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DOE OSTI2023

$\mathrm{RADICAL}$-Pilot and $\mathrm{PMIx}$/$\mathrm{PRRTE}$: Executing Heterogeneous Workloads at Large Scale on Partitioned $\mathrm{HPC}$ Resources

Execution of heterogeneous workflows on high-performance computing (HPC) platforms present unprecedented resource management and execution coordination challenges for runtime systems. Task heterogeneity increases the complexity of resource and execution management, limiting the scalability and efficiency of workflow execution. Re-source partitioning and distribution of tasks execution over portioned re-sources promises to address those problems but we lack an experimental evaluation of its performance at scale. Here this paper provides a performance evaluation of the Process Management Interface for Exascale (PMIx) and its reference implementation PRRTE on the leadership-class HPC plat-form Summit, when integrated into a pilot-based runtime system called RADICAL-Pilot. We partition resources across multiple PRRTE Distributed Virtual Machine (DVM) environments, responsible for launching tasks via the PMIx interface. We experimentally measure the work-load execution performance in terms of task scheduling/launching rate and distribution of DVM task placement times, DVM startup and termination overheads on the Summit leadership-class HPC platform. Integrated solution with PMIx/PRRTE enables using an abstracted, standardized set of interfaces for orchestrating the launch process, dynamic process management and monitoring capabilities. It extends scaling capabilities allowing to overcome a limitation of other launching mechanisms (e.g., JSM/LSF). Explored different DVM setup configurations provide insights on DVM performance and a layout to leverage it. Our experimental results show that heterogeneous workload of 65,500 tasks on 2048 nodes, and partitioned across 32 DVMs, runs steady with resource utilization not lower than 52%. While having less concurrently executed tasks resource utilization is able to reach up to 85%, based on results of heterogeneous workload of 8200 tasks on 256 nodes and 2 DVMs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Accelerator-Driven Subcritical System for Disposing of the U.S. Spent Nuclear Fuel Inventory

The current United States inventory of the spent nuclear fuel (SNF) is ~80,000 metric tons of heavy metal (MTHM), including ~131 tons of minor actinides (MAs) and ~669 tons of plutonium. This study describes a conceptual design of an accelerator-driven subcritical (ADS) system for disposing of this SNF inventory by utilizing the 131 tons of MAs inventory and a fraction of the plutonium inventory for energy production, and transmuting some long-lived fission products. An ADS system with a homogeneous subcritical fission blanket was first examined. A spallation neutron source is used to drive the blanket and it is produced from the interaction of a 1-GeV proton beam with a lead-bismuth eutectic (LBE) target. The blanket has a liquid mobile fuel using LBE as the fuel carrier. The fuel materials are dissolved, mixed, or suspended in the liquid fuel carrier. Monte Carlo analyses were performed to determine the overall parameters of the concept. Steady-state Monte Carlo simulations were performed for three similar fission blankets. Except for, the loaded amount of actinide materials in the LBE is either 5, 7, or 10% of the total volume of the blanket, respectively. The neutron multiplication factors of the three blankets are ~0.98 and the initial MAs blanket inventories are ~10 tons. In addition, Monte Carlo burnup simulations using the MCB5 code were performed to analyze the performance of the three conceptual ADS systems. During operation, fresh fuel was fed into the fission blanket to adjust its reactivity and to control the system power. The burnup analysis shows that the three ADS concepts consume about 1.2 tons of actinides per full power year and produce 3 GW thermal power, with a proton beam power of 25 MW. For the blankets with 5, 7, or 10% actinide fuel particles loaded in the LBE, assuming that the ADS systems can be operated for 35 full-power years, the total MA materials consumed in the three ADS systems are about 30.6, 35.3, and 37.2 tons, respectively. Thus, the corresponding numbers of ADS systems to utilize the 131 tons of MA materials of the SNF inventory are 4.3, 3.7, or 3.5, respectively. ADS concepts with tube bundles inserted in the fission blanket were analyzed to overcome the disadvantages of the homogeneous blanket concept. The liquid lead is used as the target material, the mobile fuel carrier, and the primary coolant to avoid the polonium production from bismuth. Reactor physics and thermal-hydraulic analyses were coupled to determine the parameters of the heterogeneous fission blanket. The engineering requirements for a satisfactory operation performance of the HT-9 ferritic steel structure material have been realized. Two heterogeneous concepts of the subcritical fission blanket with the liquid lead mobile fuel inside or outside the tube bundles were considered. The heterogeneous configuration with the mobile fuel inside the tubes showed better performance than the configuration with mobile fuel outside the bundle tubes. The Monte Carlo burnup codes, MCB5 and SERPENT were both used to simulate the fuel burnup in the ADS concepts with the mobile fuels inside the tubes. The burnup analyses were carried out for 35 full power years. The results show that 5 ADS systems can dispose of the total United States inventory of the spent nuclear fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Dislocation density-based plasticity model from massive discrete dislocation dynamics database

