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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Realistic Cost to Execute Practical Quantum Circuits using Direct Clifford+T Lattice Surgery Compilation

We report a resource estimation pipeline that explicitly compiles quantum circuits expressed using the Clifford+T gate set into a surface code lattice surgery instruction set. The cadence of magic state requests from the compiled circuit enables the optimization of magic state distillation and storage requirements in a post-hoc analysis. To compile logical circuits into lattice surgery operations, we build upon the open-source Lattice Surgery Compiler. The revised compiler operates in two stages: the first translates logical gates into an abstract, layout-independent instruction set; the second compiles these into local lattice surgery instructions that are allocated to hardware tiles according to a specified resource layout. The second stage retains logical parallelism while avoiding resource contention in the fault-tolerant layer, aiding realism. Additionally, users can specify dedicated tiles at which magic states are replenished, enabling resource costs from the logical computation to be considered independently from magic state distillation and storage. We demonstrate the applicability of our pipeline to large practical quantum circuits by providing resource estimates for the ground state estimation of molecules. Finally, we find that variable magic state consumption rates in real circuits can cause the resource costs of magic state storage to dominate unless production is varied to suit.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

The Exascale Framework for High Fidelity coupled Simulations (EFFIS): Enabling whole device modeling in fusion science

We present the Exascale Framework for High Fidelity coupled Simulations (EFFIS), a workflow and code coupling framework developed as part of the Whole Device Modeling Application (WDMApp) in the Exascale Computing Project. EFFIS consists of a library, command line utilities, and a collection of run-time daemons. Together, these software products enable users to easily compose and execute workflows that include: strong or weak coupling, in situ (or offline) analysis/visualization/monitoring, command-and-control actions, remote dashboard integration, and more. We describe WDMApp physics coupling cases and computer science requirements that motivate the design of the EFFIS framework. Furthermore, we explain the essential enabling technology that EFFIS leverages: ADIOS for performant data movement, PerfStubs/TAU for performance monitoring, and an advanced COUPLER for transforming coupling data from its native format to the representation needed by another application. Finally, we demonstrate EFFIS using coupled multi-simulation WDMApp workflows and exemplify how the framework supports the project’s needs. We show that EFFIS and its associated services for data movement, visualization, and performance collection does not introduce appreciable overhead to the WDMApp workflow and that the resource-dominant application’s idle time while waiting for data is minimal.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1997

The Automated Instrumentation and Monitoring System (AIMS): Design and Architecture

Whether a researcher is designing the 'next parallel programming paradigm', another 'scalable multiprocessor' or investigating resource allocation algorithms for multiprocessors, a facility that enables parallel program execution to be captured and displayed is invaluable. Careful analysis of such information can help computer and software architects to capture, and therefore, exploit behavioral variations among/within various parallel programs to take advantage of specific hardware characteristics. A software tool-set that facilitates performance evaluation of parallel applications on multiprocessors has been put together at NASA Ames Research Center under the sponsorship of NASA's High Performance Computing and Communications Program over the past five years. The Automated Instrumentation and Monitoring Systematic has three major software components: a source code instrumentor which automatically inserts active event recorders into program source code before compilation; a run-time performance monitoring library which collects performance data; and a visualization tool-set which reconstructs program execution based on the data collected. Besides being used as a prototype for developing new techniques for instrumenting, monitoring and presenting parallel program execution, AIMS is also being incorporated into the run-time environments of various hardware testbeds to evaluate their impact on user productivity. Currently, the execution of FORTRAN and C programs on the Intel Paragon and PALM workstations can be automatically instrumented and monitored. Performance data thus collected can be displayed graphically on various workstations. The process of performance tuning with AIMS will be illustrated using various NAB Parallel Benchmarks. This report includes a description of the internal architecture of AIMS and a listing of the source code.

