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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Sequential Decision Making (SDM) for Mesh Refinement and Model Selection in Multiscale, Multi-Physics Applications

Intelligent automation and decision support are needed to enhance computational efficiency and robustness in multiscale and multi-physics problems, including materials science, manufacturing, and climate and weather modeling. Current scientific computing approaches for enabling decisions by scientists fail to explore the role of learning, reasoning, and probabilistic planning. Often these decisions are not performed in real-time during the computation but are made prior to the start of the computation, which must be interrupted in order to make changes to the prior choices. Such interruptions at different stages of the computation increase the total computing time and the need for a human expert to frequently monitor the results. State of art scientific computing methods consist of rule-based algorithms that cannot automatically adapt to a dynamically changing computing environment. The development of a Sequential Decision Making (SDM) framework will automate scientific computing by optimizing the policies for mesh refinement, time-stepping, model and algorithm selection, resource allocation, and pre and post-processing. Our agent SDM framework for scientific computing will consist of data-driven learning (Classifier), automated reasoning (contextual knowledge), and probabilistic planning (Reinforcement Learning). In this project, we focused on three problems to demonstrate our SDM framework on a set of ordinary and partial differential equations. Classification of Lorenz system regions using Feed-Forward Neural Networks examined learning in the SDM framework. On the other hand, reasoning and planning in the SDM framework were used in two problems: adaptive time-stepping for nonlinear ODEs using on-policy RL algorithms, and adaptive mesh refinement for 2-D PDEs using off-policy RL algorithms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Evaluation of non-intrusive flow measurement techniques for a re-entry flight experiment

This study evaluates various non-intrusive techniques for the measurement of the flow field on the windward side of the Space Shuttle orbiter or a similar reentry vehicle. Included are linear (Rayleigh, Raman, Mie, Laser Doppler Velocimetry, Resonant Doppler Velocimetry) and nonlinear (Coherent Anti-Stokes Raman, Laser-Induced Fluorescence) light scattering, electron-beam fluorescence, thermal emission, and mass spectroscopy. Flow-field properties were taken from a nonequilibrium flow model by Shinn, Moss, and Simmonds at the NASA Langley Research Center. Conclusions are, when possible, based on quantitative scaling of known laboratory results to the conditions projected. Detailed discussion with researchers in the field contributed further to these conclusions and provided valuable insights regarding the experimental feasibility of each of the techniques.

Miles, R. B.↗
NASA NTRS1981

Singular perturbation, state aggregation and nonlinear filtering

Consideration is given to a state process evolving in R(n), whose motion is that of a pure jump process in R(n) in the 0(1) time scale, upon which is superimposed a continuous motion along the orbits of a gradient-like vector field g in R(n) in the 0(1/epsilon) time scale. The infinitesimal generator of the state process is, in other words, of the form L + (1/epsilon)g. It follows from the main results presented that the projected filters converge to the finite state Wonham filter corresponding to the problem of estimating the finite state process in the presence of additive white noise.

Hijab, O.↗
NASA NTRS2004

The QuakeSim Project: Numerical Simulations for Active Tectonic Processes

In order to develop a solid earth science framework for understanding and studying of active tectonic and earthquake processes, this task develops simulation and analysis tools to study the physics of earthquakes using state-of-the art modeling, data manipulation, and pattern recognition technologies. We develop clearly defined accessible data formats and code protocols as inputs to the simulations. these are adapted to high-performance computers because the solid earth system is extremely complex and nonlinear resulting in computationally intensive problems with millions of unknowns. With these tools it will be possible to construct the more complex models and simulations necessary to develop hazard assessment systems critical for reducing future losses from major earthquakes.

tectonic processes↗
DOE OSTI2026

Evolution of the Antarctic Ice Sheet from 2000–2300 and beyond: model sensitivity and uncertainty analysis using MPAS-Albany Land Ice

