Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Computational optimization”

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.

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

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized eigenvalue problems through the Unitary Coupled Cluster (UCC) excitation generators. Inspired by the generator coordinate method, we employ these UCC excitation generators to construct non-orthogonal, overcomplete many-body bases, projecting the system Hamiltonian into an effective Hamiltonian, which bypasses issues such as barren plateaus that heuristic numerical minimizers often encountered in standard variational quantum eigensolver (VQE). Diverging from conventional quantum subspace expansion methods, we introduce an adaptive scheme that robustly constructs the many-body basis sets from a pool of the UCC excitation generators. This scheme supports the development of a hierarchical ADAPT quantum-classical strategy, enabling a balanced interplay between subspace expansion and ansatz optimization to address complex, strongly correlated quantum chemical systems cost-effectively, setting the stage for more advanced quantum simulations in chemistry.

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

Computation-guided optimization of split protein systems

Splitting bioactive proteins into conditionally reconstituting fragments is a powerful strategy for building tools to study and control biological systems. However, split proteins often exhibit a high propensity to reconstitute, even without the conditional trigger, limiting their utility. Current approaches for tuning reconstitution propensity are laborious, context-specific or often ineffective. Here, we report a computational design strategy grounded in fundamental protein biophysics to guide experimental evaluation of a sparse set of mutants to identify an optimal functional window. We hypothesized that testing a limited set of mutants would direct subsequent mutagenesis efforts by predicting desirable mutant combinations from a vast mutational landscape. This strategy varies the degree of interfacial destabilization while preserving stability and catalytic activity. We validate our method by solving two distinct split protein design challenges, generating both design and mechanistic insights. Furthermore, this new technology will streamline the generation and use of split protein systems for diverse applications.

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

Multi-tool optimization for computer controlled optical surfacing

With the rapid development of precision technologies, the demand of high-precision optical surfaces has drastically increased. These optical surfaces are mainly fabricated with computer controlled optical surfacing (CCOS). In a CCOS process, a target surface removal profile is achieved by scheduling the dwell time for a set of machine tools. The optimized dwell time should be positive and smooth to ensure convergence to the target while considering CNC dynamics. The total run time of each machine tool is also expected to be balanced to improve the overall processing efficiency. In the past few decades, dwell time optimization for a single machine tool has been extensively developed. While the methods are applicable to multi-tool scenarios, they fail to consider the overall contributions of multiple tools simultaneously. In this paper, we conduct a systematic study on the strategies for multi-tool dwell time optimization and propose an innovative method for simultaneously scheduling dwell time for multiple tools for the first time. First, the influential factors to the positiveness and smoothness of dwell time solutions for a single machine tool are analyzed. The compensation strategies that minimize the residual while considering the CNC dynamics limit are then proposed. Afterwards, these strategies are extended to the proposed multi-tool optimization that further balances the run time of machine tools. Finally, the superiority of each strategy is carefully studied via simulation and experiment. The experiment is performed by bonnet polishing a 60 mm × 60 mm mirror with three tools of different diameters ( i.e., 12 mm, 8 mm, and 5 mm). The figure error of the mirror is reduced from 45.42 nm to 11.18 nm root mean square in 13.28 min. Moreover, the measured polishing result well coincides with the estimation, which proves the effectiveness of the proposed method.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Computationally efficient optimization models for preliminary distillation column design and separation energy targeting

We propose versatile shortcut distillation column and separation energy targeting models that are well-suited for superstructure-based process synthesis. The models are based on a novel reformulation of the Underwood equations to address systems where the components that are present in the feed can vary due to zero flow rates of some components. Also, we propose valid constraints, resulting in a significant enhancement of the computational performance of the models. Furthermore, the proposed distillation column model can automatically identify adequate key components and the energy requirement of a desired separation task, while considering a wide range of types of separations including non-sharp/sloppy splits. Also, the proposed separation energy targeting model can be used to estimate an energy requirement target for the separation of a mixture without finding detail network configurations. Due to their versatility and computational efficiency, the proposed models can be readily used for and expand the scope of superstructure-based process synthesis approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Aeroelastic, CFD, and Dynamics Computation and Optimization for Buffet and Flutter Applications

Accomplishments achieved during the reporting period are listed. These accomplishments included 6 papers published in various journals or presented at various conferences; 1 abstract submitted to a technical conference; production of 2 animated movies; and a proposal for use of the National Aerodynamic Simulation Facility at NASA Ames Research Center for further research. The published and presented papers and animated movies addressed the following topics: aeroelasticity, computational fluid dynamics, structural dynamics, wing and tail buffet, vortical flow interactions, and delta wings.