Yan, Jerry C.↗

DOE OSTI2026

Preliminary neutronic and thermal analysis of Inertial Fusion Energy systems with a focus on thick liquid wall concepts

This paper provides an assessment of the neutronic behavior of Inertial Fusion Energy systems using the Serpent 2 Monte Carlo code. The study explores different types of reactor concepts, including dry-wall and thick liquid wall systems. In particular, it characterizes the tritium breeding and energy multiplication performance, as well as the effect of long-term irradiation on structural materials. For this purpose, the displacement per atom (DPA) and the gas production rate in structural materials are calculated. A simplified geometry with varying geometrical parameters is used as a representation for the different kinds of devices. Additionally, the case of the HYLIFE-II concept is used to assess modeling inaccuracies arising from certain approximations. A comparison between the simplified geometry and a realistic one is performed, thanks to Serpent’s capability to run transport calculations on unstructured meshes. The study then addresses the impact of these discrepancies on the temperature distribution in the first wall using the GeN-Foam code for conjugate heat transfer analysis. The results highlight the necessity to consider the heterogeneous nature of the liquid wall, as simplified models tend to underestimate radiation damage metrics and heat loads.

Conjugate heat transfer↗

NASA NTRS2008

Standardizing Interfaces for External Access to Data and Processing for the NASA Ozone Product Evaluation and Test Element (PEATE)

NASA's traditional science data processing systems have focused on specific missions, and providing data access, processing and services to the funded science teams of those specific missions. Recently NASA has been modifying this stance, changing the focus from Missions to Measurements. Where a specific Mission has a discrete beginning and end, the Measurement considers long term data continuity across multiple missions. Total Column Ozone, a critical measurement of atmospheric composition, has been monitored for'decades on a series of Total Ozone Mapping Spectrometer (TOMS) instruments. Some important European missions also monitor ozone, including the Global Ozone Monitoring Experiment (GOME) and SCIAMACHY. With the U.S.IEuropean cooperative launch of the Dutch Ozone Monitoring Instrument (OMI) on NASA Aura satellite, and the GOME-2 instrumental on MetOp, the ozone monitoring record has been further extended. In conjunction with the U.S. Department of Defense (DoD) and the National Oceanic and Atmospheric Administration (NOAA), NASA is now preparing to evaluate data and algorithms for the next generation Ozone Mapping and Profiler Suite (OMPS) which will launch on the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) in 2010. NASA is constructing the Science Data Segment (SDS) which is comprised of several elements to evaluate the various NPP data products and algorithms. The NPP SDS Ozone Product Evaluation and Test Element (PEATE) will build on the heritage of the TOMS and OM1 mission based processing systems. The overall measurement based system that will encompass these efforts is the Atmospheric Composition Processing System (ACPS). We have extended the system to include access to publically available data sets from other instruments where feasible, including non-NASA missions as appropriate. The heritage system was largely monolithic providing a very controlled processing flow from data.ingest of satellite data to the ultimate archive of specific operational data products. The ACPS allows more open access with standard protocols including HTTP, SOAPIXML, RSS and various REST incarnations. External entities can be granted access to various modules within the system, including an extended data archive, metadata searching, production planning and processing. Data access is provided with very fine grained access control. It is possible to easily designate certain datasets as being available to the public, or restricted to groups of researchers, or limited strictly to the originator. This can be used, for example, to release one's best validated data to the public, but restrict the "new version" of data processed with a new, unproven algorithm until it is ready. Similarly, the system can provide access to algorithms, both as modifiable source code (where possible) and fully integrated executable Algorithm Plugin Packages (APPs). This enables researchers to download publically released versions of the processing algorithms and easily reproduce the processing remotely, while interacting with the ACPS. The algorithms can be modified allowing better experimentation and rapid improvement. The modified algorithms can be easily integrated back into the production system for large scale bulk processing to evaluate improvements. The system includes complete provenance tracking of algorithms, data and the entire processing environment. The origin of any data or algorithms is recorded and the entire history of the processing chains are stored such that a researcher can understand the entire data flow. Provenance is captured in a form suitable for the system to guarantee scientific reproducability of any data product it distributes even in cases where the physical data products themselves have been deleted due to space constraints. We are currently working on Semantic Web ontologies for representing the various provenance information. A new web site focusing on consolidating informaon about the measurement, processing system, and data access has been established to encourage interaction with the overall scientific community. We will describe the system, its data processing capabilities, and the methods the community can use to interact with the standard interfaces of the system.