We present a description of the Antarctic Ice Sheet model configuration submitted to the ISMIP6-Antarctica-2300 experiment using the MPAS-Albany Land Ice model, along with three new sets of simulations: (1) a set of extended simulations to 2500 for three forced experiments and to 2775 for the control experiment; (2) a sensitivity analysis of our model configuration to parameters controlling basal sliding and sub-shelf melt, and to model structural choices including the choice of the energy and stress balances; and (3) a 72-member ensemble run on graphics processing units (GPUs) and analysis of variance to determine the primary sources of uncertainty in our ice-sheet model projections. Our extended simulations predict rapid retreat beginning after 2300 for SSP1-2.6 forcing and after 2500 for present-day (control) forcing, primarily in the Amundsen Sea Embayment. We find that varying the sub-shelf melt parameter between the 5th to 95th percentile values for a mean-Antarctic calibration target results in an up to ∼ ± 40 % change in sea-level contribution relative to our baseline simulations that used the median value. Using a linear basal sliding law reduces sea-level contribution by 51 %–73 % relative to our baseline nonlinear sliding law with an exponent of 1/5. When using basal sliding law exponents of 1/3 and 1/10, the overall difference from our baseline simulations at 2300 is on the order of 10 %. The Amundsen Sea Embayment region displays a strongly non-linear dependence of mass loss on the sliding law exponent, with no discernible relationship between the sliding law exponent and the mass loss by 2300, while the sectors feeding the Ross and Filchner-Ronne ice shelves exhibit more mass loss with a more-plastic sliding law. Our model fidelity sensitivity experiments reveal a 9 %–31 % increase in sea-level contribution when using a depth-integrated stress balance approximation relative to our three-dimensional solver, while using a fixed-in-time temperature field increases sea-level contribution by 14 %–88 % relative to two thermomechanically coupled configurations. Our 72-member ensemble and analysis of variance show that the uncertainty in long-term projections is dominated by the choice of Earth system model forcing and the presence or absence of hydrofracture forcing, rather than uncertainty in sliding and sub-shelf melt parameters.

58 GEOSCIENCES↗
DOE OSTI2026

Searching for the Most Harmful Field Errors in the HSR IR Superconducting Magnets

In this project, we improve beam stability for the Electron-Ion Collider. Magnetic field errors can reduce beam stability, making it essential to identify the field errors that have the greatest impact on accelerator performance. However, this is particularly challenging because beam stability depends on the complex interactions of many magnetic field errors, resulting in a high-dimensional and nonlinear optimization problem. We determine which field errors are the most influential for the large physical aperture superconducting magnet B2PF, a critical magnet in the Interaction Region (IR) in the Hadron Storage Ring (HSR). We complete and analyze nearly 30,000 simulations on the Brookhaven National Laboratory Linux Cluster by varying 18 nonlinear magnetic field errors. We evaluate beam stability using the dynamic aperture and the tune diffusion. We identify the field errors that most strongly influence beam stability and establish quantitative field error tolerances that improve accelerator performance.

43 PARTICLE ACCELERATORS↗
NASA NTRS1987

Differential surface models for tactile perception of shape and on-line tracking of features

Tactile perception of shape involves an on-line controller and a shape perceptor. The purpose of the on-line controller is to maintain gliding or rolling contact with the surface, and collect information, or track specific features of the surface such as edges of a certain sharpness. The shape perceptor uses the information to perceive, estimate the parameters of, or recognize the shape. The differential surface model depends on the information collected and on the a priori information known about the robot and its physical parameters. These differential models are certain functionals that are projections of the dynamics of the robot onto the surface gradient or onto the tangent plane. A number of differential properties may be directly measured from present day tactile sensors. Others may have to be indirectly computed from measurements. Others may constitute design objectives for distributed tactile sensors of the future. A parameterization of the surface leads to linear and nonlinear sequential parameter estimation techniques for identification of the surface. Many interesting compromises between measurement and computation are possible.

Hemami, H.↗
NASA NTRS2005

A Fundamental Mathematical Model of a Microbial Predenitrification System

Space flight beyond Low Earth Orbit requires sophisticated systems to support all aspects of the mission (life support, real-time communications, etc.). A common concern that cuts across all these systems is the selection of information technology (IT) methodology, software and hardware architectures to provide robust monitoring, diagnosis, and control support. Another dimension of the problem space is that different systems must be integrated seamlessly so that communication speed and data handling appear as a continuum (un-interrupted). One such team investigating this problem is the Advanced Integration Matrix (AIM) team whose role is to define the critical requirements expected of software and hardware to support an integrated approach to the command and control of Advanced Life Support (ALS) for future long-duration human space missions, including permanent human presence on the Moon and Mars. A goal of the AIM team is to set the foundation for testing criteria that will assist in specifying tasks, control schemes and test scenarios to validate and verify systems capabilities. This project is to contribute to the goals of the AIM team by assisting with controls planning for ALS. Control for ALS is an enormous problem it involves air revitalization, water recovery, food production, solids processing and crew. In more general terms, these systems can be characterized as involving both continuous and discrete processes, dynamic interactions among the sub-systems, nonlinear behavior due to the complex operations, and a large number of multivariable interactions due to the dimension of the state space. It is imperative that a baseline approach from which to measure performance is established especially when the expectation for the control system is complete autonomous control.

