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Orbital Express Advanced Video Guidance Sensor

In May 2007 the first US fully autonomous rendezvous and capture was successfully performed by DARPA's Orbital Express (OE) mission. Since then, the Boeing ASTRO spacecraft and the Ball Aerospace NEXTSat have performed multiple rendezvous and docking maneuvers to demonstrate the technologies needed for satellite servicing. MSFC's Advanced Video Guidance Sensor (AVGS) is a primary near-field proximity operations sensor integrated into ASTRO's Autonomous Rendezvous and Capture Sensor System (ARCSS), which provides relative state knowledge to the ASTRO GN&C system. This paper provides an overview of the AVGS sensor flying on Orbital Express, and a summary of the ground testing and on-orbit performance of the AVGS for OE. The AVGS is a laser-based system that is capable of providing range and bearing at midrange distances and full six degree-of-freedom (6DOF) knowledge at near fields. The sensor fires lasers at two different frequencies to illuminate the Long Range Targets (LRTs) and the Short Range Targets (SRTs) on NEXTSat. Subtraction of one image from the other image removes extraneous light sources and reflections from anything other than the corner cubes on the LRTs and SRTs. This feature has played a significant role for Orbital Express in poor lighting conditions. The very bright spots that remain in the subtracted image are processed by the target recognition algorithms and the inverse-perspective algorithms, to provide 3DOF or 6DOF relative state information. Although Orbital Express has configured the ASTRO ARCSS system to only use AVGS at ranges of 120 m or less, some OE scenarios have provided opportunities for AVGS to acquire and track NEXTSat at greater distances. Orbital Express scenarios to date that have utilized AVGS include a berthing operation performed by the ASTRO robotic arm, sensor checkout maneuvers performed by the ASTRO robotic arm, 10-m unmated operations, 30-m unmated operations, and Scenario 3-1 anomaly recovery. The AVGS performed very well during the pre-unmated operations, effectively tracking beyond its 10-degree Pitch and Yaw limit-specifications, and did not require I-LOAD adjustments before unmated operations. AVGS provided excellent performance in the 10-m unmated operations, effectively tracking and maintaining lock for the duration of this scenario, and showing good agreement between the short and long range targets. During the 30-m unmated operations, the AVGS continuously tracked the SRT to 31.6 m, exceeding expectations, and continuously tracked the LRT from 8.8 m out to 31.6 m, with good agreement between these two target solutions. After this scenario was aborted at a 10-m separation during remate operations, the AVGS tracked the LRT out 54.3 m, until the relative attitude between the vehicles was too large. The vehicles remained apart for eight days, at ranges from 1 km to 6 km. During the approach to remate in this recovery operation, the AVGS began tracking the LRT at 150 m, well beyond the OE planned limits for AVGS ranges, and functioned as the primary sensor for the autonomous rendezvous and docking.

Howard, Ricky↗

Congestion levels on existing infrastructure

Congestion occurs when available least-cost energy cannot be delivered to some loads because transmission facilities do not have sufficient capacity to deliver the energy. When a transmission constraint is binding (i.e., its limit is reached) it has an associated shadow price – the marginal value of relieving the constraint (i.e., of increasing the asset’s flow limit). This report contains one page dedicated to each ISO and RTO in the U.S. documenting empirical outcomes related to binding constraints during 2022 through 2024 for both the day-ahead and real-time markets. For each system operator and market timeline, the report contains two maps of infrastructure elements that are color-coded based on congestion characteristics. The first map provides information on how often each element has a binding constraint, that is, the frequency of congestion on the element. The second map reflects the intensity of congestion, measured as the sum of shadow prices.