Tilmes, Curt A.↗

NASA NTRS2022

Development of an Effective Finite-rate Oxidation Model for NuSil-coated Charred Carbon Preform Ablators

Recently, a detailed effective finite-rate surface chemistry model was developed for the oxidation of FiberForm [1] using the molecular beam experimental data of Poovathingal et al., [2]. FiberForm is the major building block of the thermal protection system (TPS) material Phenolic Impregnated Carbon Ablator (PICA), commonly used by NASA. The surface chemistry model consists of detailed surface reaction mechanisms such as adsorption, desorption, and several types of Langmuir-Hinshelwood (LH) reactions to characterize the oxygen-carbon interactions at the surface. This model provides excellent agreement with the experimental data for oxidation product compositions and corresponding translational energy distributions. Further, an effective oxidation model was constructed that captures the equivalent interaction of oxygen inside the microstructure (including multiple surface collisions) via a modified reactivity for a smooth wall boundary condition. This enables the use of this model directly into Computational Fluid Dynamics (CFD) codes and Material Response (MR) codes to accurately simulate the gas–surface interactions within FiberForm without using the detailed micro-structure. However, this effective model is valid only for the virgin FiberForm. As the TPS material undergoes ablation, the preform carbon burns and turns into char. In addition, PICA is also coated with a protective silicon coating called NuSil for the purpose of mitigating the spread of phenolic dust, and limit contamination during clean room operations. Fig. 1 shows a X-ray microtomography image of a charred NuSil-coated PICA. The NuSil layer introduces species containing silicon into the product mixture. Further, the reactivity of the carbon within the char layer is different from the virgin FiberForm as shown in Fig. 2. Recently a new set of molecular beam experiments were performed on this NuSil-coated TPS material [3] with the same type of oxygen beam used in the previous experiments. Using the latest experimental data, the previously developed effective model will be extended to account for the charred carbon as well as the NuSil coating. Finally, this new effective model with three phases – preform carbon, char, and NuSil; will be compared and validated against the experimental product compositions.

K Swaminathan Gopalan↗

DOE OSTI2021

Federal Oversight of Hydrogen Systems

The application of hydrogen as an energy carrier has been expanding into industrial and transportation sectors enabling sustainable energy resources and providing a zero-emission energy infrastructure. The hydrogen supply infrastructure includes processes from production and storage, to transportation and distribution, to end use. Each portion of the hydrogen supply infrastructure is regulated by international, federal, state, and local entities. Regulations are enforced by entities which provide guidance and updates as necessary. While energy sources such as natural gas are currently regulated via the Code of Federal Regulations and United States Code, there might be some ambiguity as to which regulations are applicable to hydrogen and where regulatory gaps may exist. This report contains an overview of the regulations that apply to hydrogen, and those that may indirectly cover hydrogen as an energy carrier participating in a sustainable zero emission global energy system. As part of this effort, the infrastructure of hydrogen systems and regulation enforcement entities are defined, and a visual map and reference table are developed. This regulatory map and table can be used to identify the boundaries of federal oversight for each component of the hydrogen supply value chain which includes production, storage, distribution, and use.