In this work, we present a dislocation density-based strain hardening model for single crystal copper through a systematic coarse-graining analysis of more than 200 discrete dislocation dynamics (DDD) simulations of plastic deformation under uniaxial tension. The proposed constitutive model has two components: a generalized Taylor relation connecting resolved shear stresses to dislocation densities on individual slip systems, and a generalized Kocks-Mecking model for dislocation multiplication. The DDD data strongly suggests a logarithmic dependence of flow stress on the plastic shear strain rate on each slip system, and, equivalently, an exponential dependence of the plastic shear strain rate on the resolved shear stress. Hence the proposed generalized Taylor relation subsumes the Orowan relation for plastic flow. The DDD data also calls for a correction to the Kocks-Mecking model of dislocation multiplication to account for the increase of dislocation density on slip systems with negligible plastic shear strain rate. This is accomplished by allowing the multiplication rate on each slip system to include contributions from the plastic strain rates of the two coplanar slip systems. The resulting constitutive model successfully captures the strain hardening rate dependence on the loading orientation as predicted by the DDD simulations, which is also consistent with existing experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Coordinative Voltage Control Strategy with Multiple Resources for Distribution Systems of High PV Penetration: Preprint

This paper presents an optimal voltage control methodology with coordination among different voltage-regulating resources, including controllable loads, distributed energy resources such as energy storage and photovoltaics (PV), and utility voltage-regulating devices such as voltage regulators and capacitors. The proposed methodology could effectively tackle the overvoltage and voltage regulation device distortion problems brought by high penetrations of PV to improve grid operation reliability. A voltage-load sensitivity matrix and voltage-regulator sensitivity matrix are used to deploy the resources along the feeder to achieve the control objectives. Mixed-integer nonlinear programming is used to solve the formulated optimization control problem. The methodology has been tested on the IEEE 123-feeder test system, and the results demonstrate that the proposed approach could actively tackle the voltage problem brought about by high penetrations of PV and improve the reliability of distribution system operation.

14 SOLAR ENERGY↗

DOE OSTI2018

Post-irradiation Examinations of High Burnup PWR Rods

The High Burnup Spent Fuel Data Project (herein referred to as the “project”), sponsored by the US Department of Energy (DOE) Office of Nuclear Energy (NE), is focused on experimentally evaluating the effects of long-term storage and transportation on high burnup (HBU) (defined as >45 gigawatt days per metric ton uranium) pressurized water reactor (PWR) spent nuclear fuel (SNF) [1]. To support this project, in the fall of 2017, an instrumented bolted-lid cask (project cask) at the North Anna reactor site was loaded with intact, HBU PWR fuel assemblies (project assemblies) having four different kinds of cladding and will be reopened in approximately 10-years for inspection. To support pre- and post-storage SNF rod characterization, 25 “sister rods” that are similar to the rods being stored in the project cask were extracted from seven different fuel assemblies at the North Anna nuclear power plant for post-irradiation examination (PIE).The sister rod testing program has multiple objectives, including: 1) Baseline testing to provide essential information on the physical condition and properties of the cladding and the fuel in the cladding prior to the loading, drying, and long-term dry storage process (analogous to an experiment control group). Similar tests are expected to be performed at the end of the 10-year storage period on rods extracted from the cask to identify any changes in the properties of the fuel rods that may have occurred during the dry storage period; and 2) Tests to provide material property and physical data using accelerated separate effects tests (SETs) and small-scale tests (SSTs) to explore a wide range of conditions that may occur for other dry storage systems and/or while the fuel is being transported after aging.Testing will be focused on understanding overall SNF rod strength and durability, and be comprised of both composite fuel and defueled clad testing with a focus on measuring cladding material and mechanical properties. Nondestructive testing is currently underway and plans are being updated to support the initial set of destructive tests that are expected to begin by early 2018. While the data generated can be used for multiple purposes, a primary goal of the sister rod PIE data and associated measured mechanical properties are expected to support existing fuel storage licensing and relicensing activities by addressing identified knowledge gaps, and enhance the technical bases for post-storage transportation, handling, and consolidation activities [1]. This paper presents results obtained from the sister rod testing to date, and describes some of the planned measurements, equipment, and procedures that will be implemented for the initial set of destructive examinations.