24 POWER TRANSMISSION AND DISTRIBUTION↗

IM3 Data Center Driven Grid Stress Dataset for the U.S. Western Interconnection

This dataset provides projected grid stress and reliability results (including all model inputs and outputs from an open-source grid operations modeling framework - GO), for the Integrated Multisector, Multiscale Modeling (IM3) project, under varying levels of data center demand growth between 2025 and 2035 in the U.S. Western Interconnection. The scenarios and sensitivity experiments are combinations of different data center demand growth rates and energy, weather, population and economic pathways. Data center demand growth projections were sourced from the Electric Power Research Institute (EPRI). The data center demand growth projection names are: Low (3.71% annual data center demand growth) Moderate (5% annual data center demand growth) High (10% annual data center demand growth) Higher (15% annual data center demand growth) Energy, weather, population and economic pathways are informed by two Shared Socioeconomic Pathways (SSP3 and SSP5) and two Representative Concentration Pathways (RCP4.5 and RCP8.5) following the hotter general circulation model (GCM) forcing group from a set of perturbed thermodynamics simulations. The resulting pathway names are: rcp45hotter_ssp3 rcp45hotter_ssp5 rcp85hotter_ssp3 rcp85hotter_ssp5 The main scenarios and sensitivity experiments are detailed below. Reference scenario: The projected grid stress and reliability results for the U.S. Western Interconnection from a previous study. This scenario does not consider data center demand growth explicitly. Data center scenario: Building on the reference scenario, this scenario considers various data center growth rates and how they impact the U.S. Western Interconnection. Data center loads are modeled as flat 8760-hr profiles. This scenario does not consider new generation and transmission capacities specifically designed to meet the new data center demands. The related folder is named "flat". Delayed generator retirements sensitivity experiment: Building on the data center scenario, this experiment explores the impact of different levels of natural gas and nuclear generator retirement delays. The resulting scenario names are: (1) postponing 100% nuclear retirements; (2) postponing 100% nuclear and 25% natural gas retirements; (3) postponing only 50% natural gas retirements; (4) postponing 100% nuclear and 50% natural gas retirements; (5) postponing 100% nuclear and 75% natural gas retirements; and (6) postponing 100% nuclear and 100% natural gas retirements. The related folder names are: no_gen_retire_0_gas, no_gen_retire_25_gas, no_gen_retire_50_gas, no_gen_retire_50_gas_only, no_gen_retire_75_gas, and no_gen_retire_100_gas. Demand response through curtailment sensitivity experiment: Building on the data center scenario, this experiment explores the impact of different participation and compensation levels of data center demand response. The resulting scenario names are: (1) 5% demand available for curtailment with 750 $/MWh compensation; (2) 5% demand available for curtailment with 500 $/MWh compensation; (3) 5% demand available for curtailment with 250 $/MWh compensation; (4) 15% demand available for curtailment with 750 $/MWh compensation; (5) 15% demand available for curtailment with 500 $/MWh compensation; and (6) 15% demand available for curtailment with 250 $/MWh compensation. The related folder names are: dr_cost_250_drup_0_drdown_5, dr_cost_250_drup_0_drdown_15, dr_cost_500_drup_0_drdown_5, dr_cost_500_drup_0_drdown_15, dr_cost_750_drup_0_drdown_5, and dr_cost_750_drup_0_drdown_15. Combination of delayed generator retirements and demand response through curtailment sensitivity experiment: The impact of combining postponing 100% nuclear and 25% natural gas retirements with 5% demand available for curtailment with 750 $/MWh compensation is simulated. The related folder is named "dr_cost_750_drup_0_drdown_5_nuc_100_gas_25". Please refer to the README file for a detailed description of the dataset including individual files and references.

Artificial Intelligence↗

Nonvolatile random access memory

A nonvolatile magnetic random access memory can be achieved by an array of magnet-Hall effect (M-H) elements. The storage function is realized with a rectangular thin-film ferromagnetic material having an in-plane, uniaxial anisotropy and inplane bipolar remanent magnetization states. The thin-film magnetic element is magnetized by a local applied field, whose direction is used to form either a 0 or 1 state. The element remains in the 0 or 1 state until a switching field is applied to change its state. The stored information is detcted by a Hall-effect sensor which senses the fringing field from the magnetic storage element. The circuit design for addressing each cell includes transistor switches for providing a current of selected polarity to store a binary digit through a separate conductor overlying the magnetic element of the cell. To read out a stored binary digit, transistor switches are employed to provide a current through a row of Hall-effect sensors connected in series and enabling a differential voltage amplifier connected to all Hall-effect sensors of a column in series. To avoid read-out voltage errors due to shunt currents through resistive loads of the Hall-effect sensors of other cells in the same column, at least one transistor switch is provided between every pair of adjacent cells in every row which are not turned on except in the row of the selected cell.

