQ/LQ) and 120 mm aperture quadrupoles (HQ/LHQ) using BEND, the coil ends of the low-β quadruples (MQXF) for the HiLumi LHC upgrade were developed. This paper shows the design of the MQXF coil ends, the analysis of the coil ends during the coil fabrication, the autopsy analysis of the coil ends and the feedback to BEND parameters.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Solar Photovoltaic Systems in Hurricanes and Other Severe Weather

Field examinations of hurricane-damaged photovoltaic systems have revealed important design, construction, and operational factors that greatly influence a system's survivability from a severe weather event. The U.S. Department of Energy Federal Energy Management Program (FEMP) is expanding its recommended design specifications to include factors and best practices for system survivability identified from 2017 hurricanes. This fact sheet provides an overview of the upcoming additions to these design specifications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

An updated LLVM-based quantum research compiler with further OpenQASM support

Abstract Quantum computing is a rapidly growing field with the potential to change how we solve previously intractable problems. Emerging hardware is approaching a complexity that requires increasingly sophisticated programming and control. Scaffold is an older quantum programming language that was originally designed for resource estimation for far-future, large quantum machines, and ScaffCC is the corresponding LLVM-based compiler. For the first time, we provide a full and complete overview of the language itself, the compiler as well as its pass structure. While previous works Abhari et al (2015 Parallel Comput. 45 2–17), Abhari et al (2012 Scaffold: quantum programming language https://cs.princeton.edu/research/techreps/TR-934-12 ), have piecemeal descriptions of different portions of this toolchain, we provide a more full and complete description in this paper. We also introduce updates to ScaffCC including conditional measurement and multidimensional qubit arrays designed to keep in step with modern quantum assembly languages, as well as an alternate toolchain targeted at maintaining correctness and low resource count for noisy-intermediate scale quantum (NISQ) machines, and compatibility with current versions of LLVM and Clang. Our goal is to provide the research community with a functional LLVM framework for quantum program analysis, optimization, and generation of executable code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Design studies and commissioning plans for plasma acceleration research station experimental program

Plasma acceleration research station is an electron beam driven plasma wakefield acceleration test stand proposed for CLARA facility in Daresbury Laboratory. In this paper, the interaction between the electron beam and the plasma is numerically characterised via 2D numerical studies by using VSIM code. The wakefields induced by a single bunch travelling through the plasma were found to vary from 200 MV/m to 3 GV/m for a range of bunch length, bunch radius, and plasma densities. Energy gain for the particles populating the bunch tail through the wakefields driven by the head of the bunch was demonstrated. After determining the achievable field for various beams and plasma configurations, a reference setting was determined for further studies. Considering this reference setting, the beam quality studies were performed for a two-bunch acceleration case. The maximum energy gain as well as the energy spread mitigation by benefiting from the beam loading was investigated by positioning the witness and driver bunches with respect to each other. Emittance growth mechanisms were studied considering the beam-plasma and beam-wakefield interactions. Eventually, regarding the findings, the initial commissioning plans and the aims for the later stages were summarised.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

MO-D-213-07: RadShield: Semi- Automated Calculation of Air Kerma Rate and Barrier Thickness

Purpose: To develop the first Java-based semi-automated calculation program intended to aid professional radiation shielding design. Air-kerma rate and barrier thickness calculations are performed by implementing NCRP Report 147 formalism into a Graphical User Interface (GUI). The ultimate aim of this newly created software package is to reduce errors and improve radiographic and fluoroscopic room designs over manual approaches. Methods: Floor plans are first imported as images into the RadShield software program. These plans serve as templates for drawing barriers, occupied regions and x-ray tube locations. We have implemented sub-GUIs that allow the specification in regions and equipment for occupancy factors, design goals, number of patients, primary beam directions, source-to-patient distances and workload distributions. Once the user enters the above parameters, the program automatically calculates air-kerma rate at sampled points beyond all barriers. For each sample point, a corresponding minimum barrier thickness is calculated to meet the design goal. RadShield allows control over preshielding, sample point location and material types. Results: A functional GUI package was developed and tested. Examination of sample walls and source distributions yields a maximum percent difference of less than 0.1% between hand-calculated air-kerma rates and RadShield. Conclusion: The initial results demonstrated that RadShield calculates air-kerma rates and required barrier thicknesses with reliable accuracy and can be used to make radiation shielding design more efficient and accurate. This newly developed approach differs from conventional calculation methods in that it finds air-kerma rates and thickness requirements for many points outside the barriers, stores the information and selects the largest value needed to comply with NCRP Report 147 design goals. Floor plans, parameters, designs and reports can be saved and accessed later for modification and recalculation. We have confirmed that this software accurately calculates air-kerma rates and required barrier thicknesses for diagnostic radiography and fluoroscopic rooms.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Creative absorber design and optimization for CO 2 capture with aqueous piperazine