Montgomery, Rose↗

DOE OSTI2018

Post-irradiation Examinations of High Burnup PWR Rods - 18456

The High Burnup Spent Fuel Data Project (herein referred to as the 'project'), sponsored by the US Department of Energy (DOE) Office of Nuclear Energy (NE), is focused on experimentally evaluating the effects of long-term storage and transportation on high burnup (HBU) (defined as >45 gigawatt days per metric ton uranium) pressurized water reactor (PWR) spent nuclear fuel (SNF) [1]. To support this project, in the fall of 2017, an instrumented bolted-lid cask (project cask) at the North Anna reactor site was loaded with intact, HBU PWR fuel assemblies (project assemblies) having four different kinds of cladding and will be reopened in approximately 10-years for inspection. To support pre- and post-storage SNF rod characterization, 25 'sister rods' that are similar to the rods being stored in the project cask were extracted from seven different fuel assemblies at the North Anna nuclear power plant for post-irradiation examination (PIE). The sister rod testing program has multiple objectives, including: 1) Baseline testing to provide essential information on the physical condition and properties of the cladding and the fuel in the cladding prior to the loading, drying, and long-term dry storage process (analogous to an experiment control group). Similar tests are expected to be performed at the end of the 10-year storage period on rods extracted from the cask to identify any changes in the properties of the fuel rods that may have occurred during the dry storage period; and 2) Tests to provide material property and physical data using accelerated separate effects tests (SETs) and small-scale tests (SSTs) to explore a wide range of conditions that may occur for other dry storage systems and/or while the fuel is being transported after aging. Testing will be focused on understanding overall SNF rod strength and durability, and be comprised of both composite fuel and defueled clad testing with a focus on measuring cladding material and mechanical properties. Nondestructive testing is currently underway and plans are being updated to support the initial set of destructive tests that are expected to begin by early 2018. While the data generated can be used for multiple purposes, a primary goal of the sister rod PIE data and associated measured mechanical properties are expected to support existing fuel storage licensing and relicensing activities by addressing identified knowledge gaps, and enhance the technical bases for post-storage transportation, handling, and consolidation activities [1]. This paper presents results obtained from the sister rod testing to date, and describes some of the planned measurements, equipment, and procedures that will be implemented for the initial set of destructive examinations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1984

Design and development of Shuttle Get-Away-Special experiment G-0074

An experiment to investigate more versatile, lower cost surface tension propellant acquisition approaches for future satellite and spacecraft propellant tanks is designed to demonstrate a propellant off-load capability for a full-tank gallery surface tension device, such as that employed in the shuttle reaction control subsystem, and demonstrate a low-cost refillable trap concept that could be used in future orbit maneuver propulsion systems for multiple engine restarts. A Plexiglas test tank, movie camera and lights, auxiliary liquid accumulator, control electronics, battery pack, and associated valving and plumbing are used. The test liquid is Freon 113, dyed blue for color movie coverage. The fully loaded experiments weighs 106 pounds and is to be installed in a NASA five-cubic-foot flight canister. Vibration tests, acoustic tests, and high and low temperature tests were performed to quality the experiment for flight.