Wu, Jiin-Chuan↗

Wind Tunnel Measurements of the Wake of a Full-Scale UH-60A Rotor in Forward Flight

A full-scale UH-60A rotor was tested in the National Full-Scale Aerodynamics Complex (NFAC) 40- by 80-Foot Wind Tunnel in May 2010. The test was designed to acquire a suite of measurements to validate state-of-the-art modeling tools. Measurements include blade airloads (from a single pressure-instrumented blade), blade structural loads (strain gages), rotor performance (rotor balance and torque measurements), blade deformation (stereo-photogrammetry), and rotor wake measurements (Particle Image Velocimetry (PIV) and Retro-reflective Backward Oriented Schlieren (RBOS)). During the test, PIV measurements of flow field velocities were acquired in a stationary cross-flow plane located on the advancing side of the rotor disk at approximately 90 deg rotor azimuth. At each test condition, blade position relative to the measurement plane was varied. The region of interest (ROI) was 4-ft high by 14-ft wide and covered the outer half of the blade radius. Although PIV measurements were acquired in only one plane, much information can be gleaned by studying the rotor wake trajectory in this plane, especially when such measurements are augmented by blade airloads and RBOS data. This paper will provide a comparison between PIV and RBOS measurements of tip vortex position and vortex filament orientation for multiple rotor test conditions. Blade displacement measurements over the complete rotor disk will also be presented documenting blade-to-blade differences in tip-path-plane and providing additional information for correlation with PIV and RBOS measurements of tip vortex location. In addition, PIV measurements of tip vortex core diameter and strength will be presented. Vortex strength will be compared with measurements of maximum bound circulation on the rotor blade determined from pressure distributions obtained from 235 pressure sensors distributed over 9 radial stations.

Wadcock, Alan J.↗

Phase transformation path in Aluminum under ramp compression; simulation and experimental study

Abstract We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in-situ x-ray diffraction data. The NEMD simulations show the solid–solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path.

36 MATERIALS SCIENCE↗

Direct probing of strong magnon–photon coupling in a planar geometry

We demonstrate direct probing of strong magnon–photon coupling using Brillouin light scattering (BLS) spectroscopy in a planar geometry. The magnonic hybrid system comprises a split-ring resonator loaded with epitaxial yttrium iron garnet thin films of 200 nm and 2.46 μm thickness. Here, the BLS measurements are combined with microwave spectroscopy measurements where both biasing magnetic field and microwave excitation frequency are varied. The cooperativity for the 200 nm-thick YIG films is 1.1, and larger cooperativity of 29.1 is found for the 2.46 μm-thick YIG film. We show that BLS is advantageous for probing the magnonic character of magnon–photon polaritons, while microwave absorption is more sensitive to the photonic character of the hybrid excitation. A miniaturized, planar device design is imperative for the potential integration of magnonic hybrid systems in future coherent information technologies, and our results are a first stepping stone in this regard. Furthermore, successfully detecting the magnonic hybrid excitation by BLS is an essential step for the up-conversion of quantum signals from the microwave to the optical regime in hybrid quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Status Report on Development of a Cask to Enable Pulsed Neutron Characterization of Irradiated Fuel

