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DOE OSTI2024

FARM supervisory capabilities for thermal energy storage

The FARM (Feasible Actuator Range Modifier) module is a component of the RAVEN-based FORCE framework for the analysis of Integrated Energy Systems (IES). FARM aids HERON in the solution of the power dispatch problem by evaluating feasible set-point signals to be issued to the control systems of the different IES unit components. Set-points need to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). To enforce all these limits, a two-stage approach is adopted. First, the power dispatcher algorithm in HERON module estimates set-points that meet the constraints on the production variables, e.g., power levels and power ramp rate limits. These constraints are called explicit constraints. Then, if necessary, FARM adjusts these set-points to ensure the respect of the limits on the process variables of interest, given the knowledge of the system dynamics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). In this report, an overview of the major capabilities of the latest release of FARM is provided, along with a summary of the tool demonstration campaign conducted at the Dynamic Energy Technology and Integration Laboratory (DETAIL) facility. These results assess the performance of the control system architecture embedding FARM both as a Validator of the HERON power dispatcher and as a real time Supervisory control scheme. Additionally, the report outlines the areas that FARM might benefit from, along with proposed solutions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1996

CFD Analysis of the 24-inch JIRAD Hybrid Rocket Motor

A series of multispecies, multiphase computational fluid dynamics (CFD) analyses of the 24-inch diameter joint government industry industrial research and development (JIRAD) hybrid rocket motor is described. The 24-inch JIRAD hybrid motor operates by injection of liquid oxygen (LOX) into a vaporization plenum chamber upstream of ports in the hydroxyl-terminated polybutadiene (HTPB) solid fuel. The injector spray pattern had a strong influence on combustion stability of the JIRAD motor so a CFD study was initiated to define the injector end flow field under different oxidizer spray patterns and operating conditions. By using CFD to gain a clear picture of the flow field and temperature distribution within the JIRAD motor, it is hoped that the fundamental mechanisms of hybrid combustion instability may be identified and then suppressed by simple alterations to the oxidizer injection parameters such as injection angle and velocity. The simulations in this study were carried out using the General Algorithm for Analysis of Combustion SYstems (GALACSY) multiphase combustion codes. GALACSY consists of a comprehensive set of droplet dynamic submodels (atomization, evaporation, etc.) and a computationally efficient hydrocarbon chemistry package built around a robust Navier-Stokes solver optimized for low Mach number flows. Lagrangian tracking of dispersed particles describes a closely coupled spray phase. The CFD cases described in this paper represent various levels of simplification of the problem. They include: (A) gaseous oxygen with combusting fuel vapor blowing off the walls at various oxidizer injection angles and velocities, (B) gaseous oxygen with combusting fuel vapor blowing off the walls, and (C) liquid oxygen with combusting fuel vapor blowing off the walls. The study used an axisymmetric model and the results indicate that the injector design significantly effects the flow field in the injector end of the motor. Markedly different recirculation patterns are observed in the vaporization chamber as the oxygen velocity and/or spray pattern is varied. The ability of these recirculation patterns to stabilize the diffusion flame above the surface of the solid fuel gives a plausible explanation for the experimentally determined combustion stability characteristics of the JIRAD motor, and suggests how combustion stability can be assured by modifications to the injector design.

Liang, Pak-Yan↗

DOE OSTI2020

A Hybrid Stochastic-Interval Operation Strategy for Multi-Energy Microgrids

Increasing deployment of distributed energy resources intensifies interactions among electric, gas, heating, and cooling systems. Inherent uncertainties ranging from internal parameters to external inputs also impose significant challenges on system operation. A coordinated scheduling method is, therefore, desired for facilitating efficient operation of multi-energy microgrids under multiple uncertainties. In this paper, a deterministic coordinated scheduling model is developed first with detailed modeling of system dynamics and device parameters to fully characterize complex interactions among multi-energy carriers. Then, a hybrid stochastic-interval method is proposed to account for heterogeneous uncertainties in decisions of operational strategies. Specifically, performance and efficiency uncertainties of distributed energy resources, and injection uncertainty of renewable sources and multienergy demands are characterized by interval-based uncertain operation regions and probability distributions, respectively. A scenario-based two-stage algorithm is developed to solve the problem so that multiple uncertainties are preserved in the entire decision-making process. Moreover, adjustable operational strategies are determined to hedge uncertainty by considering operators’ risk preferences. The validity of the proposed method is verified by comprehensive case studies on a test system.

hybrid stochastic-interval approach↗

NASA NTRS2017

A Fast Hybrid (3-D/1-D) Model for Thermal Radiative Transfer in Cirrus via Successive Orders of Scattering

