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DOE OSTI2025

BlueCRAB Domain Overlapping Coupling: Theory & Verification

Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Initial-State Dependent Optimization of Controlled Gate Operations with Quantum Computer

There is no unique way to encode a quantum algorithm into a quantum circuit. With limited qubit counts, connectivity, and coherence times, a quantum circuit optimization is essential to make the best use of near-term quantum devices. We introduce a new circuit optimizer called AQCEL, which aims to remove redundant controlled operations from controlled gates, depending on initial states of the circuit. Especially, the AQCEL can remove unnecessary qubit controls from multi-controlled gates in polynomial computational resources, even when all the relevant qubits are entangled, by identifying zero-amplitude computational basis states using a quantum computer. As a benchmark, the AQCEL is deployed on a quantum algorithm designed to model final state radiation in high energy physics. For this benchmark, we have demonstrated that the AQCEL-optimized circuit can produce equivalent final states with much smaller number of gates. Moreover, when deploying AQCEL with a noisy intermediate scale quantum computer, it efficiently produces a quantum circuit that approximates the original circuit with high fidelity by truncating low-amplitude computational basis states below certain thresholds. Our technique is useful for a wide variety of quantum algorithms, opening up new possibilities to further simplify quantum circuits to be more effective for real devices.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Filaments of the Slime Mold Cosmic Web and How They Affect Galaxy Evolution

Abstract We present a novel approach for identifying cosmic web filaments within theDisPerSEstructure identification framework, using cosmic density field estimates from the Monte Carlo Physarum Machine (MCPM), inspired by the slime mold organism. We apply our method to the IllustrisTNG (TNG100) cosmological simulations and investigate the impact of filaments on galaxies. The MCPM density field is superior to the Delaunay tessellation field estimator in tracing the true underlying matter distribution and allows filaments to be identified with higher fidelity, finding more low-prominence/diffuse filaments. Using our new filament catalogs, we find that ≳90% of galaxies are located within ∼1.5 Mpc of a filamentary spine, with little change in the median star formation activity with distance to the nearest filament. Instead, we uncover a differential effect of the local filament line density, Σ fil (MCPM)—the total MCPM overdensity per unit length along a filament segment—on galaxy formation: most galaxies are quenched and gas-poor near high-line density filaments atz≤ 1. At earlier times, the filamentary environment appears to have no effect on galactic gas supply and quenching. Atz= 0, quenching in log ( M * / M ⊙ ) ≳ 10.5 galaxies is mainly driven by mass, while lower-mass galaxies are significantly affected by the filament line density. Satellites are far more susceptible to filaments than centrals. The local environments of massive halos are not sufficient to account for the effect of filament line density on gas removal and quenching. Our new approach holds great promise for observationally identifying filaments from galaxy surveys such as SDSS and DESI.

Astronomy & Astrophysics↗

NASA NTRS1998

An approach to the design and implementation of spacecraft attitude control systems

Over 39 years and a long list of missions, the guidance, navigation, and control (GN&C) groups at the Goddard Space Flight Center have gradually developed approaches to the design and implementation of successful spacecraft attitude control systems. With the recent creation of the Guidance, Navigation, and Control Center at Goddard, there is a desire to document some of these design practices to help to ensure their consistent application in the future. In this paper, we will discuss the beginnings of this effort, drawing primarily on the experience of one of the past attitude control system (ACS) groups at Goddard (what was formerly known as Code 712, the Guidance, Navigation, and Control Branch). We will discuss the analysis and design methods and criteria used, including guidelines for linear and nonlinear analysis, as well as the use of low- and high-fidelity simulation for system design and verification of performance. Descriptions of typical ACS sensor and actuator hardware will be shown, and typical sensor/actuator suites for a variety of mission types detailed. A description of the software and hardware test effort will be given, along with an attempt to make some qualitative estimates on how much effort is involved. The spacecraft and GN&C subsystem review cycles will be discussed, giving an outline of what design reviews are typically held and what information should be presented at each stage. Finally, we will point out some of the lessons learned at Goddard.