We present the design of a shielding cask that allows pulsed neutron characterization of irradiated fuel rodlets prior to their destructive examination in hot cells. The goal is to provide complementary and informative measurements that will inform subsequent hot cell PIE examinations by identifying typical and atypical regions with respect to microstructure, tomographic data, or isotope densities. Time-of-flight neutron diffraction has the potential to offer efficient, non-destructive and non-contact microstructural characterization of irradiated fuel pins with spatial resolution of 1 mm3 to 1 cm3 while for energy-resolved neutron imaging (and by extension tomography) a resolution of 100 μm was demonstrated. The potential results include crystallinity vs. amorphous volumes and microstructural information such as phase compositions and textures from the diffraction data as well as distances (e.g. pellet to cladding), cracks, and isotopic distributions of minor actinides, fission products as well as fission gas partial pressures e.g. in the plenum from energy resolved neutron imaging. The capability will identify regions of atypical behavior and provide cost effective bulk characterization of entire samples prior to destructive evaluation in hot cells. This effort is a collaboration between LANL, INL, ORNL, and UC Berkeley. A key facet of the initiative is the ability to cost effectively ship irradiated fuels from INL to the pulsed spallation neutron source at LANSCE. The irradiated fuel would be loaded in the custom designed cask (designated RaMHaM) at INL hot cells which then could be shipped in a BRR Type B shipment container between INL and LANL. No hot cell is required after the loading of the sample at INL in the pathway laid out in this report, greatly simplifying handling at LANL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electrifying Transit: A Guidebook for Implementing Battery Electric Buses

This guidebook is organized to give transit decision-makers and relevant stakeholders an overview of BEB facts, data, and considerations important for planning their implementation in a variety of jurisdictions. First, the benefits and barriers for BEB are identified. Second, BEB basics in terms of the major components, including a) the bus, b) the battery, and c) the numerous charging options. BEB introduces new, high demand loads as the buses are charging and thus have a number of interactions with the electricity grid and the utility, which are explored third. Operation and maintenance of BEBs are considered fourth as BEBs should not be operated and maintained in the same approach as diesel buses. Fifth, the costs of BEB prices are summarized – and the choices of bus and battery are explored in how they impact BEB prices. Funding and financing options that support BEBs and their charging stations are also explored. Safety is a key consideration for BEBs and the guidebook touches upon codes and standards, hazards, and emergencies. The final section examines project execution, bringing together information from all the other sections so that long-term planning, route analysis, and fleet and infrastructure planning can be considered in the preparation of BEB deployment, and then deployment can be evaluated on a regular basis. A final conclusion revisits the information covered in the guidebook.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Teams and teamwork at NASA Langley Research Center

The recent reorganization and shift to managing total quality at the NASA Langley Research Center (LaRC) has placed an increasing emphasis on teams and teamwork in accomplishing day-to-day work activities and long-term projects. The purpose of this research was to review the nature of teams and teamwork at LaRC. Models of team performance and teamwork guided the gathering of information. Current and former team members served as participants; their collective experience reflected membership in over 200 teams at LaRC. The participants responded to a survey of open-ended questions which assessed various aspects of teams and teamwork. The participants also met in a workshop to clarify and elaborate on their responses. The work accomplished by the teams ranged from high-level managerial decision making (e.g., developing plans for LaRC reorganization) to creating scientific proposals (e.g., describing spaceflight projects to be designed, sold, and built). Teams typically had nine members who remained together for six months. Member turnover was around 20 percent; this turnover was attributed to heavy loads of other work assignments and little formal recognition and reward for team membership. Team members usually shared a common and valued goal, but there was not a clear standard (except delivery of a document) for knowing when the goal was achieved. However, members viewed their teams as successful. A major factor in team success was the setting of explicit a priori rules for communication. Task interdependencies between members were not complex (e.g., sharing of meeting notes and ideas about issues), except between members of scientific teams (i.e., reliance on the expertise of others). Thus, coordination of activities usually involved scheduling and attendance of team meetings. The team leader was designated by the team's sponsor. This leader usually shared power and responsibilities with other members, such that team members established their own operating procedures for decision making. Sponsors followed a hands-off policy during team operations, but they approved and reviewed team products. Most teams, particularly high-level decision-making teams, had little or no authority to carry out their decisions. Team members had few interpersonal conflicts. They monitored each other respectfully about meeting deadlines. Feedback and backup behaviors were seen as desirable aspects of teamwork, wanted by the members, and done appropriately.