We investigate the impact of cirrus cloud heterogeneity on the direct emission by cloud or surface and on the scattering by ice particles in the thermal infrared (TIR). Realistic 3-D cirri are modeled with the 3DCLOUD code, and top-of-atmosphere radiances are simulated by the 3-D Monte Carlo radiative transfer (RT) algorithm 3DMCPOL for two (8.65 micrometers and 12.05 micrometers) channels of the Imaging Infrared Radiometer on CALIPSO. At nadir, comparisons of 1-D and 3-D RT show that 3-D radiances are larger than their 1-D counterparts for direct emission but smaller for scattered radiation. For our cirrus cases, 99% of the 3-D total radiance is computed by the third scattering order, which corresponds to 90% of the total computational effort, but larger optical thicknesses need more scattering orders. To radically accelerate the 3-D RT computations (using only few percent of 3-D RT time with a Monte Carlo code), even in the presence of large optical depths, we develop a hybrid model based on exact 3-D direct emission, the first scattering order from 1-D in each homogenized column, and an empirical adjustment linearly dependent on the optical thickness to account for higher scattering orders. Good agreement is found between the hybrid model and the exact 3-D radiances for two very different cirrus models without changing the empirical parameters. We anticipate that a future deterministic implementation of the hybrid model will be fast enough to process multiangle thermal imagery in a practical tomographic reconstruction of 3-D cirrus fields.

radiative transfer↗

DOE OSTI2021

Benchmarking Quantum Chemistry Computations with Variational, Imaginary Time Evolution, and Krylov Space Solver Algorithms

Quantum chemistry is a key application area for noisy-intermediate scale quantum (NISQ) devices, and therefore serves as an important benchmark for current and future quantum computer performance. Previous benchmarks in this field have focused on variational methods for computing ground and excited states of various molecules, including a benchmarking suite focused on the performance of computing ground states for alkali-hydrides under an array of error mitigation methods. State-of-the-art methods to reach chemical accuracy in hybrid quantum-classical electronic structure calculations of alkali hydride molecules on NISQ devices from IBM are outlined here. Here it is demonstrated how to extend the reach of variational eigensolvers with symmetry preserving Ansätze. Next, it is outlined how to use quantum imaginary time evolution and Lanczos as a complementary method to variational techniques, highlighting the advantages of each approach. Finally, a new error mitigation method is demonstrated which uses systematic error cancellation via hidden inverse gate constructions, improving the performance of typical variational algorithms. These results show that electronic structure calculations have advanced rapidly, to routine chemical accuracy for simple molecules, from their inception on quantum computers a few short years ago, and they point to further rapid progress to larger molecules as the power of NISQ devices grows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Fast Algorithms for Scientific Data Compression

Many scientific simulations and experiments generate terabytes to petabytes of data daily, necessitating data compression techniques. Unlike video and image compression, scientists require methods that accurately preserve primary data (PD) and derived quantities of interest (QoIs). In our previous work, we demonstrated the effectiveness of hybrid compression techniques that combine machine learning with traditional approaches. This paper presents innovative computational techniques aimed at expediting the compression pipeline. Our experiments, conducted on two distinct platforms with a large-scale XGC-based fusion simulation, demonstrate that the overhead incurred by these new approaches is less than one percent of the computational resources needed for the simulation.

Banerjee, Tania↗

DOE OSTI2022

Online peak-aware energy scheduling with untrusted advice

This paper studies the online energy scheduling problem in a hybrid model where the cost of energy is proportional to both the volume and peak usage, and where energy can be either locally generated or drawn from the grid. Inspired by recent advances in online algorithms with Machine Learned (ML) advice, we develop parameterized deterministic and randomized algorithms for this problem such that the level of reliance on the advice can be adjusted by a trust parameter. We then analyze the performance of the proposed algorithms using two performance metrics: robustness that measures the competitive ratio as a function of the trust parameter when the advice is inaccurate, and consistency for competitive ratio when the advice is accurate. Since the competitive ratio is analyzed in two different regimes, we further investigate the Pareto optimality of the proposed algorithms. Our results show that the proposed deterministic algorithm is Pareto-optimal, in the sense that no other online deterministic algorithms can dominate the robustness and consistency of our algorithm. Furthermore, we show that the proposed randomized algorithm dominates the Pareto-optimal deterministic algorithm. Our large-scale empirical evaluations using real traces of energy demand, energy prices, and renewable energy generations highlight that the proposed algorithms outperform worst-case optimized algorithms and fully data-driven algorithms.