ODonnell, James R., Jr.↗

NASA NTRS1998

An Approach to the Design and Implementation of Spacecraft Attitude Control Systems

Over 39 years and a long list of missions, the guidance, navigation, and control (GN&C) groups at the Goddard Space Flight Center have gradually developed approaches to the design and implementation of successful spacecraft attitude control systems. With the recent creation of the Guidance, Navigation, and Control Center at Goddard, there is a desire to document some of these design practices to help to ensure their consistent application in the future. In this paper, we will discuss the beginnings of this effort, drawing primarily on the experience of one of the past attitude control system (ACS) groups at Goddard (what was formerly known as Code 712, the Guidance, Navigation, and Control Branch). We will discuss the analysis and design methods and criteria used, including guidelines for linear and nonlinear analysis, as well as the use of low- and high-fidelity simulation for system design and verification of performance. Descriptions of typical ACS sensor and actuator hardware will be shown, and typical sensor/actuator suites for a variety of mission types detailed. A description of the software and hardware test effort will be given, along with an attempt to make some qualitative estimates on how much effort is involved. The spacecraft and GN&C subsystem review cycles will be discussed, giving an outline of what design reviews are typically held and .what information should be presented at each stage. Finally, we will point out some of the lessons learned at Goddard.

ODonnell, James R., Jr.↗

NASA NTRS2001

Rocket Design for the Future

The focus of the AA MDO team is to reduce product development cost through the capture and automation of best design and analysis practices and through increasing the availability of low-cost, high-fidelity analysis. Implementation of robust designs reduces costs associated with the Test-Fall-Fix cycle. RD is currently focusing on several technologies to improve the design process, including optimization and robust design, expert and rule-based systems, and collaborative technologies.

Follett, William W.↗

NASA NTRSDate not supplied

Optimization of the Lunar Icecube Trajectory Using Stochastic Global Search and Multi-Point Shooting

Lunar IceCube is a 6U cubesat that will launch on NASA’s Artemis 1 mission in 2021. Lunar IceCube will separate from Artemis 1 shortly after trans-lunar injection (TLI) and travel to its science orbit about the moon using its Busek Ion Thruster 3 (BIT-3) propulsion system. This paper describes a technique to rapidly design Lunar IceCube trajectories using the monotonic basin hopping (MBH) stochastic global search algorithm, along with low- and high-fidelity multi-point shooting transcriptions. This technique allows the Lunar IceCube team to rapidly adapt to changing initial conditions, spacecraft properties, and operational constraints.

optimization↗

NASA NTRSDate not supplied

Practical Conceptual Design of Quieter Urban VTOL Aircraft

A toolchain and process for conceptual design of VTOL rotorcraft, employing low- and mid-fidelity tools is presented. The approach is capable of providing more quantitatively-credible trades between noise, size, and cost metrics than the methods commonly used for conceptual design. In addition to a general conceptual design tool, the approach employs comprehensive analysis for trim, blade motion, and airloads; these are then used by acoustic analysis software to develop source sound, propagate it, and calculate noise metrics. A key aspect of the approach is flexibility to assess varied aircraft types and different technologies and design features. Vehicles are sized using a representative Urban Air Mobility design mission. Demonstration cases are presented for a single main rotor helicopter, quadrotor, side-by-side helicopter, and lift+cruise aircraft. Noise metrics used for demonstration are the FAA/EASA certification Effective Perceived Noise Levels for takeoff, flyover, and approach. The concept aircraft in this study are shown to achieve reductions in noise relative the initial design points, with changes in mission performance and cost as a consequence. Many of the designs are predicted to be tens of EPNdB quieter in the certification metrics than existing helicopters.

Conceptual Design↗

NASA NTRSDate not supplied

Advances in EDL Flight Mechanics Modeling & Simulation

Flight mechanics modeling and simulation is an area of continuous development. One of the industry-standard simulation tools in the Program to Optimize Spacecraft Trajectories II (POST2) is developed and maintained in-house at Langley Research Center. Recent uses of this tool include assessing GN&C performance of human-scale Lunar and Mars landing systems using generalized low- and medium-fidelity navigation sensor models required for precision landing. This talk will review recent POST2 simulation developments, as well as how current and planned advances in GN&C modeling enable rapid assessment of spacecraft integrated performance.