Dickinson, Terry L.↗

Determination of Radiative Forcing of Saharan Dust using Combined TOMS and ERBE Data

The direct radiative forcing of Saharan dust aerosols has been determined by combining aerosol information derived from Nimbus-7 TOMS with radiation measurements observed at the top of atmosphere (TOA) by NOAA-9 ERBE made during February-July 1985. Cloud parameters and precipitable water derived from the NOAA-9 HIRS2 instrument were used to aid in screening for clouds and water vapor in the analyses. Our results indicate that under "cloud-free" and "dry" conditions there is a good correlation between the ERBE TOA outgoing longwave fluxes and the TOMS aerosol index measurements over both land and ocean in areas under the influence of airborne Saharan dust. The ERBE TOA outgoing shortwave fluxes were also found to correlate well with the dust loading derived from TOMS over ocean. However, the calculated shortwave forcing of Saharan dust aerosols is very weak and noisy over land for the range of solar zenith angle viewed by the NOAA-9 ERBE in 1985. Sensitivity factors of the TOA outgoing fluxes to changes in aerosol index were estimated using a linear regression fit to the ERBE and TOMS measurements. The ratio of the shortwave-to-longwave response to changes in dust loading over the ocean is found to be roughly 2 to 3, but opposite in sign. The monthly averaged "clear-sky" TOA direct forcing of airborne Saharan dust was also calculated by multiplying these sensitivity factors by the TOMS monthly averaged "clear-sky" aerosol index. Both the observational and theoretical analyses indicate that the dust layer height, ambient moisture content as well as the presence of cloud all play an important role in determining the TOA direct radiative forcing due to mineral aerosols.

Hsu, N. Christina↗

Performance of Ceramics in Severe Environments

Ceramics are generally stable to higher temperatures than most metals and alloys. Thus the development of high temperature structural ceramics has been an area of active research for many years. While the dream of a ceramic heat engine still faces many challenges, niche markets are developing for these materials at high temperatures. In these applications, ceramics are exposed not only to high temperatures but also aggressive gases and deposits. In this chapter we review the response of ceramic materials to these environments. We discuss corrosion mechanisms, the relative importance of a particular corrodent, and, where available, corrosion rates. Most of the available corrosion information is on silicon carbide (SIC) and silicon nitride (Si3N4) monolithic ceramics. These materials form a stable film of silica (SO2) in an oxidizing environment. We begin with a discussion of oxidation of these materials and proceed to the effects of other corrodents such as water vapor and salt deposits. We also discuss oxidation and corrosion of other ceramics: precurser derived ceramics, ceramic matrix composites (CMCs), ceramics which form oxide scales other than silica, and oxide ceramics. Many of the corrosion issues discussed can be mitigated with refractory oxide coatings and we discuss the current status of this active area of research. Ultimately, the concern of corrosion is loss of load bearing capability. We discuss the effects of corrosive environments on the strength of ceramics, both monolithic and composite. We conclude with a discussion of high temperature wear of ceramics, another important form of degradation at high temperatures.