Lee, Russell↗

NASA NTRS1985

STAR (Simple Tool for Automated Reasoning): Tutorial guide and reference manual

STAR is an interactive, interpreted programming language for the development and operation of Artificial Intelligence application systems. The language is intended for use primarily in the development of software application systems which rely on a combination of symbolic processing, central to the vast majority of AI algorithms, with routines and data structures defined in compiled languages such as C, FORTRAN and PASCAL. References to routines and data structures defined in compiled languages are intermixed with symbolic structures in STAR, resulting in a hybrid operating environment in which symbolic and non-symbolic processing and organization of data may interact to a high degree within the execution of particular application systems. The STAR language was developed in the course of a project involving AI techniques in the interpretation of imaging spectrometer data and is derived in part from a previous language called CLIP. The interpreter for STAR is implemented as a program defined in the language C and has been made available for distribution in source code form through NASA's Computer Software Management and Information Center (COSMIC). Contained within this report are the STAR Tutorial Guide, which introduces the language in a step-by-step manner, and the STAR Reference Manual, which provides a detailed summary of the features of STAR.

Borchardt, G. C.↗

NASA NTRS1991

A new technique for simulating composite material

This project dealt with the development on new methodologies and algorithms for the multi-spectrum electromagnetic characterization of large scale nonmetallic airborne vehicles and structures. A robust, low memory, and accurate methodology was developed which is particularly suited for modern machine architectures. This is a hybrid finite element method that combines two well known numerical solution approaches. That of the finite element method for modeling volumes and the boundary integral method which yields exact boundary conditions for terminating the finite element mesh. In addition, a variety of high frequency results were generated (such as diffraction coefficients for impedance surfaces and material layers) and a class of boundary conditions were developed which hold promise for more efficient simulations. During the course of this project, nearly 25 detailed research reports were generated along with an equal number of journal papers. The reports, papers, and journal articles are listed in the appendices along with their abstracts.

Volakis, John L.↗

DOE OSTI2021

Integration of Dynamical System Scaling to RAVEN and Facility Application

As part of the design optimization and model validation effort within the hybrid energy systems program, the research to implement dynamical system scaling (DSS) code to RAVEN is funded under the Integrated Energy System program in collaboration with the Digital Reactor Technology & Development department. The DSS data processing algorithm has been coded within the RAVEN framework along with other metrics and postprocessing models. The implemented code was tested using a gravity-driven draining tank draining case modeled in RELAP5-3D and generated data was successfully postprocessed based on the scaling analyses defined by DSS. Postprocessed data concluded less agreement for the tank exit velocity and indicated that the modeled input deck for RELAP5-3D requires modification to enforce minimal pressure differential effects to the draining process.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2014

Analysis and Simulation of the Simplified Aircraft-Based Paired Approach Concept With the ALAS Alerting Algorithm in Conjunction With Echelon and Offset Strategies

This report presents analytical and simulation results of an investigation into proposed operational concepts for closely spaced parallel runways, including the Simplified Aircraft-based Paired Approach (SAPA) with alerting and an escape maneuver, MITRE?s echelon spacing and no escape maneuver, and a hybrid concept aimed at lowering the visibility minima. We found that the SAPA procedure can be used at 950 ft separations or higher with next-generation avionics and that 1150 ft separations or higher is feasible with current-rule compliant ADS-B OUT. An additional 50 ft reduction in runway separation for the SAPA procedure is possible if different glideslopes are used. For the echelon concept we determined that current generation aircraft cannot conduct paired approaches on parallel paths using echelon spacing on runways less than 1400 ft apart and next-generation aircraft will not be able to conduct paired approach on runways less than 1050 ft apart. The hybrid concept added alerting and an escape maneuver starting 1 NM from the threshold when flying the echelon concept. This combination was found to be effective, but the probability of a collision can be seriously impacted if the turn component of the escape maneuver has to be disengaged near the ground (e.g. 300 ft or below) due to airport buildings and surrounding terrain. We also found that stabilizing the approach path in the straight-in segment was only possible if the merge point was at least 1.5 to 2 NM from the threshold unless the total system error can be sufficiently constrained on the offset path and final turn.

Torres-Pomales, Wilfredo↗

DOE OSTI2024

SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Codebase release r0.3 for SmoQyDQMC.jl

Cohen-Stead, Benjamin (ORCID:0000000279156280)↗

NASA NTRS1985

Robust Adaptive Control

Several concepts and results in robust adaptive control are are discussed and is organized in three parts. The first part surveys existing algorithms. Different formulations of the problem and theoretical solutions that have been suggested are reviewed here. The second part contains new results related to the role of persistent excitation in robust adaptive systems and the use of hybrid control to improve robustness. In the third part promising new areas for future research are suggested which combine different approaches currently known.