POST2↗

NASA NTRSDate not supplied

Development of New Lunar Highland Regolith Simulant, NUW-LHT-5M

Introduction: NASA has a need for large quantities of lunar simulants that closely match future manned lunar missions at landing sites near the Lunar South Pole. The current simulant was designed to approximate NU-LHT-2M, and -4M, except using natural minerals and a fully synthetic, non-basaltic, high calcium glass. Washington Mills in Niagara Falls, NY was contracted to produce this new simulant due to their electric arc furnace (EAF) fusion technology and capabilities for crushing and sizing ceramics. The primary objectives of this work were: (1) to create a commercially produced simulant that contains a high fidelity, high calcium (An90+), low Mg/Fe glass without basaltic constituents; (2) to create a simulant that uses existing, terrestrially mined, and readily available minerals blended with a synthetic glass, and (3) accomplish objectives (1) and (2) using conventional processing methods capable of production levels that can meet substantial current and future demands of NASA projects. Another consideration was that highland simulants closest to meeting these requirements, NU-LHT-2M and -4M types, are out of production and largely out of stock. Design: The design chosen for development and production for this work is NU-LHT-2M, de-signed by Doug Stoeser and Douglas Rickman, which uses Stillwater anorthosite and norite rocks and synthetic glass. The composition targeted the average composition, glass content and particle size distribution of Apollo 16 samples [1]. The design utilizes two Stillwater minerals, anorthosite (37.7 wt.%), norite (17.6 wt.%), a commercially sourced olivine (4.7 wt.%), and a synthetic glass (40 wt.%). Processing: Stillwater rocks were hand collected and initially crushed by the USGS. Further crushing and milling was performed at Washing-ton Mills. For the glass, oxides were blended in the ap-propriate ratios, blended in a v-blender, and placed in a graphite lined, water cooled pot. The mixture was fused in Washington Mills’ pilot scale, 500 kW EAF. The molten glass was then poured into water and quenched to inhibit crystallization. Several pour/quench cycles were required to produce the total quantity of glass needed. Anorthosite, norite and olivine were milled together to the target particle size in a ball mill. The glass was ball milled separately. The complete simulant was produced by blending the milled materials. Particle size distribution, phase and chemical analyses of the materials was were per-formed at Washington Mills. Results: The glass composition was found to match the Apollo 16 oxide content average [1] quite well, with the exception of SiO2 and Fe2O3. The deviation of SiO2 and Fe2O3 from batched content was believed to be due to limitations inherent in the use of the arc furnace technique for these types of materials. A particle size distribution of the full simulant formulation closely matching the average for the Apollo 16 samples was also achieved. Fig. 1 shows the morphology of the final simulant particles. The size distribution is compared to the target in Fig. 2. Conclusions: A new lunar highlands type simulant containing a high-quality synthetic glass, closely matching an average composition of the Apollo 16 regolith was produced. Processing utilized easily scalable mineral and glass making methods.

simulant↗

NASA NTRSDate not supplied

Development of New Lunar Highland Regolith Simulant, NUW-LHT-5M

simulant↗

NASA NTRSDate not supplied

Conceptual Design Trade Studies for Acoustic Predictions of the NASA UAM Tiltrotor Reference Vehicle

A toolchain of low-and mid-fidelity tools is applied to NASA’s Urban Air Mobility tiltrotor reference vehicle to quantify trades in sizing, performance, and noise at the conceptual design level. The process includes conceptual sizing, comprehensive analysis, and acoustic analysis to design and analyze versions of the concept tiltrotor with differing design variables. Rotor tip speed is the primary design variable studied, with blade twist, blade taper, and blade number also considered. The noise metrics used are the FAA/EASA certification Effective Perceived Noise Levels for takeoff, flyover, and approach. Certification condition noise is calculated for all conditions in both conversion and airplane flight modes, with airplane mode flight resulting in noise 10-25EPNdB quieter than conversion mode and tip speed variation providing noise reduction up to 9EPNdB.

