SEARCH · Search NASA

Results for “Complex systems theory”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26

All sources NASA NTRS DOE OSTI

NASA NTRS1981

The dynamics and control of large flexible space structures

The dynamics and attitude and shape control of very large, inherently flexible spacecraft systems were investigated. Increasingly more complex examples were examined, beginning with a uniform free-free beam, next a free-free uniform plate/platform and finally by considering a thin shallow spherical shell structure in orbit. The effects devices were modeled. For given sets of assumed actuator locations, the controllability of these systems was first established. Control laws for each of the actuators were developed based on decoupling techniques (including distributed modal control) pole placement algorithms and a application of the linear regulator problem for optical control theory.

Bainum, P. M.↗

NASA NTRS1991

Maximized gust loads for a nonlinear airplane using matched filter theory and constrained optimization

Two matched filter theory based schemes are described and illustrated for obtaining maximized and time correlated gust loads for a nonlinear aircraft. The first scheme is computationally fast because it uses a simple 1-D search procedure to obtain its answers. The second scheme is computationally slow because it uses a more complex multi-dimensional search procedure to obtain its answers, but it consistently provides slightly higher maximum loads than the first scheme. Both schemes are illustrated with numerical examples involving a nonlinear control system.

Scott, Robert C.↗

NASA NTRS2022

The Harmonic Linearized Navier-Stokes Equations for Transition Prediction in Three-Dimensional Flows

The conventional method to predict the onset of laminar-turbulent transition in convectively unstable boundary-layer flows is based on the logarithmic amplification ratio, the so-called N-factor, of the linear instability waves. To calculate the N-factor, the flow variables are decomposed into a laminar basic state solution and the linear disturbances, which are assumed to be harmonic in time. The most commonly used linear stability analysis approaches include the locally parallel linear stability theory (LST) and the nonlocal, weakly nonparallel parabolized stability equations (PSE). However, these methods do not account for strong streamwise gradients that are encountered in several configurations of interest, such as those in the vicinity of roughness elements, steps, gaps, or corners. To compute the linear evolution of disturbances along such strongly nonparallel regions, the harmonic linearized Navier-Stokes equations (HLNSE) need to be solved. The discretization of the HLNSE for spanwise/azimuthally inhomogeneous laminar basic states yields a linear system of complex arithmetic with a leading dimension of the order of 10^(7) to 10^(8) even in relatively simple flows. A combined multithread and multiprocessor algorithm is implemented for the direct solution of such linear systems. Results for a supersonic boundary layer over a three-dimensional roughness patch show good agreement with experimental measurements when the evolution of the instability waves over the roughness patch is included via the HLNSE. Additionally, inflow-resolvent analysis based on the HLNSE for discrete-roughness-induced disturbances in the nose tip of a blunt cone at Mach 6 demonstrates the importance of including the disturbance amplification along the near vicinity of the roughness element and separation region.

Boundary Layer Stability↗

DOE OSTI2024

Impact of intermolecular interactions on the spectroscopic signals, energetics, and redox behavior of high valent 237 Np (Final Report)

Our studies have led to definitive spectral assignments for neptunyl-neptunyl interactions in aqueous solutions that will be valuable for predicting Np(V) speciation in solution. We have definitively demonstrated how actinyl-hydrogen and actinyl-cation interactions can influence spectral features for uranyl and neptunyl system. In addition, we have developed DFT methodologies to predict enthalpies of formation for uranyl and neptunyl systems and linked stability to chemical descriptors (hydrogen interaction energies or the electrostatic attraction energies). The counterion influenced the rate of Np(V) oxidation to Np(VI) neptunates and [Np(VII)O 4 OH] 3- complexes. Oxidation to Np(VII) during ozonolysis takes place through the presence of hydroxyl radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Cities Are Concentrators of Complex, MultiSectoral Interactions Within the Human-Earth System