Hoo, Karlene A.↗
NASA NTRS2016

Development of Semi-Empirical Damping Equation for Baffled Tank with Oblate Spheroidal Dome

Propellant slosh is a potential source of disturbance that can significantly impact the stability of space vehicles. The slosh dynamics are typically represented by a mechanical model of a spring-mass-damper. This mechanical model is then included in the equation of motion of the entire vehicle for Guidance, Navigation and Control analysis. The typical parameters required by the mechanical model include natural frequency of the slosh, slosh mass, slosh mass center location, and the critical damping ratio. A fundamental study has been undertaken at NASA MSFC to understand the fluid damping physics from a ring baffle in the barrel section of a propellant tank. An asymptotic damping equation and CFD blended equation have been derived by NASA MSFC team to complement the popularly used Miles equation at different flow regimes. The new development has found success in providing a nonlinear damping model for the Space Launch System. The purpose of this study is to further extend the semi-empirical damping equations into the oblate spheroidal dome section of the propellant tanks. First, previous experimental data from the spherical baffled tank are collected and analyzed. Several methods of taking the dome curvature effect, including a generalized Miles equation, area projection method, and equalized fill height method, are assessed. CFD simulation is used to shed light on the interaction of vorticity around the baffle with the locally curved wall and liquid-gas interface. The final damping equation will be validated by a recent subscale test with an oblate spheroidal dome conducted at NASA MSFC.

Yang, H. Q.↗
DOE OSTI2022

Data-driven linear time advance operators for the acceleration of plasma physics simulation

In this study, we demonstrate the application of data-driven linear operator construction for time advance with a goal of accelerating plasma physics simulation. We apply dynamic mode decomposition (DMD) to data produced by the nonlinear SOLPS-ITER (Scrape-off Layer Plasma Simulator - International Thermonuclear Experimental Reactor) plasma boundary code suite in order to estimate a series of linear operators and monitor their predictive accuracy via online error analysis. We find that this approach defines when these dynamics can be represented by a sequence of approximate linear operators and is essential for providing consistent projections when compared to an unconstrained application. For linear diffusion and advection–diffusion fluid test problems, we construct and apply operators within explicit and implicit time advance schemes, demonstrating that stability can be robustly guaranteed in each case. We further investigate the use of the linear time advance operators within several integration methods including forward Euler, backward Euler, and the matrix exponential. The application of this method to simulation data from SOLPS-ITER, with varying levels of Markov chain Monte Carlo numerical noise, shows that constrained DMD operators yield a capability to identify, extract, and integrate a (slow) subset of the present timescales. Example applications show that for projected speedup factors of [Formula: see text], and [Formula: see text], a mean relative error of 3%, 5%, and 8% and maximum relative error less than 20% are achievable, which appears acceptable for typical SOLPS-ITER steady-state simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

An Incremental Gradient Method for Optimization Problems With Variational Inequality Constraints

We consider minimizing a sum of agent-specific nondifferentiable merely convex functions over the solution set of a variational inequality (VI) problem in that each agent is associated with a local monotone mapping. This problem finds an application in computation of the best equilibrium in nonlinear complementarity problems arising in transportation networks. We develop an iteratively regularized incremental gradient method where at each iteration, agents communicate over a directed cycle graph to update their solution iterates using their local information about the objective and the mapping. The proposed method is single-timescale in the sense that it does not involve any excessive hard-to-project computation per iteration. We derive nonasymptotic agent-wise convergence rates for the suboptimality of the global objective function and infeasibility of the VI constraints measured by a suitably defined dual gap function. Finally, the proposed method appears to be the first fully iterative scheme equipped with iteration complexity that can address distributed optimization problems with VI constraints over cycle graphs.

convergence↗
DOE OSTI2022

Development of a Control Co-Design Modeling Tool for Marine Hydrokinetic Turbines: Preprint