Acoustic↗

NASA NTRSDate not supplied

Motor Configuration Selection for A New Technical Challenge to Develop A 5 MW Cryogenic Motor and Drive

Due to aviation’s appreciable and growing share of humanity’s impact on our environment and estimates that CO2emissions only account for 34% of aviation’s total effective radiative forcing [1], there is a need to reach beyond climate goals that focus only on CO2emissions, such as the US Aviation Climate Action Plan’s [3] goal to reach net-zero carbon emissions by 2050.There is motivation to develop technology that pushes toward future large transport aircraft with net zero climate impact that are highly electrified (i.e., have higher power electrical propulsion system components). This paper describes a new, 6-year technical challenge to address this need by developing a 5 MW superconducting motor and cryogenic drive. Section 1 will detail the motivation for this work. Section 2 will describe the technical challenge and the selected specifications for the motor. Section 3 will present the results of a motor configuration trade study and the down selection of one configuration to develop a detailed design for. The technical challenge focuses on the design of a5 MW superconducting motor and cryogenic drive and demonstration of it at a 2+ MW scale to achieve TRL 3. Both fully superconducting (superconducting stator and rotor) and fully cryogenic (superconducting rotor and cryogenic stator) machine configurations will be explored. An emphasis will be placed on addressing the key tall poles for high power superconducting machines. Further details will be included in the full paper. The requirements and goals of the motor will be detailed. The rated speed (2,000 to 3,000 rpm) is defined to be appropriate for directly driving multi-MW fans or propellers. A range of rated speed is permitted because the motor is not designed for a specific aircraft and to provide design flexibility if AC losses in the stator winding are found to be a significant constraint (i.e., a lower speed can be selected to reduce electrical frequency). Relatively conservative requirements for efficiency (99%) and specific power (20 kW/kg) are defined, because TRL advancement and pushing toward flight readiness is emphasized over performance optimization. However, more aggressive efficiency and specific power goals are specified (99.9% and 40 kW/kg). The 3rd section will present the results of a motor configuration trade study. The study started with a qualitative assessment of sixteen motor configurations based on geometric, mechanical, thermal, and electromagnetic criteria. This assessment has been completed with three evaluators scoring all nine criteria. A configuration down select was made by prioritizing the sixteen configurations into four tiers based on each configuration’s total score and consideration of manufacturability, complexity, and support hardware (e.g., rotary vacuum seals, bearings). Configurations in priority A and B will be further evaluated through quantitative assessments, whereas those in priority C will only be further evaluated if time permits and priority D will not be further evaluated. Eight of the sixteen configurations were down selected for quantitative assessment, which will include analytical calculations and low-to moderate-fidelity finite element analysis to produce a preliminary Pareto front of efficiency versus specific power for each configuration. This assessment emphasizes the calculation of AC losses in the stator winding and an exploration of thermal management approaches to remove that heat and maintain cryogenic temperature. The final paper will include a description of each motor configuration that was considered. The quantitative assessments are underway, and an assessment of one configuration is complete for multiple stator conductor options. The remaining assessments are scheduled to be completed by late March so that the final down select to one configuration can be included in this paper.

Net Zero↗

NASA NTRSDate not supplied

Toward High-Quality X-59 Sonic Thump Measurements

Brigham Young University has been investigating best practices for recommendation to NASA in upcoming X-59 sonic thump measurements. This preparatory work has focused both on obtaining high-fidelity data and standardizing signal analysis techniques for sonic thumps. Included in the research are topics such as whether to use a ground-based or elevated microphone, how to use low-noise microphones and still recover high-fidelity data at low frequencies, and estimating the uncertainty in a given measurement due to local atmospheric turbulence effects. Also included is a study of windowing techniques, zero padding, and the removal of high-frequency ambient noise contamination.

sonic boom↗

NASA NTRS2010

Boom-Constrained Drag Minimization for Design of Supersonic Concepts

This paper presents an approach to modifying an existing baseline configuration that has been designed to achieve low-boom characteristics in order to minimize drag while not severely penalizing baseline sonic boom levels. The baseline configuration that was used is the result of using a mixed-fidelity CFD-based low-boom design process that has been tested and verified. Shape modifications are carried out by using arbitrary shape-deformation algorithms. The focus of this paper is the integration of several key enabling techniques and methods for efficient redesign under stringent constraints.