Jacobson, Nathan S.↗

Hybrid Analytics Solution for Power Plant Operations

Expert Microsystems, Inc., MapEx Software Inc. and XMPLR Energy LLC have teamed to submit a proposal to the US Department of Energy’s Office of Fossil Energy to improve the efficiency, reliability and flexibility of existing coal-based power plants. The project, titled Hybrid Analytics Solution to Improve Coal Power Plant Operations (the “Hybrid Analytics” project), will develop, demonstrate and commercialize a novel approach that integrates two proven real-time monitoring techniques. The Hybrid Analytics approach integrates into a single, integrated solution: a) an established, advanced data-driven analytics solution that includes artificial intelligence, advanced pattern recognition and machine-learning techniques and b) a well-proven, first principle thermal heat balance model solution. The future role of coal plants will depend on the ability to cycle and follow loads to meet marginal power demands, accommodate renewables and support the grid. Essential to success in this new role is a plant’s ability to maintain high reliability, efficiency and flexibility. However, these changing operational demands put significant stresses on power plant components that directly impact the ability to deliver these requirements. In the past, plants have independently monitored performance using physics-based solutions (heat rate, boiler losses, etc.) and reliability using data-driven analytics (advanced pattern recognition). The Hybrid Analytics solution integrates both approaches to enhance fault detection, provide automated diagnostics and estimates of remaining time to act, and provide critical, enhanced and accurate real-time information to coal plant operators. As a result, coal plants can improve efficiency, reliability, and flexibility and can cost-effectively maintain their key role in the power delivery system.

01 COAL, LIGNITE, AND PEAT↗

Risk of Impaired Performance Due to Reduced Muscle Mass, Strength &, Endurance (Short Title: Muscle) and Risk of Reduced Physical Performance Capabilities Due to Reduced Aerobic Capacity (Short Title: Aerobic)

This report reviews the scientific literature regarding the human system risks to the microgravity environment of space flight in relation to human performance. The primary human performance-related risks involve deconditioning of the cardiovascular and skeletal muscles systems due to prolonged exposure to the reduced gravitational input. The chronological history of U.S. space flight is reviewed as a starting point to inform and understand the gaps in the knowledge to these risks. Maintenance of physical performance capabilities involves understanding the health of many organ systems (peripheral [vascular, heart, blood volume, skeletal muscle] and central [brain]) that ultimately contribute to the submaximal and maximal capacity of the aerobic (VO2peak), skeletal muscle (strength and endurance) systems. Maintaining astronaut VO2peak, muscle mass, strength, and endurance before, during, and after space flight is a significant priority to NASA for the current International Space Station (ISS) era, as well as for future exploration missions. A growing research database from both space flight and ground-based analog studies finds that the cardiorespiratory system is compromised and skeletal muscles (predominantly postural muscles of the lower limbs) undergo atrophy. These structural and metabolic responses to living in microgravity conditions contribute to physiological deconditioning during space flight that potentially increase the risks to astronauts returning to surface operations (i.e., Moon, Mars, or Earth). The time course changes from short to long-duration space flight and the relationships between in-flight performance deconditioning levels are not well characterized. Moreover, there are large interindividual variabilities that may be dependent on genetics, age, sex, preflight fitness levels, and individual exercise prescriptions that need further careful evaluations. Efforts should be made to understand the current status of preflight, in-flight, and postflight exercise performance capability and to define the operational goals and target areas for protection with the in-flight exercise program. There is a bi-directional relationship between exercise prescription and hardware countermeasures that need further understanding in-flight. For example, hardware with limited capabilities/modalities may be counterbalanced by changes in exercise prescription (i.e., frequency, time, intensity, volume) for providing effective responses to maintain fitness. Importantly, the minimal requirements for exercise prescription on ISS hardware may not translate to lower capability hardware on exploration missions. Due to limited volume on exploration vehicles, future Artemis missions to the Lunar surface will not have similar exercise hardware capabilities as ISS. This may alter the effectiveness of hardware to provide adequate physiological stress on bodily systems allowing for adaptations to maintain aerobic capacity, strength, and bone density. Thus, it will be important to understand the exercise responses of current ISS countermeasures to develop individualized exercise prescriptions that minimize aerobic and muscular risks, accounting for the large variability of responses among crewmembers. Newer exploration exercise hardware is currently being evaluated that is more compact (i.e., E4D and Orion Flywheel) and will require careful evaluation of the hardware on the stressor (i.e., metabolic rate, oxygen uptake, and heart rate work relationships, and force plate load profiles) needed the human body to protect and maintain crew health and performance. Moreover, exercise responses on the hardware need careful evaluation on the chronic adaptations. Lastly, in-flight evaluation of hardware exercise response may differ in 0-g or partial-g compared to 1-g. Therefore, it cannot be assumed that the stress on the body will be the same in each environment. Understanding this has a direct impact on exercise prescriptions. This document provides an overview of key scientific investigations that have been conducted before, during, and after human space flight missions, as well as from human ground-based analog studies that contribute to the evidence base on changes in aerobic capacity and muscle mass, strength, and endurance. Additional data from rodent and nonhuman primate experiments of skeletal muscle unloading completed during space flight or ground-based flight-simulations provide supportive information about this risk topic. Most importantly, a recent, large dataset from long-duration ISS crew has been added to give improved insight into the variability of exercise response of crew, demonstrating that a large portion of the crew population return to Earth with greater than 10-20% loss of aerobic capacity and muscle strength and endurance. Data from human space flight and ground-based studies are narrowing in on the required exercise paradigms but thus far still provide an incomplete answer to an effective approach for maintaining skeletal muscle function and aerobic fitness of all human space travelers. Finally, the relationship of this risk topic to various space flight operational scenarios is examined and discussed.

