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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Benchmarking Adaptive Variational Quantum Eigensolvers

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is indirectly assessed by the value of the associated energy. Novel adaptive derivative-assembled pseudo-trotter (ADAPT) ansatz approaches and recent formal advances now establish a clear connection between the theory of quantum chemistry and the quantum state ansatz used to solve the electronic structure problem. Here we benchmark the accuracy of VQE and ADAPT-VQE to calculate the electronic ground states and potential energy curves for a few selected diatomic molecules, namely H 2 , NaH, and KH. Using numerical simulation, we find both methods provide good estimates of the energy and ground state, but only ADAPT-VQE proves to be robust to particularities in optimization methods. Another relevant finding is that gradient-based optimization is overall more economical and delivers superior performance than analogous simulations carried out with gradient-free optimizers. The results also identify small errors in the prepared state fidelity which show an increasing trend with molecular size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Inverse Biot–Savart Optimization for Superconducting Accelerator Magnets

Superconducting (SC) magnets for accelerator concepts are often synthesized by numerically optimizing magnetic field waveforms, a process that requires a subsequent solution of a constrained inverse problem to identify suitable SC magnet windings. When the desired field distribution is intuitive, the inverse process is facilitated by seeding preconceived coil distributions into design optimization methods for refinement. With more complex magnetic field distributions, an initial design may be unknown, and topology optimization tools are required to synthesize current distributions without a priori guidance from a subject matter expert. In this work, we develop a constrained inverse Biot-Savart topology optimization methodology that synthesizes optimal distributions of current density in racetrack-like SC coils. The problem structure is exploited through a computationally efficient quadratic programming formulation, and the method is applied to recently published magnetic field waveforms for a recirculating proton phase shifter, a proton therapy gantry, and dipole magnets with sharp field transitions. The method and results herein identify novel winding configurations that can help magnet designers bring accelerator concepts to fruition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Improved first order approximation method for structural optimization

This paper examines various first order approximation methods commonly used in structural optimization. It considers several attempts at improving the approximation by using previous analytical results and introduces an adaptation of a first order approximation method using an exponent adjusted to better fit the constraints and reduce the overall number of iterations needed to attain the optimum.

Fadel, Georges M.↗
NASA NTRS1990

Two point exponential approximation method for structural optimization

This paper examines various first order approximation methods commonly used in structural optimization. It considers several attempts at improving the approximation by using previous analytical results and introduces an adaptation of a first order approximation method using an exponent adjusted to better fit the constraints and reduce the overall number of iterations needed to attain the optimum.

Fadel, G. M.↗
DOE OSTI2024

Real-time hybrid controls of energy storage and load shedding for integrated power and energy systems of ships

This paper presents an original energy management methodology to enhance the resilience of ship power systems. The integration of various energy storage systems (ESS), including battery energy storage systems (BESS) and super-capacitor energy storage systems (SCESS), in modern ship power systems poses challenges in designing an efficient energy management system (EMS). The EMS proposed in this paper aims to achieve multiple objectives. The primary objective is to minimize shed loads, while the secondary objective is to effectively manage different types of ESS. Considering the diverse ramp-rate characteristics of generators, SCESS, and BESS, the proposed EMS exploits these differences to determine an optimal long-term schedule for minimizing shed loads. Furthermore, the proposed EMS balances the state-of-charge (SoC) of ESS and prioritizes the SCESS’s SoC levels to ensure the efficient operation of BESS and SCESS. For better computational efficiency, we introduce the receding horizon optimization method, enabling real-time EMS implementation. Further, a comparison with the fixed horizon optimization (FHO) validates its effectiveness. Simulation studies and results demonstrate that the proposed EMS efficiently manages generators, BESS, and SCESS, ensuring system resilience under generation shortages. Additionally, the proposed methodology significantly reduces the computational burden compared to the FHO technique while maintaining acceptable resilience performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Plant-Based Ingredients from the Ocean (CRADA Final Report)

During the LEEP fellowship, our research was focused on optimizing methods to extract protein from red seaweeds to create a protein concentrate that can be used as an ingredient in delicious foods with an emphasis on creating plant-based meat products. We came into the fellowship with a preliminary method for extracting protein from red seaweeds. Over the course of the fellowship, we optimized the bench process, scaled the bench process to pilot scale equipment, and characterized our protein concentrate. The fellowship helped to advance our business in several ways. First, it provided a stipend, additional funding, and lab space to work. This financial aspect provided us with the ability to focus on time to refine our business and technology plan. In its absence, we likely would have pitched for pre-seed money at too early of a stage, before we had mapped out a successful plan. The fellowship helped us to craft and refine our message and our overall company direction. This in turn, helped us to find the right investors that matched our goals, which helped us to close our seed round and move forward. Lastly, the fellowship gave us access to an amazing network, allowing us to learn from the successes and challenges of a variety of startups at various stages of growth.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1998

Preconditioning the Helmholtz Equation for Rigid Ducts

An innovative hyperbolic preconditioning technique is developed for the numerical solution of the Helmholtz equation which governs acoustic propagation in ducts. Two pseudo-time parameters are used to produce an explicit iterative finite difference scheme. This scheme eliminates the large matrix storage requirements normally associated with numerical solutions to the Helmholtz equation. The solution procedure is very fast when compared to other transient and steady methods. Optimization and an error analysis of the preconditioning factors are present. For validation, the method is applied to sound propagation in a 2D semi-infinite hard wall duct.

