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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Conditions for continuation of the efficient curve for multi-objective control-structure optimization

The paper describes the conditions for continuation of the efficient curve for bi-objective control-structure optimization of a ten-bar truss with two collocated sensors and actuators. The curve has been obtained with an active set algorithm using a homotopy method. The curve is discontinuous. A general stability theory has been implemented to determine sufficient conditions for the persistence of minima, and bifurcation theory has been used to characterize the possible points of discontinuity of the path.

Rakowska, Joanna↗
DOE OSTI2025

Controlling Reaction Pathways of Ethylene Hydroformylation Using Isolated Bimetallic Rhodium–Cobalt Sites

Designing efficient ligand-free heterogeneous catalysts for ethylene hydroformylation to produce C 3 oxygenates is of importance for both fundamental research and practical applications, but it is often hindered by insufficient catalytic activity and selectivity. Here, this work designs isolated rhodium–cobalt (Rh–Co) sites confined within a ZSM-5 zeolite to enhance ethylene hydroformylation rates and selectivity while maintaining catalyst stability. By adjusting the Co/Al ratio in Co-ZSM-5, different sizes of Co are formed; subsequent Rh introduction produces isolated Rh 1 Co x clusters with different Rh–Co coordination numbers (CNs). In-situ characterizations and density functional theory calculations reveal that a Rh–Co CN of 3, corresponding to an isolated Rh 1 Co 3 site, provides optimal bindings to reaction intermediates and thus achieves the highest hydroformylation rates among supported Rh-based catalysts. This study demonstrates the role of coordination-tuning via a secondary metal in effectively controlling the reaction pathway over single Rh atom catalysts.

03 NATURAL GAS↗
NASA NTRS1979

Optimal singular control with applications to trajectory optimization

The switching conditions are expressed explicitly in terms of the derivatives of the Hamiltonians at the two ends of the switching. A new expression of the Kelley-Contensou necessary condition for the optimality of a singular arc is given. Some examples illustrating the application of the theory are presented.

Vinh, N. X.↗
NASA NTRS2003

Constrained Aeroacoustic Shape Optimization Using the Surrogate Management Framework

Reduction of noise generated by turbulent flow past the trailing-edge of a lifting surface is a challenge in many aeronautical and naval applications. Numerical predictions of trailing-edge noise necessitate the use of advanced simulation techniques such as large-eddy simulation (LES) in order to capture a wide range of turbulence scales which are the source of broadband noise. Aeroacoustic calculations of the flow over a model airfoil trailing edge using LES and aeroacoustic theory have been presented in Wang and Moin and were shown to agree favorably with experiments. The goal of the present work is to apply shape optimization to the trailing edge flow previously studied, in order to control aerodynamic noise.

Marsden, Alison L.↗
NASA NTRS1995

Modified Interior Distance Functions (Theory and Methods)

In this paper we introduced and developed the theory of Modified Interior Distance Functions (MIDF's). The MIDF is a Classical Lagrangian (CL) for a constrained optimization problem which is equivalent to the initial one and can be obtained from the latter by monotone transformation both the objective function and constraints. In contrast to the Interior Distance Functions (IDF's), which played a fundamental role in Interior Point Methods (IPM's), the MIDF's are defined on an extended feasible set and along with center, have two extra tools, which control the computational process: the barrier parameter and the vector of Lagrange multipliers. The extra tools allow to attach to the MEDF's very important properties of Augmented Lagrangeans. One can consider the MIDFs as Interior Augmented Lagrangeans. It makes MIDF's similar in spirit to Modified Barrier Functions (MBF's), although there is a fundamental difference between them both in theory and methods. Based on MIDF's theory, Modified Center Methods (MCM's) have been developed and analyzed. The MCM's find an unconstrained minimizer in primal space and update the Lagrange multipliers, while both the center and the barrier parameter can be fixed or updated at each step. The MCM's convergence was investigated, and their rate of convergence was estimated. The extension of the feasible set and the special role of the Lagrange multipliers allow to develop MCM's, which produce, in case of nondegenerate constrained optimization, a primal and dual sequences that converge to the primal-dual solutions with linear rate, even when both the center and the barrier parameter are fixed. Moreover, every Lagrange multipliers update shrinks the distance to the primal dual solution by a factor 0 less than gamma less than 1 which can be made as small as one wants by choosing a fixed interior point as a 'center' and a fixed but large enough barrier parameter. The numericai realization of MCM leads to the Newton MCM (NMCM). The approximation for the primal minimizer one finds by Newton Method followed by the Lagrange multipliers update. Due to the MCM convergence, when both the center and the barrier parameter are fixed, the condition of the MDF Hessism and the neighborhood of the primal ninimizer where Newton method is 'well' defined remains stable. It contributes to both the complexity and the numerical stability of the NMCM.