Cities are concentrators of complex, multi-sectoral interactions. As keystones in the interconnected human-Earth system, cities have an outsized impact on the Earth system. We describe a multi-lens framework for organizing our understanding of the complexity of urban systems and scientific research on urban systems, which may be useful for natural system scientists exploring the ways their work can be made more actionable. We then describe four critical dimensions along which improvements are needed to advance the urban research that addresses urgent climate challenges: (a) solutions-oriented research, (b) equity-centered assessments which rely on fine-scale human and ecological data, (c) co-production of knowledge, and (d) better integration of human and natural systems occurring through theory, observation, and modeling.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1973

A suboptimal stochastic controller for an N-body spacecraft

Considerable attention, in the open literature, is being focused on the problem of developing a suitable set of deterministic dynamical equations for a complex spacecraft. This paper considers the problem of determining a stochastic optimal controller for an n-body spacecraft. The approach used in obtaining the stochastic controller involves the application, interpretation, and combination of advanced dynamical principles and the theoretical aspects of modern control theory. The stochastic controller obtained herein for a complicated model of a spacecraft uses sensor angular measurements associated with the base body to obtain smoothed estimates of the entire state vector. It can be easily implemented, and it enables system performance to be significantly improved.

Larson, V.↗

NASA NTRS1983

Antennas

Reception of the exceedingly small signals from spacecraft typical of deep space communication requires antennas of enormous size, complexity, and precision. The two Voyager spacecraft each have 20-watt X-band transmitters; and at their Saturn encounter distances from Earth of approximately 1.5 billion kilometers, the power density received on the Earth was less than 10 to the minus 19th power watts per square meters. The thrust in deep-space communications improvement was in the areas of ground and spacecraft antenna size and performance increases, spacecraft transmitter power increase, ground receiving system design, and telemetry information coding. Ground antenna theory, design, and performance as related to the particular problem of receiving spacecraft signals using the Deep Space Network (DSN) is described.

Slobin, S. D.↗

NASA NTRS1991

Some partial-unit-memory convolutional codes

The results of a study on a class of error correcting codes called partial unit memory (PUM) codes are presented. This class of codes, though not entirely new, has until now remained relatively unexplored. The possibility of using the well developed theory of block codes to construct a large family of promising PUM codes is shown. The performance of several specific PUM codes are compared with that of the Voyager standard (2, 1, 6) convolutional code. It was found that these codes can outperform the Voyager code with little or no increase in decoder complexity. This suggests that there may very well be PUM codes that can be used for deep space telemetry that offer both increased performance and decreased implementational complexity over current coding systems.

Abdel-Ghaffar, K.↗

DOE OSTI2025

Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation

Single-molecule magnets (SMMs) are promising candidates for molecular-scale data storage and processing due to their strong magnetic anisotropy and long spin relaxation times. However, as temperature rises, interactions between electronic states and lattice vibrations accelerate spin relaxation, significantly limiting their practical applications. Recently, ab initio simulations have made it possible to advance our understanding of phonon-induced magnetic relaxation, but significant deviations from experiments have often been observed. The description of molecules’ electronic structure has been mostly based on complete active space self-consistent field (CASSCF) calculations, and the impact of electron correlation beyond the active space remains largely unexplored. In this study, we provide the first systematic investigation of spin-phonon relaxation in SMMs with post-CASSCF multiconfigurational methods, specifically CAS followed by second-order perturbation theory and multiconfiguration pair-density functional theory. Taking Co(II)- and Dy(III)-based SMMs as case studies, we analyze how electron correlation influences spin-phonon relaxation rates across a range of temperatures, comparing theoretical predictions with experimental observations. Our findings demonstrate that post-CASSCF treatments make it possible to achieve quantitative predictions for Co(II)-based SMMs. For Dy(III)-based systems, however, accurate predictions require consideration of additional effects, underscoring the urgent necessity of further advancing the study of the effects of electronic correlation in these complex systems.