Baumeister, Kenneth J.↗
NASA NTRS2006

Optimization of Blended Wing Body Composite Panels Using Both NASTRAN and Genetic Algorithm

The blended wing body (BWB) is a concept that has been investigated for improving the performance of transport aircraft. A trade study was conducted by evaluating four regions from a BWB design characterized by three fuselage bays and a 400,000 lb. gross take-off weight (GTW). This report describes the structural optimization of these regions via computational analysis and compares them to the baseline designs of the same construction. The identified regions were simplified for use in the optimization. The regions were represented by flat panels having appropriate classical boundary conditions and uniform force resultants along the panel edges. Panel-edge tractions and internal pressure values applied during the study were those determined by nonlinear NASTRAN analyses. Only one load case was considered in the optimization analysis for each panel region. Optimization was accomplished using both NASTRAN solution 200 and Genetic Algorithm (GA), with constraints imposed on stress, buckling, and minimum thicknesses. The NASTRAN optimization analyses often resulted in infeasible solutions due to violation of the constraints, whereas the GA enforced satisfaction of the constraints and, therefore, always ensured a feasible solution. However, both optimization methods encountered difficulties when the number of design variables was increased. In general, the optimized panels weighed less than the comparable baseline panels.

Lovejoy, Andrew E.↗
NASA NTRS2004

Link Design and Planning for Mars Reconnaissance Orbiter (MRO) Ka-band (32 GHz) Telecom Demonstration

NASA is planning an engineering telemetry demonstration with Mars Reconnaissance Orbiter (MRO). Capabilities of Ka-band (32 GHz) for use with deep space mission are demonstrated using the link optimization algorithms and weather forecasting. Furthermore, based on the performance of previous deep space missions with Ka-band downlink capabilities, experiment plans are developed for telemetry operations during superior solar conjunction. A general overview of the demonstration is given followed by a description of the mission planning during cruise, the primary science mission and superior conjunction. As part of the primary science mission planning the expected data return for various data optimization methods is calculated. These results indicate that, given MRO's data rates, a link optimized to use of at most two data rates, subject to a minimum availability of 90%, performs almost as well as a link with no limits on the number of data rates subject to the same minimum availability.

Ka-band↗
NASA NTRS1996

Aerodynamic Shape Optimization of Supersonic Aircraft Configurations via an Adjoint Formulation on Parallel Computers

This work describes the application of a control theory-based aerodynamic shape optimization method to the problem of supersonic aircraft design. The design process is greatly accelerated through the use of both control theory and a parallel implementation on distributed memory computers. Control theory is employed to derive the adjoint differential equations whose solution allows for the evaluation of design gradient information at a fraction of the computational cost required by previous design methods (13, 12, 44, 38). The resulting problem is then implemented on parallel distributed memory architectures using a domain decomposition approach, an optimized communication schedule, and the MPI (Message Passing Interface) Standard for portability and efficiency. The final result achieves very rapid aerodynamic design based on higher order computational fluid dynamics methods (CFD). In our earlier studies, the serial implementation of this design method (19, 20, 21, 23, 39, 25, 40, 41, 42, 43, 9) was shown to be effective for the optimization of airfoils, wings, wing-bodies, and complex aircraft configurations using both the potential equation and the Euler equations (39, 25). In our most recent paper, the Euler method was extended to treat complete aircraft configurations via a new multiblock implementation. Furthermore, during the same conference, we also presented preliminary results demonstrating that the basic methodology could be ported to distributed memory parallel computing architectures [241. In this paper, our concem will be to demonstrate that the combined power of these new technologies can be used routinely in an industrial design environment by applying it to the case study of the design of typical supersonic transport configurations. A particular difficulty of this test case is posed by the propulsion/airframe integration.