This report describes the ongoing and planned development of the software package CT-Opt (Current/Tidal Optimization), a control co-design modeling tool for marine hydrokinetic turbines. The commercialization of these turbines has faced significant challenges due to the complex, multidisciplinary nature of their design and the extreme environmental conditions of their operation. This project aims to create a modeling tool that will enable the efficient design of robust, cost-competitive hydrokinetic turbine systems. Rather than using traditional optimization methods, CT-Opt combines multiple models across a range of fidelities to enable coupled optimization of the system design and system controller via a control co-design approach. With this method, the parameters that affect system performance are considered more comprehensively at every stage of the design process. The lowest-fidelity, frequency-domain model called by CT-Opt is RAFT (Response Amplitudes of Floating Turbines), which was originally developed by the National Renewable Energy Laboratory (NREL) to model response amplitudes of floating offshore wind turbines. The highest-fidelity, time-domain model is OpenFAST, which was developed by NREL for land-based and offshore wind turbines. As part of the CT-Opt project, new functionalities will be added to RAFT and OpenFAST to enable the accurate simulation of fixed and floating marine hydrokinetic turbines. In addition to expanding the capabilities of RAFT and OpenFAST, new midfidelity models will be developed. These models will be based on RAFT and OpenFAST and will consist of linearized, state-space models derived from the fully coupled, nonlinear OpenFAST equations and derivative function surrogate models that approximate the nonlinear system behavior. Each model will be coupled with controllers to allow control co-design methods to be applied both within models and across fidelity levels, enabling efficient system optimization.

control co-design↗
NASA NTRS2007

Proceedings of the 20th International Symposium on Space Flight Dynamics

Topics include: Measuring Image Navigation and Registration Performance at the 3-Sigma Level Using Platinum Quality Landmarks; Flight Dynamics Performances of the MetOp A Satellite during the First Months of Operations; Visual Navigation - SARE Mission; Determining a Method of Enabling and Disabling the Integral Torque in the SDO Science and Inertial Mode Controllers; Guaranteeing Pointing Performance of the SDO Sun-Pointing Controllers in Light of Nonlinear Effects; SDO Delta H Mode Design and Analysis; Observing Mode Attitude Controller for the Lunar Reconnaissance Orbiter; Broken-Plane Maneuver Applications for Earth to Mars Trajectories; ExoMars Mission Analysis and Design - Launch, Cruise and Arrival Analyses; Mars Reconnaissance Orbiter Aerobraking Daily Operations and Collision Avoidance; Mars Reconnaissance Orbiter Interplanetary Cruise Navigation; Motion Parameters Determination of the SC and Phobos in the Project Phobos-Grunt; GRAS NRT Precise Orbit Determination: Operational Experience; Orbit Determination of LEO Satellites for a Single Pass through a Radar: Comparison of Methods; Orbit Determination System for Low Earth Orbit Satellites; Precise Orbit Determination for ALOS; Anti-Collision Function Design and Performances of the CNES Formation Flying Experiment on the PRISMA Mission; CNES Approaching Guidance Experiment within FFIORD; Maneuver Recovery Analysis for the Magnetospheric Multiscale Mission; SIMBOL-X: A Formation Flying Mission on HEO for Exploring the Universe; Spaceborne Autonomous and Ground Based Relative Orbit Control for the TerraSAR-X/TanDEM-X Formation; First In-Orbit Experience of TerraSAR-X Flight Dynamics Operations; Automated Target Planning for FUSE Using the SOVA Algorithm; Space Technology 5 Post-Launch Ground Attitude Estimation Experience; Standardizing Navigation Data: A Status Update; and A Study into the Method of Precise Orbit Determination of a HEO Orbiter by GPS and Accelerometer.

Woodard, Mark↗
NASA NTRS1983

Assessment of wetland productive capacity from a remote-sensing-based model - A NASA/NMFS joint research project

NASA and the U.S. National Marine Fisheries Service have undertaken the development of Landsat Thematic Mapper (TM) technology for the evaluation of the usefulness of wetlands to estuarine fish and shellfish production. Toward this end, a remote sensing-based Productive Capacity model has been developed which characterizes the biological and hydrographic features of a Gulf Coast Marsh to predict detrital export. Regression analyses of TM simulator data for wetland plant production estimation are noted to more accurately estimate the percent of total vegetative cover than biomass, indicating that a nonlinear relationship may be involved.