Eric Rivas↗

Fragment-based initialization for quantum subspace methods

Here, we present a novel quantum-classical algorithm called LAS-QKSD for multireference systems, by combining a classical localized active space (LAS) fragment-based multireference algorithm with the quantum Krylov subspace diagonalization (QKSD) method for quantum computers. The algorithm uses wave function information from a LAS self-consistent field (LASSCF) calculation to prepare an initial state with better overlap with the target ground state than the Hartree-Fock state. This is coupled with the use of QKSD to ultimately converge to the exact energy, providing faster convergence than starting from the Hartree-Fock state. Fragmentation has the two-fold benefit of fewer configurations on the classical side of the algorithm as well as fewer state preparation gates on the quantum side. First, we compare the LAS-QKSD method to the classical LASSCF method and to QKSD with a Hartree-Fock initial state. We then examine ways to load the LASSCF wave function using direct initialization and a QKSD-motivated spectral filtering approach. Finally, using a bimetallic complex, we show that the LAS-QKSD method is an efficient alternative to highly expensive complete active space SCF (CASSCF) calculations on strongly correlated systems.

D'Cunha, Ruhee↗

Scalable Pattern Matching in Metadata Graphs via Constraint Checking

Pattern matching is a fundamental tool for answering complex graph queries. Unfortunately, existing solutions have limited capabilities: They do not scale to process large graphs and/or support only a restricted set of search templates or usage scenarios. Moreover, the algorithms at the core of the existing techniques are not suitable for today’s graph processing infrastructures relying on horizontal scalability and shared-nothing clusters, as most of these algorithms are inherently sequential and difficult to parallelize. In this article we present an algorithmic pipeline that bases pattern matching on constraint checking. The key intuition is that each vertex and edge participating in a match has to meet a set of constraints implicitly specified by the search template. These constraints can be verified independently and typically are less expensive to compute than searching the full template. The pipeline we propose generates these constraints and iterates over them to eliminate all the vertices and edges that do not participate in any match, thus reducing the background graph to a subgraph that is the union of all template matches—the complete set of all vertices and edges that participate in at least one match. Additional analysis can be performed on this annotated, reduced graph, such as full match enumeration, match counting, or computing vertex/edge centrality. Furthermore, a vertex-centric formulation for constraint checking algorithms exists, and this makes it possible to harness existing high-performance, vertex-centric graph processing frameworks. This technique (i) enables highly scalable pattern matching in metadata (labeled) graphs; (ii) supports arbitrary patterns with 100% precision; (iii) enables tradeoffs between precision and time-to-solution, while always selects all vertices and edges that participate in matches, thus offering 100% recall; and (iv) supports a set of popular data analytics scenarios. We implement our approach on top of HavoqGT, an open-source asynchronous graph processing framework, and demonstrate its advantages through strong and weak scaling experiments on massive scale real-world (up to 257 billion edges) and synthetic (up to 4.4 trillion edges) labeled graphs, respectively, and at scales (1,024 nodes / 36,864 cores), orders of magnitude larger than used in the past for similar problems. This article serves two purposes: First, it synthesises the knowledge accumulated during a long-term project. Second, it presents new system features, usage scenarios, optimizations, and comparisons with related work that strengthen the confidence that pattern matching based on iterative pruning via constraint checking is an effective and scalable approach in practice. The new contributions include the following: (i) We demonstrate the ability of the constraint checking approach to efficiently support two additional search scenarios that often emerge in practice, interactive incremental search and exploratory search. (ii) We empirically compare our solution with two additional state-of-the-art systems, Arabsque and TriAD. (iii) We show the ability of our solution to accommodate a more diverse range of datasets with varying properties, e.g., scale, skewness, label distribution, and match frequency. (iv) We introduce or extend a number of system features (e.g., work aggregation, load balancing, and the ability to cap the generated traffic) and design optimizations and demonstrate their advantages with respect to improving performance and scalability. (v) We present bottleneck analysis and insights into artifacts that influence performance. (vi) We present a theoretical complexity argument that motivates the performance gains we observe.

