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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 199 records · Page 11

A General Purpose Real-Time Optimization Strategy Applied to Minimizing Simultaneous Heating and Cooling in Buildings

Supervisory control strategies in heating, ventilating, and air-conditioning (HVAC) systems hold the potential for significant energy savings but they are difficult to set up and often depend on unreliable sensor measurements. In this paper, we propose a sensor-free approach to minimizing the energy penalties due to simultaneous heating and cooling in variable-air-volume (VAV) systems with reheat. A general-purpose real-time optimizer is described that is easy to set-up and integrate with existing control logic. A cost function is derived that quantifies the simultaneous heating and cooling penalty that does not require any sensor measurements. The optimizer then minimizes this cost function by automatically adjusting the supply temperature setpoint in the air-handling unit. The paper describes the approach and shows results from application from field trials on a 27-zone building.

Salsbury, Timothy↗

A novel multireceiver communications system configuration based on optimal estimation theory

A multireceiver configuration for the purpose of carrier arraying and/or signal arraying is presented. Such a problem arises for example, in the NASA Deep Space Network where the same data-modulated signal from a spacecraft is received by a number of geographically separated antennas and the data detection must be efficiently performed on the basis of the various received signals. The proposed configuration is arrived at by formulating the carrier and/or signal arraying problem as an optimal estimation problem. Two specific solutions are proposed. The first solution is to simultaneously and optimally estimate the various phase processes received at different receivers with coupled phase locked loops (PLLs) wherein the individual PLLs acquire and track their respective receivers' phase processes, but are aided by each other in an optimal manner. However, when the phase processes are relatively weakly correlated, and for the case of relatively high values of symbol energy-to-noise spectral density ratio, a novel configuration for combining the data modulated, loop-output signals is proposed. The scheme can be extended to the case of low symbol energy-to-noise case by performing the combining/detection process over a multisymbol period. Such a configuration results in the minimization of the effective radio loss at the combiner output, and thus a maximization of energy per bit to noise-power spectral density ration is achieved.

Kumar, R.↗

Optimal large angle maneuvers with simultaneous shape control/vibration arrest

A relaxation method is demonstrated which reliably solves the nonlinear two point boundary value problem which arises when optimal control theory is applied to determination of large angle maneuvers of flexible spacecraft. The basic ideas are summarized and several idealized maneuvers are determined. The emphasis is upon demonstrating the basic ideas and practical aspects of the methodology.

Turner, J. D.↗

Noise constraints effecting optimal propeller designs

A preliminary design tool for advanced propellers was developed combining a fast vortex lattice aerodynamic analysis, a fast subsonic point source noise analysis, and an optimization scheme using a conjugate directions method. Twist, chord and sweep distributions are optimized to simultaneously improve both the aerodynamic performance and the noise observed at a fixed relative position. The optimal noise/performance tradeoffs for straight and advanced concept blades are presented. The techniques used include increasing the blade number, blade sweep, reducing the rotational speed, shifting the spanwise loading and diameter changes.

Miller, C. J.↗

Noise constraints effecting optimal propeller designs

A preliminary design tool for advanced propellers was developed combining a fast vortex lattice aerodynamic analysis, a fast subsonic point source noise analysis, and an optimization scheme using a conjugate directions method. Twist, chord and sweep distributions are optimized to simultaneously improve both the aerodynamic performance and the noise observed at a fixed relative position. The optimal noise/performance tradeoffs for straight and advanced concept blades are presented. The techniques used include increasing the blade number, blade sweep, reducing the rotational speed, shifting the spanwise loading and diameter changes.