The Texas Carbon Management Program is preparing a Front-End Engineering Design (FEED) of the PZASTM (Piperazine with the Advanced Stripper TM ) for CO 2 capture at a natural gas combined cycle power plant in West Texas. This paper develops the absorber design for the capture system and studies the operational strategies of the absorber in response to ambient temperature swing. The design uses 2 absorber trains, and each train integrates absorption and a water-wash section in one column. Each column has a cross-section area of 174 m 2 and consists of 3 sections of MellapakPlus® 252Y structured packing. Packing heights for each section are 3, 4.9, and 2.7 m from top to bottom. A pump-around intercooler applied at the bottom bed circulates solvent and eliminates the direct contact cooler. The baseline CO 2 removal rate is 90% and will vary between 78% and 90% with ambient temperature. The system uses air cooling to eliminate cooling water usage. The water balance in the system will be managed by operating the water wash at a high circulation rate (1300 kg/h) to condense water during the night and make up for water loss during the day. Finally, the proposed design reduces the capital cost of the absorber column by minimizing the packing height and eliminating the direct contact cooler (DCC), and improves the energy cost by lowering the pump-around intercooling temperature and increasing the pump-around rate.

03 NATURAL GAS↗
DOE OSTI2014

DOE-RCT-0003641 Final Technical Report

This program studied novel concepts for an Axial Flux Reluctance Machine to capture energy from marine hydrokinetic sources and compared their attributes to a Radial Flux Reluctance Machine which was designed under a prior Department of Energy program for the same application. Detailed electromagnetic and mechanical analyses were performed to determine the validity of the concept and to provide a direct comparison with the existing conventional Radial Flux Switched Reluctance Machine designed during the Advanced Wave Energy Conversion Project, DE-EE0003641. The alternate design changed the machine topology so that the flux that is switched flows axially rather than radially and the poles themselves are long radially, as opposed to the radial flux machine that has pole pieces that are long axially. It appeared possible to build an axial flux machine that should be considerably more compact than the radial machine. In an “apples to apples” comparison, the same rules with regard to generating magnetic force and the fundamental limitations of flux density hold, so that at the heart of the machine the same torque equations hold. The differences are in the mechanical configuration that limits or enhances the change of permeance with rotor position, in the amount of permeable iron required to channel the flux via the pole pieces to the air-gaps, and in the sizing and complexity of the electrical winding. Accordingly it was anticipated that the magnetic component weight would be similar but that better use of space would result in a shorter machine with accompanying reduction in housing and support structure. For the comparison the pole count was kept the same at 28 though it was also expected that the radial tapering of the slots between pole pieces would permit a higher pole count machine, enabling the generation of greater power at a given speed in some future design. The baseline Radial Flux Machine design was established during the previous DOE program. Its characteristics were tabulated for use in comparing to the Axial Flux Machine. Three basic conceptual designs for the Axial Flux Machine were considered: (1) a machine with a single coil at the inner diameter of the machine, (2) a machine with a single coil at the outside diameter of the machine, and (3) a machine with a coil around each tooth. Slight variations of these basic configurations were considered during the study. Analysis was performed on these configurations to determine the best candidate design to advance to preliminary design, based on size, weight, performance, cost and manufacturability. The configuration selected as the most promising was the multi-pole machine with a coil around each tooth. This configuration provided the least complexity with respect to the mechanical configuration and manufacturing, which would yield the highest reliability and lowest cost machine of the three options. A preliminary design was performed on this selected configuration. For this first ever axial design of the multi rotor configuration the 'apples to apples' comparison was based on using the same length of rotor pole as the axial length of rotor pole in the radial machine and making the mean radius of the rotor in the axial machine the same as the air gap radius in the radial machine. The tooth to slot ratio at the mean radius of the axial machine was the same as the tooth to slot ratio of the radial machine. The comparison between the original radial flux machine and the new axial flux machine indicates that for the same torque, the axial flux machine diameter will be 27% greater, but it will have 30% of the length, and 76% of the weight. Based on these results, it is concluded that an axial flux reluctance machine presents a viable option for large generators to be used for the capture of wave energy. In the analysis of Task 4, below, it is pointed out that our selection of dimensional similarity for the 'apples to apples' comparison did not produce an optimum axial flux design. There is torque capability to spare, implying we could reduce the magnetic structure, but the winding area, constrained by the pole separation at the inner pole radius has a higher resistance than desirable, implying we need more room for copper. The recommendation is to proceed via one cycle of optimization and review to correct this unbalance and then proceed to a detailed design phase to produce manufacturing drawings, followed by the construction of a prototype to test the performance of the machine against predicted results.

16 TIDAL AND WAVE POWER↗