Energy↗

DOE OSTI2025

Nonlinear Topological Photonics: Capturing Nonlinear Dynamics and Optical Thermodynamics

Combining multiple optical resonators or engineering dispersion of complex media has provided an effective method for demonstrating topological physics controlling photons in unprecedented ways such as unidirectional light propagation and spatially localized modes between an interface or on a corner. Further, adding nonlinear responses to those topological photonic systems has enabled achieving diverse phases of photons in both space and time, allowing for more functionalities in photonic devices that provide a new playground for studying dynamic features of nonlinear topological systems. However, most methods for describing nonlinear topological photonic systems rely on linear topological theories, making it challenging to accurately characterize the topology of nonlinear systems. Thus, substantial efforts have focused on rigorously describing nonlinear topological phases and developing effective tools to analyze nonlinear topological effects. Meanwhile, coupled multimode optical waveguides with nonlinear dynamic responses provide an excellent platform for the statistical description of photons, opening a new paradigm called “optical thermodynamics”. This review will introduce the basic concepts of nonlinear topological photonics and the recent development of theoretical approaches focusing on data-driven approaches for creating phase diagrams as well as the spectral localizer framework and the pseudospectrum method for understanding optical nonlinearities in topological systems. In addition, the new concept of optical thermodynamics will be introduced with some recent theoretical works.

Topological photonics↗

DOE OSTI2025

Electronic structure complexity and extremely large magnetoresistance in antiferromagnetic semimetal SmAgSb 2

SmAgSb 2 , a layered magnetic semimetal in the tetragonal 𝑅⁢𝑇⁢ Sb 2 family (𝑅 = Y, Sc, rare earth; 𝑇 = transition metal), is known to exhibit extremely large magnetoresistance (XMR) below its antiferromagnetic (AFM) transition temperature. Here, in this work, we present a comprehensive investigation combining magnetotransport measurements, density functional theory calculations accounting for electron correlation, and angle-resolved photoemission spectroscopy. Our results reveal a complex electronic structure characterized by a multiband Fermi surface and intricate magnetic ground states. We demonstrate that simple two-band models, previously employed in the literature, fail to consistently describe the observed transport phenomena. Notably, we report an XMR of approximately 25200% at 2 K under a 14 T magnetic field, significantly exceeding earlier reports for this material family and rivaling the performance of prominent nonmagnetic XMR systems. This pronounced enhancement below 𝑇 𝑁 suggests that the XMR originates from a combination of multiband electron-hole compensation and enhanced magnetic scattering in this correlated AFM semimetal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1972

A high speed sequential decoder

The performance and theory of operation for the High Speed Hard Decision Sequential Decoder are delineated. The decoder is a forward error correction system which is capable of accepting data from binary-phase-shift-keyed and quadriphase-shift-keyed modems at input data rates up to 30 megabits per second. Test results show that the decoder is capable of maintaining a composite error rate of 0.00001 at an input E sub b/N sub o of 5.6 db. This performance has been obtained with minimum circuit complexity.

Lum, H., Jr.↗

NASA NTRS1985

A first-order time-domain Green's function approach to supersonic unsteady flow

A time-domain Green's Function Method for unsteady supersonic potential flow around complex aircraft configurations is presented. The focus is on the supersonic range wherein the linear potential flow assumption is valid. The Green's function method is employed in order to convert the potential-flow differential equation into an integral one. This integral equation is then discretized, in space through standard finite-element technique, and in time through finite-difference, to yield a linear algebraic system of equations relating the unknown potential to its prescribed co-normalwash (boundary condition) on the surface of the aircraft. The arbitrary complex aircraft configuration is discretized into hyperboloidal (twisted quadrilateral) panels. The potential and co-normalwash are assumed to vary linearly within each panel. Consistent with the spatial linear (first-order) finite-element approximations, the potential and co-normalwash are assumed to vary linearly in time. The long range goal of our research is to develop a comprehensive theory for unsteady supersonic potential aerodynamics which is capable of yielding accurate results even in the low supersonic (i.e., high transonic) range.