Polyak, Roman A.↗
NASA NTRSDate not supplied

Advances in Modeling Solar System Internet Structures and their Data Flows

With an ever-increasing presence in space, there is also an increasing burden on existing communications infrastructure. We are heading towards an inflection point where the traditional approach of scheduled, single-path communications for space will no longer be viable. One answer is Delay Tolerant Networking (DTN), which takes the once disparate system of point-to-point links and unifies them in a networked architecture, thereby making communications more scalable. However, much work remains for discovering and harnessing the underlying theory of DTN. For example, in the terrestrial setting the interplay between routing domains is well-understood, however this is not the case in DTNs. In this paper, we build up the fundamental foundations of DTN, with an emphasis on modeling time varying networks and data flows across them, with examples of cross-domain routing in a DTN. A lofty goal of DTN is to enable the so-called Solar System Internet (SSI), which implies a standardized and robust suite of protocols. These protocols include routing across disconnected networks using store, carry, and forward mechanisms, which is necessary due to the disconnections, delays, and mobility intrinsic to space networks. Due to these factors, each of which generalize traditional networking, there is a deep and rich theory of DTNs. Here we build off of past successes to broaden this theory while striving to keep actionable results a goal for future implementations and operations. The approach includes modeling the unicast, broadcast, and multicast communications using the language of hypergraphs, which capture the geometric properties of such networked communications algebraically. Also inherent to these networks is their time-varying nature, particularly given mobility, and hence we also cultivate modeling techniques that respect this time dependence. This leads us to develop models using tools from category theory and algebraic geometry, which provide a language well-suited to describing synchronization and optimization over such networks. We also introduce and study a novel generalization of curvature applicable to time-evolving networks, which provides quantitative controls on diffusion processes on the network. Because an interplanetary network would feature links with propagation delays the preclude discovery (feedback) mechanisms, they will always feature a scheduled component. However, it is beneficial to support discovery where possible. While DTNs do not yet have strong definitions for their analogues of autonomous systems or network areas, we show how to join dynamic and schedule-based routing domains, using the language of sheaves, which marks progress towards such definitions. We conclude with a discussion of the progress made, as well as suggestions for future work.

Delay Tolerant Networking↗
DOE OSTI2022

Towards Digital and Performance-Based Supervisory HVAC Control Delivery

Upgrading supervisory HVAC control in commercial buildings is one of the most attractive decarbonization tools at our disposal. Modern controls are software programs and can in theory be deployed at scale and with a low up-front carbon "pulse". In practice, however, control delivery is a disjointed and inefficient process, dominated by manual handoffs of imprecise English language documents. A particularly high barrier exists between control implementation and building energy modeling (BEM) which results in control sequences typically not being tested for correctness or performance before implementation. Together with industry partners, DOE and the national labs are developing an ecosystem of tools and standards that can support fully digital performance-based control delivery workflows. This paper describes this ecosystem, which consists of three mutually supportive efforts. Semantic models of buildings and their systems enable automatic configuration and installation of control software. Platform-neutral control descriptions separate control algorithms from control platforms and enable the creation of libraries of reference control implementations. Dynamic whole-building energy-control simulation that can execute physically realistic control sequences makes it possible to test and evaluate the performance of control sequences and then directly compile them for installation and execution in control systems. In addition to digitizing and streamlining project-level control delivery, these standards and related software support benchmarking of control algorithms, both rule-based and optimization-based, and help to both advance the state of the art and to implement ratings and programs that encourage the adoption of high-performance control.

building controls↗
DOE OSTI2023

Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering

Understanding the local chemical ordering propensity in random solid solutions, and tailoring its strength, can guide the design and discovery of complex, paradigm-shifting multicomponent alloys. First, we present a simple thermodynamic framework, based solely on binary enthalpies of mixing, to select optimal alloying elements to control the nature and extent of chemical ordering in high-entropy alloys (HEAs). Next, we couple high-resolution electron microscopy, atom probe tomography, hybrid Monte-Carlo, special quasirandom structures, and density functional theory calculations to demonstrate how controlled additions of Al and Ti and subsequent annealing drive chemical ordering in nearly random equiatomic face-centered cubic CoFeNi solid solution. We establish that short-range ordered domains, the precursors of long-range ordered precipitates, inform mechanical properties. Specifically, a progressively increasing local order boosts the tensile yield strengths of the parent CoFeNi alloy by a factor of four while also substantially improving ductility, which breaks the so-called strength–ductility paradox. Finally, we validate the generality of our approach by predicting and demonstrating that controlled additions of Al, which has large negative enthalpies of mixing with the constituent elements of another nearly random body-centered cubic refractory NbTaTi HEA, also introduces chemical ordering and enhances mechanical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Wet to Dry Controls Lanthanide Scandate Synthesis