Miller, C. J.↗

Modeling plasticity-mediated void growth at the single crystal scale: A physics-informed machine learning approach

Modeling the evolution of voids during plastic flow as well as their effects on plastic dissipation is critical for both component manufacturing and lifetime estimation purposes. To this end, we propose a rate-dependent constitutive model to homogenize the effects of semi-randomly distributed voids on single crystal plasticity whilst capturing void interaction and plastic anisotropy. Here, this present work focuses on the case of face centered cubic crystals to introduce an anisotropic gauge function applicable within the crystal plasticity formalism. The approach combines analytical methods to describe the micromechanics of the system in combination with symbolic regression to capture analytically intractable mechanisms from data. The hybrid framework uses a physics-informed genetic programming-based symbolic regression algorithm to solve a multiform optimization problem simultaneously producing a new gauge function and a new strain rate equation. This is also a multi-objective optimization problem with many competing objectives. A new search and selection step is introduced to the genetic algorithm that promotes convergence toward a global solution that better satisfies all the objectives. Overall, the symbolic equations produced leverage data-driven methods to achieve greater accuracy than comparable alternatives on an analytically intractable problem while maintaining model transparency.

36 MATERIALS SCIENCE↗

Digital alloy contact layers for perovskite solar cells

Thin film optoelectronic devices commonly require an individual material to perform multiple functions, but the physical properties of single-composition materials often cannot be tuned to optimize these diverse requirements. The electron selective contact layer in perovskite solar cells is a prime example. The material must simultaneously have optimal conduction band alignment, facilitate carrier extraction, prevent recombination, and provide a chemically stable interface with the notoriously volatile perovskite semiconductor. The pulse-by-pulse nature of the thin-film deposition method pulsed laser deposition (PLD) provides an opportunity to form material alloys where the chemical composition is controlled at the nanometer scale. These digital alloys may prove to be a powerful materials class to meet some of the multifunctional needs of thin film devices. Using PLD to make electron transport layers from ZnO and MgZnO targets, we demonstrate in this paper that digital alloy gradients can be tuned to significantly outperform either of the parent materials in perovskite solar cells.

36 MATERIALS SCIENCE↗

ELISA: A Tool for Optimization of Rotor Hover Performance at Low Reynolds Number in the Mars Atmosphere

The Evolutionary aLgorithm for Iterative Studies of Aeromechanics (ELISA) was developed in support of the Rotorcraft Optimization for the Advancement of Mars eXploration (ROAMX) project. ELISA was developed to enable aerodynamic rotor hover optimization for low Reynolds number flows in the Mars atmosphere. The first objective of the algorithm allows for unconventional airfoil parameterization and multi-objective airfoil geometry optimization using OVERFLOW. The Pareto-optimal airfoil sets are converted to a set of Pareto-optimal airfoil decks, providing the lowest drag air foil geometry for each angle of attack, removing the need to arbitrarily select the airfoils to be used in the rotor optimization. The second objective allows for rotor geometry optimization with simultaneous maximization of blade loading and minimization of rotor power using the comprehensive analysis CAMRADII. The result is a Pareto-optimal rotor set, providing the lowest power rotor for each attainable blade loading, and one of the first tools for hover-optimized rotors for high-subsonic low Reynolds number conditions. The airfoil thickness can be modified after the airfoil optimization is complete, allowing for a post-airfoil-optimization adjustment of blade thickness to facilitate conforming to external structural analyses requirements. The relevance of the code is demonstrated with case studies for the ROAMX rotor optimization for Ingenuity-sized single rotors in the Mars atmosphere, a performance study optimizing the chord and twist of Ingenuity’s coaxial rotor resulting in the Sample Recovery Helicopters candidate rotor, and high-subsonic low Reynolds number airfoil optimization providing novel insights for higher-efficiency low Reynolds number airfoil geometries and flow physics.

ELISA↗

Holistic fleet optimization incorporating system design considerations

The methodology described in this article enables a type of holistic fleet optimization that simultaneously considers the composition and activity of a fleet through time as well as the design of individual systems within the fleet. Often, real-world system design optimization and fleet-level acquisition optimization are treated separately due to the prohibitive scale and complexity of each problem. Importantly, this means that fleet-level schedules are typically limited to the inclusion of predefined system configurations and are blind to a rich spectrum of system design alternatives. Similarly, system design optimization often considers a system in isolation from the fleet and is blind to numerous, complex portfolio-level considerations. In reality, these two problems are highly interconnected. To properly address this system-fleet design interdependence, we present a general method for efficiently incorporating multi-objective system design trade-off information into a mixed-integer linear programming (MILP) fleet-level optimization. This work is motivated by the authors' experience with large-scale DOD acquisition portfolios. However, the methodology is general to any application where the fleet-level problem is a MILP and there exists at least one system having a design trade space in which two or more design objectives are parameters in the fleet-level MILP.