Orton, G. F.↗

DOE OSTI2026

Cross-slip and easy-glide CRSS in titanium: Theoretical predictions and in-situ TEM measurements

This study investigates the mechanics of prismatic and first-order pyramidal $\langle$a$\rangle$ slip in titanium (Ti), elucidating the physics of easy-glide and cross-slip through a combination of theory and experiments. Screw-character prismatic (Pr) dislocations in Ti are of particular interest because their complex cores can be stable or unstable, leading to activation by either cross-slip or planar glide. To investigate these mechanisms, site-specific micro tensile samples were prepared using focused ion beam (FIB) milling and mounted on a push-to-pull (PTP) device for in-situ transmission electron microscopy (TEM) tensile testing. The in-situ experiments provide direct observations of the onset of dislocation motion and the precise determination of the critical resolved shear stress (CRSS) for the activated mechanisms, and its evolution with load cycling. A comprehensive theory has been developed to predict the CRSS values for easy glide, cross-slip, and multiplication of dislocations. Predicted critical stresses for pyramidal (π)-to-Pr and reverse cross-slip agree closely with the experimental measurements. The latter cross-slip stress is a factor of two higher than that of unobstructed planar slip. The model accounts for overlapping dislocation cores and employs a Wigner-Seitz based cell to evaluate misfit energies. By combining ab initio density functional theory (DFT) with anisotropic elasticity, the framework identifies minimum energy pathways for dislocation glide, which can be intermittent and zig-zag. A simplified expression utilizing (π) and Pr Schmid factor ratios is proposed for critical stress corresponding to (π)-to-Pr cross-slip transition. The results are strongly dependent on crystal orientation, underscoring non-Schmid behavior. Overall, this study explores key critical stress parameters essential for informing higher-scale simulations of plasticity in Ti.

Critical stress↗

DOE OSTI2025

Influence of Pore Water on the Fracture of Silica Sand at Particle Scale

The fracture of particles has a significant influence on the engineering behavior of granular materials. There are no reported conclusive answers in the literature to explain the influence of pore water on the fracture of sand, gravel, railroad ballast rock, aggregates, rockfill, and so on. Here, in this paper, two novel techniques were adopted to investigate the influence of pore water on the fracture of natural silica sand at the particle scale. The three-dimensional (3D) synchrotron microcomputed tomography (SMT) imaging technique was used to acquire and analyze multiple 3D images of specimens composed of wetted silica sand that were subjected to confined one-dimensional (1D) compression loading up to the fracture stage. A few representative particles were identified and digitally separated from the liquid water and gas phases. The 3D SMT images offer clear experimental evidence of the phase transition of water from liquid to gas within the opening cracks. In addition, a computational fluid dynamics numerical simulation framework for water flow into an opening crack was adopted and the results show that the fast opening of the crack induced cavitation, water phase transition, and water hammer effects. The results of the numerical simulations agree with the confined 1D compression experiments where the onset of the bubbles (gas phase) within the crack is mainly generated during the secondary cavitation stage, and the generated bubble near the crack mouth opening resulted from the primary cavitation, which was directly caused by the crack expansion. The results reported in this paper present a new cavitation phenomenon that occurs during particle fracture, which offers a physics-based explanation of why water-wetted sand fractures at smaller stresses than dry and can pave the way for more in-depth future studies on the fracture of water-wetted sand.

cavitation↗

DOE OSTI2025

Characterization and Optimization of the Fitting of Quantum Correlation Functions

This case study presents a characterization and optimization of an application code for extracting parton distribution functions from high energy electron-proton scattering data. Profiling this application code reveals that the phase-space density computation accounts for 93% of the overall execution time for a single iteration on a single core. When executing multiple iterations in parallel on a multicore system, the application spends 78% of its overall execution time idling due to load imbalance. We address these issues by first transforming the application code from Python to C++ and then tackling the application load imbalance via a hybrid scheduling strategy that combines dynamic and static scheduling. These techniques result in a 62% reduction in CPU idle time and a 2.46x speedup in overall execution time per node. In addition, the typically enabled power-management mechanisms in supercomputers (e.g., AMD Turbo Core, Intel Turbo Boost, and RAPL) can significantly impact intra-node scalability when more than 50% of the CPU cores are used. This finding underscores the importance of understanding system interactions with power management, as they can adversely impact application performance, and highlights the necessity of intra-node scaling tests to identify performance degradation that inter-node scaling tests might otherwise overlook.