08 HYDROGEN↗

DOE OSTI2024

Model code and data: biomass allocation adjustments induced by elevated CO2 and warming in a C3 brackish marsh, 2017-2022, Maryland

This dataset and R script accompany the published paper Bruns et al. (2024) in Geophysical Research Letters. The data are from the first six years of a field manipulation of whole-ecosystem warming and elevated CO2 experiment (Salt Marsh Accretion Response to Temperature eXperiment, or SMARTX) in the Smithsonian's Global Change Research Wetland (GCReW), a brackish, microtidal wetland site on a subestuary of the Chesapeake Bay. These data were generated to understand how warming and elevated CO2 interact to structure ecosystem-level responses to global change, particularly in terms of carbon sequestration. The dataset covers 2017-2022 and includes peak annual above ground biomass, annual belowground fine root productivity, and porewater NH4 for each experimental plot. The overall experiment is replicated in two locations on the marsh, a lower elevation zone dominated the C3 sedge S. Americanus and a higher elevation plot dominated by the C4 species. This paper and its data release is only for the C3 plot. Variable descriptions for data file is available in variable_descriptions.pdf. The R script Bruns_et_al_2024_GRL_make_figures.Rmd contains model code and other scripts used to generate all paper figures.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Middlesex South FUSRAP Site: Collaboration Towards Beneficial Reuse - 20338

The US Department of Energy (DOE) Office of Legacy Management (LM) manages DoE's post-closure responsibilities and ensures the future protection of human health and the environment with respect to sites that have no continuing DOE mission after undergoing remediation. LM's beneficial reuse program promotes the LM strategic goal to sustainably manage and optimize use of public lands. The beneficial reuse program aims to repurpose former contaminated sites to restore the environment, protect the public health, revitalize communities, and spur economic growth. Benefits from the reuse of a site may increase the local tax base, facilitate job growth, utilize existing infrastructure, and enhance or protect natural resources. Beneficial reuse also promotes protectiveness by ensuring activities are compatible with long-term maintenance and protection of public health and the environment, as well as by retaining good stewardship of natural resources. LM actively participates in promoting the economic development vision of the surrounding communities by collaborating with local communities to promote regional or municipal initiatives. The Borough of Middlesex, New Jersey, has prepared the Lincoln Boulevard Redevelopment Plan, which will reinvent a once-viable downtown and enhance the quality of life for the community. The Middlesex South, New Jersey, Formerly Utilized Sites Remedial Action Program (FUSRAP) site lies within the boundaries of this redevelopment area. In support of this development plan, the Borough is interested in acquiring the site for its Department of Public Works and to increase street access in the future commercial district to be built near adjacent properties. The opportunity to put the FUSRAP site into productive use aligns with LM's mission and strategic goals. In support of beneficial reuse activities, DOE can dispose of excess real property using several mechanisms. The two disposal options applicable to the Middlesex south site include (1) utilizing the US General Services Administration (GSA) or (2) using the Title 10 Code of Federal Regulations Section 770, 'Transfer of Real Property at Defense Nuclear Facilities for Economic Development' (known as a '770 transfer') process. Using the 770 transfer requires economic development as the primary driver, and a specific redevelopment proposal must be submitted. If there is no interest in specific economic development, the GSA option becomes the default mechanism for disposal of the property. In the case of the Middlesex south site, the 770 transfer process is being utilized and the Borough has submitted its economic development proposal to LM. Although LM is encouraged by the opportunity to put the site into productive use, the Middlesex south site is currently on the US Environmental Protection Agency (EPA) National Priorities List and remediation is being performed by the US Army Corp of Engineers (USACE) under the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA). Consequently, any property transfer must meet the requirements under CERCLA Section 120(h), 'Property Transferred by Federal Agencies.' As the groundwater remedy will not be in place for several years, approval would be required from the US EPA administrator and the governor of the state of New Jersey to perform an early transfer of the site (before all response actions have been completed). The time frame for these approvals to occur under the normal process conflicts with the proposed redevelopment schedule; therefore, various options for expedited sale, transfer, or lease of portions of the site to the Borough were evaluated. The subsequent decision on a mutually beneficial path forward was the result of a collaborative effort between LM, USACE, the Borough and its redevelopment team, EPA, and the New Jersey Department of Environmental Protection. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

The Princeton Field-Reversed Configuration for Compact Nuclear Fusion Power Plants