The choice of temperature and gas conditions used in a water pressure-controlled reactor is guided by density functional theory (DFT) to synthesize nearly phase pure lanthanide scandate nanoparticles (LnScO 3 , Ln = La, Nd, Sm, Gd). In this synthetic method, low water vapor partial pressures, well below water’s gas liquidus, inhibit particle growth, while an excess of water vapor results in undesired rare earth hydroxide and oxyhydroxide secondary phases. The optimal humidity for high-purity LnScO 3 particle synthesis is shown to vary with the lanthanide; DFT is used to calculate the thermodynamics of secondary phase formation for each lanthanide tested, such that the role of water vapor may be quantified and used to maintain phase purity (greater than 96 mol%) across the series. Furthermore, the combination of thermodynamic calculation and experimental confirmation with this pressure-controlled reactor provides an opportunity to explore analogous syntheses of other inorganic perovskite nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Hierarchical Model-Free Transactional Control of Building Loads to Support Grid Services

A transition from generation on demand to consumption on demand is one of the solutions to overcome the many limitations associated with the higher penetration of renewable energy sources. Such a transition, however, requires a considerable amount of load flexibility in the demand side. Demand response (DR) programs can reveal and utilize this demand flexibility by enabling the participation of a large number of grid-interactive efficient buildings (GEB). Existing approaches on DR require significant modelling or training efforts, are computationally expensive, and do not guarantee the satisfaction of end users. To address the aforementioned limitations, this software code considers a scalable hierarchical model-free transactional control approach that incorporates elements of virtual battery, game theory, and model-free control (MFC) mechanisms. The developed approach separates the control mechanism into upper and lower levels. The MFC modulates the flexible GEB in the lower level with guaranteed thermal comfort of end users in response to the optimal pricing and power signals determined in the upper layer using a Stackelberg game integrated with aggregate virtual battery constraints. Additionally, the usage of MFC necessitates less burdensome computational and communication requirements, thus, it is easily deployable even on small, embedded devices. This software code enables the use of residential and small-size commercial buildings to offer a potentially substantial source of ancillary grid services that are currently underutilized. A hierarchical, model-free transactive building control provides a smooth interface between the grid service requests of utilities and the reliable control required by participating buildings. Model-free control, which supports distributed control architecture, will be a more scalable solution that can be deployed in neighborhood-size systems as well as individual buildings. The proposed approach contributes to the body of knowledge on two main aspects. First, it couples the MFC with the game-theoretic control and proposes a scalable model-free transactive control approach. MFC does not require any modeling effort or model training for the various building loads. This is very beneficial since deriving an accurate model for every single unit participating in DR programs and obtaining all the parameters about the units (e.g., thermal coefficients, standby losses) are infeasible. Also, MFC is computationally efficient, easily deployable even on small, embedded devices, and can be implemented in real time. Second, it integrates the concept of virtual battery into DR via the Stackelberg game. The concept of virtual battery enables efficient coordination and aggregation of a large number of flexible GEB with guaranteed thermal comfort of end users.

Olama, Mohammed [Oak Ridge National Lab. (ORNL), O↗
NASA NTRS1975

Adaptive spacecraft attitude control utilizing eigenaxis rotations

Conventional and adaptive attitude control of spacecraft which use control moment gyros (CMG's) as torque sources are discussed. Control laws predicated on the assumption of a linear system are used since the spacecraft equations of motion are formulated in an 'eigenaxis system' so that they are essentially linear during 'slow' maneuvers even if large angles are involved. The overall control schemes are 'optimal' in several senses. Eigenaxis rotations and a weighted pseudo-inverse CMG steering law are used and, in the adaptive case, a Model Reference Adaptive System (MRAS) controller based on Liapunov's Second Method is adopted. To substantiate the theory, digital simulation results obtained using physical parameters of a Large Space Telescope type spacecraft are presented. These results indicate that an adaptive control law is often desirable.