97 MATHEMATICS AND COMPUTING↗

Optimizing the sextupole configuration for simultaneous correction of third order resonances at the recycler ring

For the Recycler Ring at Fermilab, space charge tune shifts of almost 0.1 will have to be dealt with under the Proton Improvement Plan (PIP-II) framework. This will lead to the excitation of third order resonances. The minimization of Resonance Driving Terms (RDTs) allows to mitigate the harmful effect of these betatron resonances. Past work has shown that previously-installed sextupoles can compensate the RDTs of individual third order resonance lines, thus reducing particle losses in these operational regimes. Nevertheless, trying to compensate multiple resonances of the same order simultaneously with these existing sextupoles is limited due to current constraints in the magnets. The following study showcases the procedure to install additional sextupoles in order to aid the compensation of multiple resonances. This includes the optimization of the new sextupoles' locations in order to cancel out multiple RDTs while minimizing the currents needed. This is followed by a verification of their effectiveness by means of the RDT response matrix.

43 PARTICLE ACCELERATORS↗

An Enhanced Multi-Objective Optimization Technique for Comprehensive Aerospace Design

An enhanced multiobjective formulation technique, capable of emphasizing specific objective functions during the optimization process, has been demonstrated on a complex multidisciplinary design application. The Kreisselmeier-Steinhauser (K-S) function approach, which has been used successfully in a variety of multiobjective optimization problems, has been modified using weight factors which enables the designer to emphasize specific design objectives during the optimization process. The technique has been implemented in two distinctively different problems. The first is a classical three bar truss problem and the second is a high-speed aircraft (a doubly swept wing-body configuration) application in which the multiobjective optimization procedure simultaneously minimizes the sonic boom and the drag-to-lift ratio (C(sub D)/C(sub L)) of the aircraft while maintaining the lift coefficient within prescribed limits. The results are compared with those of an equally weighted K-S multiobjective optimization. Results demonstrate the effectiveness of the enhanced multiobjective optimization procedure.

Chattopadhyay, Aditi↗

Innovations in optimization and control of accelerators using methods of differential geometry and genetic algorithms (Final Report)

Online tuning of particle accelerators is necessary in order to achieve optimal machine performance. However, it is also a major challenge due to the large parameter space which must be searched and the fact that many of the desir- able objectives compete with one another, and so will not reach their optimal values simultaneously. In order to mitigate these issues, we have explored using dimension-reduction techniques to reduce the size of the parameter space which must be searched and multi-objective genetic algorithms to obtain the sets of tuning parameters which provide pareto-optimal values for the objectives. These methods have enabled us to obtain improved values of the vertical emittance at the Cornell Electron Storage Ring (CESR), and to do so with greater control of orbit errors. Algorithmic tuning is a multidisciplinary endeavour, requiring expertise in beam dynamics, diagnostics, control systems and computer science, and thus a key practical problem is to formulate a common language in which experts with different specialties can communicate. We developed a solution to this problem in the form of a generic accelerator software interface that allows for rapid prototyping of optimization and control algorithms. Our interface is built on the Experimental Physics and Industrial Control Systems (EPICS) and makes possible testing control code in simulation before deployment on real accelerators, as well as deployment of third-party optimization code.