Reuther, James↗
DOE OSTI2022

Optimizing the shape of photometric redshift distributions with clustering cross-correlations

We present an optimization method for the assignment of photometric galaxies to a chosen set of redshift bins. This is achieved by combining simulated annealing, an optimization algorithm inspired by solid-state physics, with an unsupervised machine learning method, a self-organizing map (SOM) of the observed colours of galaxies. Starting with a sample of galaxies that is divided into redshift bins based on a photometric redshift point estimate, the simulated annealing algorithm repeatedly reassigns SOM-selected subsamples of galaxies, which are close in colour, to alternative redshift bins. We optimize the clustering cross-correlation signal between photometric galaxies and a reference sample of galaxies with well-calibrated redshifts. Depending on the effect on the clustering signal, the reassignment is either accepted or rejected. By dynamically increasing the resolution of the SOM, the algorithm eventually converges to a solution that minimizes the number of mismatched galaxies in each tomographic redshift bin and thus improves the compactness of their corresponding redshift distribution. This method is demonstrated on the synthetic Legacy Survey of Space and Time cosmoDC2 catalogue. We find a significant decrease in the fraction of catastrophic outliers in the redshift distribution in all tomographic bins, most notably in the highest redshift bin with a decrease in the outlier fraction from 57 percent to 16 percent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory

Compressed multistate pair-density functional theory (CMS-PDFT) is a multistate version of multiconfiguration pair-density functional theory that can capture the correct topology of coupled potential energy surfaces (PESs) around conical intersections. Here, in this work, we develop interstate coupling vectors (ISCs) for CMS-PDFT in the OpenMolcas and PySCF/mrh electronic structure packages. Yet, the main focus of this work is using ISCs to calculate minimum-energy conical intersections (MECIs) by CMS-PDFT. This is performed using the projected constrained optimization method in OpenMolcas, which uses ISCs to restrain the iterations to the conical intersection seam. We optimize the S 1 /S 0 MECIs for ethylene, butadiene, and benzene and show that CMS-PDFT gives smooth PESs in the vicinities of the MECIs. Furthermore, the CMS-PDFT MECIs are in good agreement with the MECI calculated by the more expensive XMS-CASPT2 method.

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

A minimum assumption approach to MEG sensor array design

Objective. Our objective is to formulate the problem of the magnetoencephalographic (MEG) sensor array design as a well-posed engineering problem of accurately measuring the neuronal magnetic fields. This is in contrast to the traditional approach that formulates the sensor array design problem in terms of neurobiological interpretability the sensor array measurements. Approach. We use the vector spherical harmonics (VSH) formalism to define a figure-of-merit for an MEG sensor array. We start with an observation that, under certain reasonable assumptions, any array of m perfectly noiseless sensors will attain exactly the same performance, regardless of the sensors' locations and orientations (with the exception of a negligible set of singularly bad sensor configurations). We proceed to the conclusion that under the aforementioned assumptions, the only difference between different array configurations is the effect of (sensor) noise on their performance. We then propose a figure-of-merit that quantifies, with a single number, how much the sensor array in question amplifies the sensor noise. Main results. We derive a formula for intuitively meaningful, yet mathematically rigorous figure-of-merit that summarizes how desirable a particular sensor array design is. We demonstrate that this figure-of-merit is well-behaved enough to be used as a cost function for a general-purpose nonlinear optimization methods such as simulated annealing. We also show that sensor array configurations obtained by such optimizations exhibit properties that are typically expected of 'high-quality' MEG sensor arrays, e.g. high channel information capacity. Significance. Our work paves the way toward designing better MEG sensor arrays by isolating the engineering problem of measuring the neuromagnetic fields out of the bigger problem of studying brain function through neuromagnetic measurements.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1989

Structural damage assessment as an identification problem

Damage assessment of structural assemblies is treated as an identification problem. A brief review of identification methods is first presented with particular focus on the output error approach. The use of numerical optimization methods in identifying the location and extent of damage in structures is studied. The influence of damage on eigenmode shapes and static displacements is explored as a means of formulating a measure of damage in the structure. Preliminary results obtained in this study are presented and special attention is directed at the shortcomings associated with the nonlinear programming approach to solving the optimization problem.

Hajela, Prabhat↗
DOE OSTI2016

An optimized treatment for algorithmic differentiation of an important glaciological fixed-point problem

We apply an optimized method to the adjoint generation of a time-evolving land ice model through algorithmic differentiation (AD). The optimization involves a special treatment of the fixed-point iteration required to solve the nonlinear stress balance, which differs from a straightforward application of AD software, and leads to smaller memory requirements and in some cases shorter computation times of the adjoint. The optimization is done via implementation of the algorithm of Christianson (1994) for reverse accumulation of fixed-point problems, with the AD tool OpenAD. For test problems, the optimized adjoint is shown to have far lower memory requirements, potentially enabling larger problem sizes on memory-limited machines. In the case of the land ice model, implementation of the algorithm allows further optimization by having the adjoint model solve a sequence of linear systems with identical (as opposed to varying) matrices, greatly improving performance. Finally, the methods introduced here will be of value to other efforts applying AD tools to ice models, particularly ones which solve a hybrid shallow ice/shallow shelf approximation to the Stokes equations.

58 GEOSCIENCES↗