Chuang, Pi-Yueh [Virginia Tech,Dept. of Computer S↗

DOE OSTI2026

Dynamic Facade Dashboard v0.1.0

The dashboard is a useful tool for early-stage building design decision-making and communication, as it can help users quickly compare the energy and non-energy related performance of various automated, integrated facade systems using a library of pre-computed data. Users can explore the impacts of various design choices by selecting different facade glazing and shading systems, facade control strategies, and lighting control strategies across multiple climate zones. The dashboard instantly visualizes key metrics, including energy usage in HVAC and lighting, peak cooling and heating load, and daylight availability, allowing immediate trade-off analysis to optimize building efficiency and comfort.

Yu, Tammie [Lawrence Berkeley National Laboratory ↗

DOE OSTI2020

Valuation and cost reduction of behind-the-meter hydrogen production in Hawaii

A 250kW hydrogen electrolysis facility was recently installed at the Natural Energy Laboratory of Hawaii Authority's (NELHA's) campus. This facility that will begin operation in 2020 to produce hydrogen for fuel cell buses on the island to demonstrate of the application of hydrogen to decarbonize transportation. Given the size of the electrolysis station, it has the potential to significantly increase electricity costs for the campus, which is subject to energy and peak demand charges from the local utility. In this paper, we analyze the cost of hydrogen production at NELHA given the rate structure options available from the utility. Production costs are estimated using optimal versus constant scheduling of the facility to meet the buses’ demand. A model of the electrolysis station is used to capture changes in production efficiency over the power range in the optimization routine. The effects of combining the station and campus load versus standalone operation and increasing solar generation are also explored. The analyses surrounding this scenario show the importance of multiple factors on the potential profitability of hydrogen production in behind-the-meter applications and show trends that could have implications for other similar installations.

08 HYDROGEN↗

DOE OSTI2015

A Policymaker's Guide to Scaling Home Energy Upgrades

There has never been a better time to launch initiatives to promote residential energy efficiency savings. Over the past several decades, residential retrofit programs have demonstrated that energy efficiency measures contribute to achieving multiple benefits, including but not limited to reductions in home energy consumption, stabilization improvements for the grid by shaving peak loads, saving consumers millions on utility bills, and significantly reducing carbon emissions. Although a number of barriers to widespread uptake of home energy upgrades persist, the lessons learned as a result of the 2009 stimulus funding1 have resulted in a set of policy approaches that create new strategies for taking residential energy efficiency to scale.2 The identification of these approaches is well timed; energy efficiency is often the least expensive and most cost effective way to comply with a variety of federal, state and local policies. This Guide is designed to help state and local policymakers to take full advantage of new policy developments by providing them with a comprehensive set of tools to support launching or accelerating residential energy efficiency programs. It is written primarily for state and local policymakers, including state and local executives, legislators, public utility commissioners, and the staff who advise them.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Distributed Wind and Impacts of FERC Order No. 2222 Implementation

In September of 2020, FERC issued Order No. 2222, directing ISOs to adjust their long-standing tariffs and participation models to enable the operation of distributed energy resource (DER) aggregators in wholesale energy markets. The rule sought to bring wholesale markets under its jurisdiction up to speed with existing expansion of DERs across the United States and to capture the potential benefits that these technologies can provide. This report describes the implementation of FERC Order No. 2222 and the compliance plans that have been submitted so far, attempt to understand the potential impact the rule may have on distributed wind, and provide opportunities for future work to analyze and encourage deployment under these policy conditions. There is an information gap for the type of market interactions distributed wind may have or how it could be best deployed in DER aggregations under future market conditions. There is significant potential for profitable deployment of distributed wind in states that are served by ISOs and covered under Order No. 2222. Distributed wind and other DERs provide local energy that does not need to travel those distances and avoids the losses typically associated with long-distance energy transmission. Deployment of distributed wind can benefit communities that exist away from large load centers by providing local, clean, and affordable energy. Aggregating DERs that include distributed wind could provide these benefits across multiple far-ranging communities if they have access to participate in wholesale markets. A new baseline valuation of distributed wind in areas covered by Order No. 2222 is required to accurately gauge where it is profitable and how it can compete or complement existing or future DER deployment, including as part of an aggregate.