43 PARTICLE ACCELERATORS↗

Development of a Multiobjective Optimization Procedure for Sonic Boom Minimization

A design optimization procedure for improved sonic boom and aerodynamic performance of high speed aircraft is presented. The multiobjective optimization procedure simultaneously minimizes the sonic boom at a given distance from the aircraft and the drag-to-lift ratio (C(sub D)/C(sub L)) Of the aircraft. Upper and lower bounds are also imposed on the lift coefficient. The Kreisselmeier - Steinhauser function is used for the multiobjective optimization formulation. A discrete semi-analytical aerodynamic sensitivity analysis procedure coupled with an analytical grid sensitivity analysis technique is used for evaluating design sensitivities. The use of the semi-analytical sensitivity analysis techniques results in significant computational savings. The flow equations are solved using a three-dimensional parabolized Navier-Stokes solver. Sonic boom analysis is performed using an extrapolation procedure. A nonlinear programming technique and an approximate analysis procedure are used for the optimization. The optimization procedure developed is applied to the design of two high speed configurations, namely, a doubly swept wing-body configuration and a delta wing-body configuration. For the two sweep case only, minimization of the first peak in the pressure signature is performed first by optimizing only the nose radius and length of the aircraft. Minimization of the second peak in the pressure signature is performed next by optimizing only the wing geometric parameters. Significant improvements are obtained in the sonic boom characteristics and the aerodynamic performance of the wing-body configurations.

Narayan, J. R.↗

Superstructure Optimization for Brine Valorization from Brackish Water Desalination

This poster presents preliminary results from a superstructure optimization framework developed to identify cost-optimal brine valorization configurations for brackish water desalination plants across diverse U.S. regional feed chemistries. The study uses brackish groundwater compositions from Arizona, California, Florida, New Mexico, and Texas. Using Pyomo Generalized Disjunctive Programming (GDP) within the WaterTAP modeling environment, the optimization framework simultaneously evaluates thousands of candidate treatment configurations, spanning nanofiltration, reverse osmosis, and chemical precipitation, to minimize the levelized cost of water (LCOW) while meeting water recovery targets and product recovery constraints. Results across eight representative feed clusters demonstrate water recovery rates of 57–87% and net LCOW values ranging from -$0.032/m³ (net revenue-positive) to $0.80/m. Notably, no single process configuration was optimal across all feed types, underscoring the necessity of feed-specific optimization. Products targeted include calcium carbonate (CaCO₃) at $0.01/kg and sodium chloride (NaCl) at $0.10/kg, both at 95% purity, with product revenues offsetting treatment costs in several scenarios. The work advances NAWI's process systems engineering capabilities for multi-configuration screening.

58 GEOSCIENCES↗

Network-Level Optimization for Unbalanced Power Distribution System: Approximation and Relaxation

The nonlinear programming (NLP) problem to solve distribution-level optimal power flow (D-OPF) poses convergence issues and does not scale well for unbalanced distribution systems. The existing scalable D-OPF algorithms either use approximations that are not valid for an unbalanced power distribution system, or apply relaxation techniques to the nonlinear power flow equations that do not guarantee a feasible power flow solution. In this paper, we propose scalable D-OPF algorithms that simultaneously achieve optimal and feasible solutions by solving multiple iterations of approximate, or relaxed, D-OPF subproblems of low complexity. The first algorithm is based on a successive linear approximation of the nonlinear power flow equations around the current operating point, where the D-OPF solution is obtained by solving multiple iterations of a linear programming (LP) problem. The second algorithm is based on the relaxation of the nonlinear power flow equations as conic constraints together with directional constraints, which achieves optimal and feasible solutions over multiple iterations of a second-order cone programming (SOCP) problem. Finally, it is demonstrated that the proposed algorithms are able to reach an optimal and feasible solution while significantly reducing the computation time as compared to an equivalent NLPD-OPF model for the same distribution system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗

Online multi-objective particle accelerator optimization of the AWAKE electron beam line for simultaneous emittance and orbit control

Multi-objective optimization is important for particle accelerators where various competing objectives must be satisfied routinely such as, for example, transverse emittance vs bunch length. We develop and demonstrate an online multi-time scale multi-objective optimization algorithm that performs real time feedback on particle accelerators. We demonstrate the ability to simultaneously minimize the emittance and maintain a reference trajectory of a beam in the electron beamline in CERN’s Advanced Proton Driven Plasma Wakefield Acceleration Experiment.

43 PARTICLE ACCELERATORS↗