Rallabhandi, Sriram K.↗

DOE OSTI2021

High-fidelity kinetic modeling of instabilities and gyromotion physics in nonuniform low-beta plasmas

A fourth-order accurate continuum kinetic Vlasov solver and a systematic method for constructing customizable kinetic equilibria are demonstrated to be powerful tools for the study of nonuniform collisionless low-beta plasmas. The noise-free methodology is applied to investigate two gradient-driven instabilities in 4D (x,y,vx,vy) phase space: the Kelvin–Helmholtz instability and the lower hybrid drift instability. Nonuniform two-species configurations where ion gyroradii are comparable to gradient scale lengths are explored. The approach sheds light on the evolution of the pressure tensor in Kelvin–Helmholtz instabilities and demonstrates that the associated stress tensor deviates significantly from the gyroviscous stress tensor. Even at high magnetization, first-order approximations to finite-gyromotion physics are shown to be inadequate for the Kelvin–Helmholtz instability, as shear scales evolve to become on par with gyromotion scales. The methodology facilitates exploring transport and energy partitioning properties associated with lower hybrid drift instabilities in low-beta plasma configurations. Distribution function features are captured in detail, including the formation of local extrema in the vicinity of particle-wave resonances. Finally, the approach enables detailed targeted investigations and advances kinetic simulation capability for plasmas in which gyromotion plays an important role.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry

Modeling complex materials using high-fidelity, ab initio methods at low cost is a fundamental goal for quantum chemical software packages. The GW approximation and random phase approximation (RPA) provide a unified description of both electronic structure and total energies using the same physics in a many-body perturbative approach that can be more accurate than generalized-gradient density functional theory (DFT) methods. However, GW/RPA implementations have historically been limited to either specific materials classes or application toward small chemical systems. Here, the static subspace approximation allows for reduced cost full-frequency GW/RPA calculations and has previously been benchmarked thoroughly for GW calculations. Here, we describe our approach to including partial occupations of electronic orbitals in full-frequency GW and RPA calculations for the study of electrocatalysts. We benchmarked RPA total energy calculations using the subspace approximation across a diverse test suite of materials for a variety of computational parameters. The benchmarking quantifies the impact of different extrapolation procedures for representing the static polarizability at infinite screened cutoff, and shows that using screened cutoffs above 20-25 Ryd result in diminishing accuracy returns for predicting RPA total energies. Additionally, for moderately sized electrocatalytic models, 2-3 times fewer computational resources are used to compute RPA total energies by representing the static polarizability with 20-30% of the static subspace basis, with an error of approximately 0.01 eV or better in RPA adsorption energy calculations. Finally, we show that for these electrochemical models RPA can shift DFT adsorption energy shifts by up to 0.5 eV and that GW can frequently shift DFT eigenvalues of surface and adsorbate states by approximately 0.5-1 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2024

Determining Simulation Fidelity Necessary for Evaluating Onboard Vehicle Capabilities and Crew Roles on Long Duration Exploration Missions Beyond Low-Earth Orbit

Identification of onboard vehicle capabilities and crew roles and responsibilities necessary for achieving effective human-systems collaboration will require iterative cycles of concept development and empirical evaluation of human performance in complex operations. This report presents the results of an effort to lay the groundwork for determining the level of fidelity of simulated environments most suitable for validating concepts and evaluating implementations of a new Human Systems Integration Architecture (HSIA) that will support the flight crew on long duration exploration missions beyond low-Earth orbit. To do that, we conducted a literature review on simulation fidelity and surveyed simulation capabilities inside and outside of NASA used in NASA-sponsored research. We also analyzed two International Space Station (ISS) vehicle anomalies to identify the types of scenario events and crew activities that may need to be simulated. Our survey findings reveal that most NASA simulation facilities are designed to achieve high physical fidelity while HSIA risk mitigation requires simulation emphasizing task and functional fidelity aspects. A trade analysis shows that, for standard and requirement development, evaluation conducted using synthetic task environments with inexperienced participants will support testing a wide variety of conditions and yield findings robust enough to be generalized to a wide variety of designs on which developed standards and requirements might be levied while allowing human performance standard measures to be collected using consistent methods across tasks and conditions. For technology/tool development, because findings will only need to be generalized to the actual target environment in which the technology/tool will be used, it is more suitable to evaluate the prototypes in a scaled world that preserves functional relationships present in the actual target environment with intended user populations. To wrap up, we give an overview of a well-known synthetical task environment in the space domain and discuss what it takes to construct a synthetic task environment.

simulation fidelity↗