Freedman, M. I.↗

NASA NTRS2002

Dynamical Approach Study of Spurious Numerics in Nonlinear Computations

The last two decades have been an era when computation is ahead of analysis and when very large scale practical computations are increasingly used in poorly understood multiscale complex nonlinear physical problems and non-traditional fields. Ensuring a higher level of confidence in the predictability and reliability (PAR) of these numerical simulations could play a major role in furthering the design, understanding, affordability and safety of our next generation air and space transportation systems, and systems for planetary and atmospheric sciences, and in understanding the evolution and origin of life. The need to guarantee PAR becomes acute when computations offer the ONLY way of solving these types of data limited problems. Employing theory from nonlinear dynamical systems, some building blocks to ensure a higher level of confidence in PAR of numerical simulations have been revealed by the author and world expert collaborators in relevant fields. Five building blocks with supporting numerical examples were discussed. The next step is to utilize knowledge gained by including nonlinear dynamics, bifurcation and chaos theories as an integral part of the numerical process. The third step is to design integrated criteria for reliable and accurate algorithms that cater to the different multiscale nonlinear physics. This includes but is not limited to the construction of appropriate adaptive spatial and temporal discretizations that are suitable for the underlying governing equations. In addition, a multiresolution wavelets approach for adaptive numerical dissipation/filter controls for high speed turbulence, acoustics and combustion simulations will be sought. These steps are corner stones for guarding against spurious numerical solutions that are solutions of the discretized counterparts but are not solutions of the underlying governing equations.

Yee, H. C.↗

DOE OSTI2025

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics↗

DOE OSTI2025

Can Dithiolate Ligands Report Electronic Communication in Transuranium Complexes?

The actinide elements, and in particular the transuranic elements, are some of the least studied elements on the periodic table. The degree of covalent bonding between the actinide elements and ligands in is not well understood. Dithiolene/dithiolate ligands provided a revolution in understanding the bonding in transition metals through the geometric differences the ligands exhibit when interacting with electron deficient or abundant metal centers. To test if dithiolene/dithiolate ligands can be utilized to provide an analogous understanding of transuranic element bonding, density functional theory calculations have been performed on U, Np, and Pu complexes of the formula Cp 2 AnS 2 C 2 H 2 . These calculations show that the dithiolate maintains its non-innocent redox active nature when bonding with actinides. In stark contrast with the transition metals, the direction of electron donation is reversed, in the actinide series the direction of electron flow in high fold cases is from the metal center to the ligand. In conclusion, this suggests the communication is between the π* system of the ligand interacting with the f orbitals of the metal center.

Prange, Micah P. [Pacific Northwest National Labor↗

NASA NTRS1991

A comparison of frequency domain design and l1-optimal control

A frequency-domain design methodology is applied to a DC motor-speed control system and the results are compared to those obtained using l1-optimal control theory (Pearson and Bamieh, 1990). Both methods synthesize controllers that maximize the allowable size of an unknown-but-bounded disturbance while satisfying prespecified constraints on the control, the control rate, and the outputs. The frequency-domain design technique in general results in much lower-order compensators than those required by the l1-optimal method for a given size of disturbance. Also, the design trade-offs regarding the bandwidth of the system, the size of the disturbance input, and the structural complexity of the controller transfer function become quite transparent.

Jayasuriya, Suhada↗

DOE OSTI2025

Application of machine learning interatomic potentials in heterogeneous catalysis

Heterogeneous catalysts are crucial in modern societies as they promote sustainability by enabling lower-energy pathways for various chemical reactions. While Density Functional Theory (DFT) computations can provide critical insights into how heterogeneous catalysts operate at the atomic level, they are limited by computational costs and unfavorable scaling with system size. Recently, machine learning interatomic potentials (MLIPs) have emerged as a promising alternative to DFT, offering near-DFT accuracy at significantly reduced cost. Here, in this perspective, we discuss the application of MLIPs in heterogeneous catalyst modeling as a surrogate for DFT. We detail how MLIPs have been applied in thermal catalysis to probe active sites, enable studying complex metallic and nanoporous catalysts, and investigate the reconstruction of catalytic surfaces. We review the use of MLIPs in electrocatalysis and photocatalysis, emphasizing their capabilities in studying transition metal oxide surfaces and solid–liquid interfaces. We also discuss the current limitations of MLIPs, particularly their challenges with transferability and description of non-local interactions. Finally, we conclude by identifying promising and underexplored domains in which MLIPs can further advance our understanding of heterogeneous catalysts.

Catalytic surfaces↗