Cochran, J. E., Jr.↗
NASA NTRS1985

Structural tailoring of engine blades (STAEBL) theoretical manual

This Theoretical Manual includes the theories included in the Structural Tailoring of Engine Blades (STAEBL) computer program which was developed to perform engine fan and compressor blade numerical optimizations. These blade optimizations seek a minimum weight or cost design that satisfies practical blade design constraints, by controlling one to twenty design variables. The STAEBL constraint analyses include blade stresses, vibratory response, flutter, and foreign object damage. Blade design variables include airfoil thickness at several locations, blade chord, and construction variables: hole size for hollow blades, and composite material layup for composite blades.

Brown, K. W.↗
NASA NTRS2019

Numerical Investigation of Roughness Effects on Transition on Spherical Capsules

To address the hitherto unknown mechanism of boundary-layer transition on blunt reentry capsules, the role of roughness-induced disturbance growth on a spherical-section forebody is assessed via optimal transient growth theory and direct numerical simulations (DNS). Optimal transient-growth studies have been performed for the blunt capsule experiments at Mach 5.9 in the Hypersonic Ludwieg tube at the Technische Universität Braunschweig (HLB), which included measurements behind a patch of controlled, distributed micron-sized surface roughness. Transient-growth results for the HLB capsule indicate similar trends as the corresponding numerical data for a Mach 6 experiment in the Actively Controlled Expansion (ACE) facility of the Texas A&M University (TAMU) at a lower Reynolds number. Both configurations indicate a similar dependence on surface temperature ratio and, more important, rather low values of maximum energy gain. DNS are performed for the conditions of the HLB experiment to understand the generation of stationary disturbances by the roughness patch and the accompanying evolution of unsteady perturbations. However, no evidence of either modal or nonmodal disturbance growth in the wake of the roughness patch is found in the DNS data; thus, the physical mechanism underlying the observed onset of transition still remains unknown.

Stefan Hein↗
NASA NTRS1987

Sensitivity, optimal scaling and minimum roundoff errors in flexible structure models

Traditional modeling notions presume the existence of a truth model that relates the input to the output, without advanced knowledge of the input. This has led to the evolution of education and research approaches (including the available control and robustness theories) that treat the modeling and control design as separate problems. The paper explores the subtleties of this presumption that the modeling and control problems are separable. A detailed study of the nature of modeling errors is useful to gain insight into the limitations of traditional control and identification points of view. Modeling errors need not be small but simply appropriate for control design. Furthermore, the modeling and control design processes are inevitably iterative in nature.

Skelton, Robert E.↗
DOE OSTI2026

The emergent photophysics and photochemistry of molecular polaritons: a theoretical and computational investigation (Final Technical Report)

When molecules are placed between closely spaced mirrors, they interact strongly with the photons that are trapped between them, generating new quantum states which are no longer exclusively material nor photonic alone, but rather, coherent superpositions of both. These hybrid states are known as molecular polaritons, given that they arise from the strong interaction between the electric field of light and the electrical polarization of the molecules. Recently, experimental advances in nano‐ and microfabrication of molecular polariton architectures have successfully demonstrated their feasibility to control the rate and outcome of a certain class of chemical reactions in condensed phases. Importantly, these reactions proceed in strongly dissipative environments such as liquid solvents and lossy mirrors that allow for photons to escape from their confinement. The purpose of this research is to formulate quantum mechanical theories and computational tools that can elucidate the origin of these intriguing phenomena and simultaneously predict capabilities that this new generation of molecular materials affords. Attention is placed on harnessing polaritons to carry out photophysics and photochemistry that challenge currently existing paradigms, such as the optimization of energy conversion processes in organic solar cell or light‐emitting devices, or unconventional phenomena such as long‐range excitation energy transfer, remote control of chemical reactions, and a new quantum mechanical regime of chemical reactivity due to wavefunction overlaps amongst a large number of molecular polaritons (Bose condensation). This research explores a frontier of Chemistry and Physics where electrons, vibrations, and photons interact strongly with each other to generate emergent behavior that can be creatively exploited to address contemporary challenges in Basic Energy Sciences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Linear system theory

The aim of this book is to provide a systematic and rigorous access to the main topics of linear state-space system theory in both the continuous-time case and the discrete-time case; and the I/O description of linear systems. The main thrusts of the work are the analysis of system descriptions and derivations of their properties, LQ-optimal control, state feedback and state estimation, and MIMO unity-feedback systems.

Callier, Frank M.↗