97 MATHEMATICS AND COMPUTING↗

A Conceptual Design of the Reactor Cavity Cooling System for the Horizontal Compact High Temperature Gas Reactor (HC-HTGR)

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. This report documents the design study to derive a conceptual design study of the RCCS for the HC-HTGR. It includes the identification of the functions and requirements of the HC-HTGR RCCS, design analyses including high-level design consideration and the calculations for optimizing design space of the system with supporting component-level analysis to inform the material selection and performance of the water panel, the description of the conceptual design of the HC-HTGR RCCS derived based on the analyses results, and performance evaluation of the conceptual RCCS for the HC-HTGR. A detailed concept of the RCCS has been identified and high-level system requirements has been developed for the HC-HTGR. Design space focusing on the natural circulation loop portion of the RCCS has been investigated to optimize the system performance. The initial baseline dimensions were firstly derived based on the scoping calculations. A component level design analysis was conducted for the water panel to inform the material selection and to assess its conduction performance. A preliminary system-level performance analysis was performed for the 1/8th of the compartment of the initial baseline design of the RCCS using RELAP5-3D. To improve the system thermal performance, the RCCS design has been updated by exploring various design options by design parametric analyses. Based on the results, the conceptual design of the RCCS for the HC-HTGR has been derived, which satisfies the target performance of ~1 MWt at the elevated vessel wall temperature conditions. Transient simulations were conducted for the conceptual RCCS design for the HC-HTGR under various operation modes and heat load conditions using RELAP5-3D. The system dynamics in different operating states was investigated and the system performance under transients of interest was evaluated. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat removal in the design process with certain transients addressed. The HC-HTGR RCCS will have additional design updates of subsystems or optimization of the system components during the preliminary and final design phases. Since the entire plant has not been integrated yet, this delivered conceptual design is subject to changes for integration, that require additional conceptual design activities and Quality and Assurance implementation (Q&A). The performance assessment of the RCCS for the HC-HTGR will be then revisited and optimized to finalize the system design, and the RCCS integrated primary system analysis will be utilized to simulate selective accident scenarios of interest where efforts are currently undergoing in the project.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Prediction of blade-vortex interaction noise from measured blade pressure

The impulsive nature of noise due to the interaction of a rotor blade with a tip vortex is studied. The time signature of this noise is calculated theoretically based on the measured blade surface pressure fluctuation of an operational load survey rotor in slow descending flight and is compared with the simultaneous microphone measurement. Particularly, the physical understanding of the characteristic features of a waveform is extensively studied in order to understand the generating mechanism and to identify the important parameters. The interaction trajectory of a tip vortex on an acoustic planform is shown to be a very important parameter for the impulsive shape of the noise. The unsteady nature of the pressure distribution at the very leading edge is also important to the pulse shape. The theoretical model using noncompact liner acoustics predicts the general shape of interaction impulse pretty well except for peak amplitude which requires more continuous information along the span at the leading edge.

Nakamura, Y.↗