The Princeton Field-Reversed Configuration (PFRC) nuclear fusion reactor concept is an innovative approach to fusion power generation prioritizing low neutron production and small size. Here, a combination of analytical modeling and numerical simulation shows that the novel heating approach generates an FRC with closed field lines. Simulation data from a single-particle Hamiltonian code predicts ms-scale plasma heating in reactor-scale conditions while PIC codes predict formation of warm FRC plasmas from initial mirror fields. The PFRC-1 and PFRC-2 experiments have heated electrons to energies well in excess of 100 eV and plasma durations to 300 ms, more than 10 4 times longer than the predicted tilt instability growth time. From these data, we have created a development plan and anticipated performance metrics for a fusion reactor based on the PFRC concept. The resulting 1–10 MW PFRC reactors would be suitable for diverse applications, from submarines to urban environments to space propulsion. PFRC is a steady-state, driven magnetic confinement device. Plasma, inside a cylindrical array of coils, is confined and heated by external RF antennae. PFRC would be ultra-low radiation due to both its fuel and small size. The choice of advanced fuels, deuterium and helium-3 (D– 3 He), may be enabled by the high-β FRC configuration. The small size of the reactor would enable rapid exhaust of the dangerous tritium ash. Low radiation would make the reactor safer to operate and, in combination with simple geometry and small size, dramatically lowers development and maintenance costs. This review paper gives an introduction to the physics of the PFRC and a summary of the PFRC-2 experiment results to date. It then discusses the future program plan and how PFRC reactors would be commercialized.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Extension of the energetic particle transport kick model in TRANSP to multiple fast ion species

Abstract Alfvénic instabilities (AEs) are well known to cause enhanced transport of energetic particles (EPs) in fusion devices. Most studies until now have focused on characterizing and understanding AE stability in single-species plasmas heated by neutral beams (NB), where deuterium is typically used as both main plasma species and NB fuel. As the fusion community moves toward fusion reactors that target burning plasma conditions, such as ITER, the single-species picture breaks down. Burning plasmas, which will use a mix of deuterium and tritium (DT) as main fuel, also feature the presence of several supra-thermal fusion products such as alpha particles, protons, helium isotopes and high-energy tritium ions. This work presents the extension of the EP transport kick model implemented in the TRANSP time-dependent tokamak transport code to study the combined effect of multiple EP species on AE stability and, in turn, the response of different EP species to plasma instabilities in terms of their redistribution and losses. Further validation of the enhanced model is planned based on experimental results expected from the JET DT campaign scheduled for 2021, in preparation for ITER plasmas and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

LDES-Sizing-and-siting-model (Power grid test cases for long-duration energy storage (LDES) siting) [SWR-25-75]

This repository contains code and data for performing a siting analysis of long-duration energy storage (LDES) in the 5-bus and RTS systems using the Sienna suite developed by the National Renewable Energy Laboratory for production cost modeling (PCM). This analysis involves moving the LDES component to different buses in the system, running a simulation, and considering the production cost of the simulation. Different system configurations are also analyzed with these scripts (such as moving load or renewable dispatch generators to different buses) to observe the impacts the system configuration has on optimal siting. This repository contains three sub directories discussed below. Both the 5-bus and RTS systems have two different initial configurations for the renewable energy components in them, one that is predominantly PV-driven and one that is predominantly wind-driven. Sienna suite can be found here: https://github.com/NREL-Sienna