17 WIND ENERGY↗

NASA NTRS1983

Aileron effectiveness for a subsonic transport model with a high-aspect-ratio supercritical wing

Aileron effectiveness for a subsonc energy efficient transport (EET) model with a high aspect ratio supercritical wing was determined in the 8-foot transonic pressure tunnel. Data are presented for ailerons located at three positions along the wing span. The ailerons were designed as a preliminary active control concept with gust load alleviation, maneuver load alleviation, and flutter suppression systems. A linear variation of rolling moment coefficient with angle of attack for individual and multiple aileron deflections at Mach numbers up to 0.81 is indicated. For Mach numbers greater than 0.81, the rolling moment coefficient data become nonlinear with increasing angle of attack. At Mach numbers near the design value increased aileron effectiveness resulted from aft transition locations, which produced relatively thin boundary layers and greater effective aileron deflections. Individual aileron deflections on the right wing panel produced only small effects on yawing moment and side force coefficients.

Jacobs, P. F.↗

NASA NTRS1985

An elastic strip with multiple cracks and applications to tapered specimens

In this paper an infinite elastic strip containing arbitrarily oriented cracks and subjected to uniform tension and a pair of concentrated forces is formulated in terms of a system of singular integral equations. Even though the technique is sufficiently general to solve new multiple crack problem, with the objective of applying the results to tapered specimens, only a certain symmetric crack geometry and loading conditions are considered. The stress intensity factors are calculated for edge cracks in the strip under uniform tension and for a 'compact' and a 'slender' tapered specimen (the latter simulating the double cantilever beam) under concentrated forces or crack surface wedge forces.

Liu, X.-H.↗

NASA NTRS1987

A Navier-Stokes flow simulation of the Space Shuttle Main Engine Hot Gas Manifold

Incompressible viscous flow inside the turnaround duct, the fuel bowl, the transfer duct and the racetrack of the Space Shuttle Main Engine (SSME) Hot Gas Manifold (HGM) has been computed using the method of pseudo-compressibility together with an implicit, approximate-factorization algorithm. A multiple-zone method is used to make solution of flows in complex geometries easy. A model which predicts the pressure loading for the shield and the injector post arrangement without solving the complex flow field in the main injector region is proposed. The computed results show good qualitative agreement with experimental data.

Yang, Ruey-Jen↗

NASA NTRS1990

Army-NASA aircrew/aircraft integration program (A3I) software detailed design document, phase 3

The capabilities and design approach of the MIDAS (Man-machine Integration Design and Analysis System) computer-aided engineering (CAE) workstation under development by the Army-NASA Aircrew/Aircraft Integration Program is detailed. This workstation uses graphic, symbolic, and numeric prototyping tools and human performance models as part of an integrated design/analysis environment for crewstation human engineering. Developed incrementally, the requirements and design for Phase 3 (Dec. 1987 to Jun. 1989) are described. Software tools/models developed or significantly modified during this phase included: an interactive 3-D graphic cockpit design editor; multiple-perspective graphic views to observe simulation scenarios; symbolic methods to model the mission decomposition, equipment functions, pilot tasking and loading, as well as control the simulation; a 3-D dynamic anthropometric model; an intermachine communications package; and a training assessment component. These components were successfully used during Phase 3 to demonstrate the complex interactions and human engineering findings involved with a proposed cockpit communications design change in a simulated AH-64A Apache helicopter/mission that maps to empirical data from a similar study and AH-1 Cobra flight test.

Banda, Carolyn↗