Narendra, K. S.↗

NASA NTRS1985

Improved numerical methods for turbulent viscous recirculating flows

The hybrid-upwind finite difference schemes employed in generally available combustor codes possess excessive numerical diffusion errors which preclude accurate quantative calculations. The present study has as its primary objective the identification and assessment of an improved solution algorithm as well as discretization schemes applicable to analysis of turbulent viscous recirculating flows. The assessment is carried out primarily in two dimensional/axisymetric geometries with a view to identifying an appropriate technique to be incorporated in a three-dimensional code.

Turan, A.↗

NASA NTRS1997

Physics of Rotation Powered Pulsars and Their Nebulae

This letter is my progress report for the Astrophysics Theory grant. The first goal of the research supported by this grant is to produce a time dependent theory of the unsteady relativistic collisionless shock wave terminating the relativistic wind from a pulsar, and compare the predicted surface brightness fluctuations to Hubble Space Telescope observations of the wisps in the Crab Nebula. The second goal is to model the production of electron-positron pairs over the polar caps of rotation powered pulsars, and use the results to predict the heating of the surface due to particle trapping and bombardment of the atmosphere at the base of the polar field lines. We have succeeded in creating a one dimensional hybrid code, in which the electron-positron pairs incident on the shock structure are modeled as a relativistic, adiabatic, ideal MHD fluid, while the heavy ions are treated as particles using a particle-in-cell algorithm. The electromagnetic fields are evaluated from the currents and charge densities in the pairs and the ions, while the particles and the fluid accelerate in response to the computed self-consistent electromagnetic fields. The results are promising, in that the underlying ion cyclotron instability generates finite amplitude, propagating magnetosonic waves in the pairs, whose wavelengths and frequencies, when translated into physical units, are comparable to the observed running waves of brightness observed by HST near the Crab pulsar. The code is undergoing a number of tests, to assure us that this preliminary correspondence is not an artifact. In the coming year, the observational appearance of the models will be computed and compared to the HST observations of the Crab now in hand, and used to predict the HST results which will be obtained the year after next. WE also developed a one dimensional cascade theory for pair creation over pulsars' polar caps. A linear integral equation describing the synchrotron cascade has been derived and solved by iterative techniques, in the case when a high energy electron moving parallel to a star centered dipole magnetic field initiates the cascade through curvature gamma ray emission.

Arons, Jonathan↗

NASA NTRS2005

Recent Developments in Hardware-in-the-Loop Formation Navigation and Control

The Formation Flying Test-Bed (FFTB) at NASA Goddard Space Flight Center (GSFC) provides a hardware-in-the-loop test environment for formation navigation and control. The facility is evolving as a modular, hybrid, dynamic simulation facility for end-tc-end guidance, navigation, and control (GN&C) design and analysis of formation flying spacecraft. The core capabilities of the FFTB, as a platform for testing critical hardware and software algorithms in-the-loop, are reviewed with a focus on many recent improvements. Two significant upgrades to the FFTB are a message-oriented middleware (MOM) architecture, and a software crosslink for inter-spacecraft ranging. The MOM architecture provides a common messaging bus for software agents, easing integration, arid supporting the GSFC Mission Services Evolution Center (GMSEC) architecture via software bridge. Additionally, the FFTB s hardware capabilities are expanding. Recently, two Low-Power Transceivers (LPTs) with ranging capability have been introduced into the FFTB. The LPT crosslinks will be connected to a modified Crosslink Channel Simulator (CCS), which applies realistic space-environment effects to the Radio Frequency (RF) signals produced by the LPTs.

Mitchell, Jason W.↗

NASA NTRS2007

Development of a Radio Frequency Space Environment Path Emulator for Evaluating Spacecraft Ranging Hardware

The Formation Flying Testbed (FFTB) at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) provides a hardware-in-the-loop test environment for formation navigation and control. The facility is evolving as a modular, hybrid, dynamic simulation facility for end-to-end guidance, navigation and. control (GN&C) design and analysis of formation flying spacecraft. The core capabilities of the FFTB, as a platform for testing critical hardware and software algorithms in-the-loop, have expanded to include S-band Radio Frequency (RF) modems for inter-spacecraft communication and ranging. To enable realistic simulations that require RF ranging sensors for relative navigation, a mechanism is needed to buffer the RF signals exchanged between spacecraft that accurately emulates the dynamic environment through which the RF signals travel, including the effects of medium, moving platforms, and radiated power. The Path Emulator for RF Signals (PERFS), currently under development at NASA GSFC, provides this capability. The function and performance of a prototype device are presented.

Mitchell, Jason W.↗