Cole, David [University of Wisconsin]↗

DOE OSTI2024

Gamma Source Verification for GAMSRC and GAMSOR

Nuclear reactors that rely upon the fission reaction have two modes of thermal energy deposition in the reactor system: neutron absorption and gamma absorption. The gamma rays are typically generated by neutron capture reactions or during the fission process which means the primary driver of energy production is of course the neutron interactions. The GAMSOR program was first built in the mid 1980s to properly account for the gamma heating in an operating reactor core on core internals. The GAMSOR code is sequence of DIF3D calculations to compute the neutron and gamma flux and combine them to define both the neutron and gamma heating throughout the modeled domain. The goal of this manuscript is to present the software verification of GAMSOR. The first step of the GAMSOR sequence of calculations involves of a modified version of DIF3D (called DIF3D-GAMSOR) which generates a gamma source distribution for the follow-on DIF3D gamma transport calculation (step 2). This modified version of DIF3D increases the burden of maintenance and verification work on GAMSOR as one must reverify the DIF3D capabilities which is undesirable. Because the calculation of the gamma source is the only unique aspect of GAMSOR beyond the regular DIF3D capabilities, that part was put in a standalone code called GAMSRC such that one can use the verified DIF3D code in step 1 followed by GAMSRC to carry out the same GAMSOR calculation step. As a consequence, this manuscript is focused on verification of the gamma source files generated by GAMSRC. The verification of the modified version of DIF3D (DIF3D-GAMSOR) will be done less rigorously in that it will be verified that it produces the same output that GAMSRC does and thus GAMSRC is equivalent to GAMSOR on the problems studied here. Hand calculations and independent numerical calculations of the gamma source generation are used for the verification work. This work follows the same methodology of GAMSRC. As expected, the results agree well with those calculated by GAMSRC as will be shown.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Gamma Source Verification for GAMSRC and GAMSOR

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Reactive-transport modeling of fracture flow to quantify the changes in flow pathways from matrix thermal contraction and mineral precipitation and dissolution; influence of grid resolution

A series of reactive-transport models of Enhanced Geothermal Systems (EGS) were constructed using the reactive transport code PFLOTRAN to examine the effect of matrix thermal contraction and mineral dissolution/precipitation on fracture flow in the context of grid cell size and model complexity. It was found that for thermal drawdown at production well, the impact of fracture zone grid cell size is negligible.

Gatz-Miller, Hannah Sarah↗

NASA NTRS1982

A gallery of HCMM images

A gallery of what might be called the ""Best of HCMM'' imagery is presented. These 100 images, consisting mainly of Day-VIS, Day-IR, and Night-IR scenes plus a few thermal inertia images, were selected from the collection accrued in the Missions Utilization Office (Code 902) at the Goddard Space Flight Center. They were selected because of both their pictorial quality and their information or interest content. Nearly all the images are the computer processed and contrast stretched products routinely produced by the image processing facility at GSFC. Several LANDSAT images, special HCMM images made by HCMM investigators, and maps round out the input.

Source record↗

NASA NTRS1989

PIC code modeling of spacecraft charging potential during electron beam injection into a background of neutral gas and plasma, part 1

Injections of nonrelativistic electron beams from an isolated equipotential conductor into a uniform background of plasma and neutral gas were simulated using a 2-D electrostatic particle code. The ionization effects on spacecraft charging are examined by including interactions of electrons with neutral gas. The simulations show that the conductor charging potential decreases with increasing neutral background density due to the production of secondary electrons near the conductor surface. In the spacecraft wake, the background electrons accelerated towards the charged spacecraft produce an enhancement of secondary electrons and ions. Simulations run for longer times indicate that the spacecraft potential is further reduced and short wavelength beam-plasma oscillations appear. The results are applied to explain the spacecraft charging potential measured during the SEPAC experiments from Spacelab 1.

Koga, J. K.↗

NASA NTRS1992

Future regional transport aircraft market, constraints, and technology stimuli

This report provides updated information on the current market and operating environment and identifies interlinking technical possibilities for competitive future commuter-type transport aircraft. The conclusions on the market and operating environment indicate that the regional airlines are moving toward more modern and effective fleets with greater passenger capacity and comfort, reduced noise levels, increased speed, and longer range. This direction leads to a nearly 'seamless' service and continued code-sharing agreements with the major carriers. Whereas the benefits from individual technologies may be small, the overall integration in existing and new aircraft designs can produce improvements in direct operating cost and competitiveness. Production costs are identified as being equally important as pure technical advances.

Harvey, W. Don↗