Kandil, Osama A.↗
NASA NTRS2019

Efficient computation of optimal low thrust gravity perturbed orbit transfers

We have developed a new method for solving low-thrust fuel-optimal orbit transfer problems in the vicinity of a large body (planet or asteroid), considering a high-fidelity spherical harmonic gravity model. The algorithm is formulated via the indirect optimization method, leading to a two-point boundary value problem (TPBVP). We make use of a hyperbolic tangent smoothing law for performing continuation on the thrust magnitude to reduce the sharpness of the control switches in early iterations and thus promote convergence. The TPBVP is solved using the method of particular solutions (MPS) shooting method and Picard-Chebyshev numerical integration. Application of Picard-Chebyshev integration affords an avenue for increased efficiency that is not available with step-by-step integrators. We demonstrate that computing the particular solutions with only a low-fidelity force model greatly increases the efficiency of the algorithm while ultimately achieving near machine precision accuracy. A salient feature of the MPS is that it is parallelizable, and thus further speedups are available. It is also shown that, for near Earth orbits and over a small number of en-route revolutions around the Earth, only the zonal perturbation terms are required in the costate equations to obtain a solution that is accurate to machine precision and optimal to engineering precision. The proposed framework can be used for trajectory design around small asteroids and also for orbit debris rendezvous and removal tasks.

Junkins, John L.↗
NASA NTRS1972

The computation of optimal control programmes using a modified successive sweep method.

A second-order method for numerically solving control optimization problems has been developed. The method, referred to as the modified sweep method (MSM), differs from the successive sweep method (SSM) proposed by McReynolds and Bryson (1965) in that the conditions for local control optimality are used to determine the control as an explicit function of the state variables and time. The control is eliminated from the problem and the solution to the resulting two-point boundary value problem can be obtained by linear perturbation methods. The modified sweep method proposed here uncouples the perturbation equations for the state variables and the Lagrange multipliers by using a generalized matrix-Riccati transformation of variables. The resulting algorithm for the numerical iteration process is concerned with determining the initial values of a set of Lagrange multipliers rather than correcting a numerical control programme over the entire time interval of interest.

Colunga, D.↗
NASA NTRS1972

Computation of optimal output-feedback compensators for linear time-invariant systems

The control of linear time-invariant systems with respect to a quadratic performance criterion was considered, subject to the constraint that the control vector be a constant linear transformation of the output vector. The optimal feedback matrix, f*, was selected to optimize the expected performance, given the covariance of the initial state. It is first shown that the expected performance criterion can be expressed as the ratio of two multinomials in the element of f. This expression provides the basis for a feasible method of determining f* in the case of single-input single-output systems. A number of iterative algorithms are then proposed for the calculation of f* for multiple input-output systems. For two of these, monotone convergence is proved, but they involve the solution of nonlinear matrix equations at each iteration. Another is proposed involving the solution of Lyapunov equations at each iteration, and the gradual increase of the magnitude of a penalty function. Experience with this algorithm will be needed to determine whether or not it does, indeed, possess desirable convergence properties, and whether it can be used to determine the globally optimal f*.

Platzman, L. K.↗
NASA NTRS1983

Computation of optimal feedback strategies for interception in a horizontal plane

The problem of minimum-time interception of a target moving in a horizontal plane is studied. The target may fly a trajectory that is known at the start of the interception or try to evade the intercepting aircraft. The interceptor's optimal motion is described independently of the target in terms of an extremal trajectory map. The latter is used to develop guidelines for suboptimal approximations to the extremals. A method of constructing the feedback solution by drawing isochrones (constant minimum-time loci) is developed. Sections of the feedback solution for the interception of a straight-flying target are presented, and the construction of an isochrone for the interception of an actively evading target is demonstrated.

Rajan, N.↗