Butera, M. K.↗
DOE OSTI2021

The Corrected Distortion model for Lagrangian spray simulation of transcritical fuel injection

In this work, we present a detailed implementation and validation of the droplet modeling framework proposed by Dahms and Oefelein (2016) into the engine commercial CFD software CONVERGE using the User Defined Function (UDF) interface. The model accounts for the nonlinear deformation and oscillation experienced by liquid spray droplet injected into high pressure and temperature. Lagrangian spray simulations of Engine Combustion Network (ECN) Spray A are performed. Model validation against standard experimental measurements of liquid velocity, vapor mixture fraction is conducted. To perform more rigorous model validation, new experimental measurements based on Diffused Back Illumination (DBI) are introduced. The new measurements are processed for Projected Liquid Volume (PLV), which offers as close as possible one-to-one model validation for liquid penetration while offering new insights into the spray physics. Comparison with a One-D model based on adiabatic mixing theory by Siebers (1999) and Desantes et al. (2007) are also conducted. Through these model validation exercises, it is shown that the new framework improves liquid-phase penetration predictions, following a tendency for enhanced evaporation, compared to the standard approach for both Reynolds Average Navier Stokes (RANS) and Large Eddy Simulation (LES). Additionally, at the liquid length, maximum mixture fraction values predicted by the new approach are in good agreement those of an adiabatic mixing model. Qualitative analysis of the spray behaviors during the early stage of the injection process reveals that the proposed framework predicts significant increase in droplet evaporation rate with lower drop drag compared to the current standard approach.

42 ENGINEERING↗
DOE OSTI2026

Unitary Qubit Lattice Algorithms for Plasma Physics

This final technical report summarizes research conducted under DOE Award DE-SC0021653 to develop unitary Quantum Lattice Algorithms for modeling electromagnetic wave propagation and scattering in complex media, including plasmas. The project developed and validated quantum-inspired formulations of Maxwell's equations that preserve unitary evolution and can be evaluated on classical high-performance computing systems while providing a foundation for future quantum-computing implementations. Major accomplishments include the development of two- and three-dimensional algorithms for electromagnetic scattering; scalable, distributed-memory implementations demonstrated on the Perlmutter supercomputer; formulations for nonlinear lossless fluid dynamics and cold, lossless, inhomogeneous magnetized plasmas; and an explicit quantum algorithm for a time-discretized Lorenz model. Simulations reproduced a range of characteristic wave phenomena, including transient effects that are not readily apparent in conventional frequency-domain studies, demonstrating the effectiveness of the proposed approach for modeling complex electromagnetic and plasma systems. The work establishes a unified theoretical and computational framework for quantum and quantum-inspired simulation and provides a foundation for future implementation on fault-tolerant quantum systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Co-optimized machine-learned manifold models for large eddy simulation of turbulent combustion

Many modeling approaches in large eddy simulation (LES) of turbulent combustion employ a projection of the thermochemical state onto a low-dimensional manifold within state space to reduce the number of transported variables and hence computational cost. Flamelet-generated manifolds (FGM) is an example of a well-established, physics-based approach, but increasingly, principal component analysis (PCA) is being used as a data-driven method for generating manifold models. For both approaches, the nonlinear relationship between the location on the predefined manifold and the outputs of interest, such as reaction rates, can be tabulated or encoded in a neural network. This work proposes a new approach for manifold modeling that extends these existing approaches. A modified neural network structure simultaneously encodes the definition of the manifold variables, the nonlinear mapping, and the subfilter closure for LES. This allows all three of these aspects of the model to be co-optimized, generating a model from any source of combustion thermochemical state data. The manifold parameterizing variables are constrained to be linear combinations of species, as in FGM and PCA-based models, to aid in interpretability and implementation. For LES, subfilter variances of the manifold variables are also included as inputs. Two types of a priori analysis are performed to evaluate the new approach. In the first, the model is trained on data from one-dimensional premixed flames. In this case, the approach recovers the behavior of flamelet-based manifold approaches, and in fact slightly improves performance by identifying an optimized progress variable. The approach is also applied to data from direct numerical simulations of spherical ignition kernels in isotropic turbulence. For any specified manifold dimensionality, the new approach provides substantially lower prediction errors than a PCA-based model developed from the same data set. Additionally, the LES formulation of the new approach can provide accurate predictions for filtered reaction rates across a variety of filter widths.

97 MATHEMATICS AND COMPUTING↗