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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 1,441 records · Page 80

IBM Open Science Price - SWAP Gate Challenge

On November 30, 2020, IBM announced an open science price competition aimed at improving the fidelity of a SWAP gate on their 7 qubit Quantum system named ”Casablanca”. The details of the SWAP gate problem was outlined in a Jupyter notebook, which utilizes the IBM developed open source package Qiskit. The participants were allowed to work in teams with up to five people and restricted to only use open source software in solving the problem. Their results were due on April 16, 2021. Our approach to solving the SWAP gate challenge is based on the quantum optimal control techniques implemented in our open source packages Juqbox.jl and Quandary. The results from the optimal control approach is only as good as the accuracy in the description of the quantum system dynamics, characterized by a Hamiltonian model that was provided by IBM. Based on the calibrated control pulses IBM provide for the standard gate set, we developed a reverse engineering approach to calibrate our computational model. Techniques were developed to translate between Qiskit’s pulse representation and the B-spline formulation used in Juqbox and Quandary. The fidelity of the optimized pulse sequences were estimated using Qiskit’s randomized bench marking techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Building a Computational and Experimental Rapid Response Pipeline to Counter the Coronavirus Disease 2019 Outbreak and Emerging Biothreats

The COVID-19 pandemic underscored the promise of monoclonal antibody-based prophylactic and therapeutic drugs, especially where protective candidates can be rapidly identified or developed for emerging biothreats and escape variants. Current cutting-edge technologies for this purpose still rely on pathogen-exposed convalescent volunteers and a large screening effort to find a proverbial needle in a haystack. Computational design of protective antibodies based on pre-existing templates skips those requirements and allows for greater control over the breadth and target epitope, while also co-optimizing for potency and developability or other biophysical characteristics. We approached this problem by building and expanding an in vitro experimental rapid antibody production and characterization pipeline to support development of an autonomous, closed loop, active learning software system based on structural simulation and ground truth experimental data to design and evaluate antibody antigen interactions. Starting from early in the pandemic, we targeted SARS-CoV-2, the causative agent of COVID-19, by re-purposing neutralizing antibodies against SARS-CoV-1 that had been identified in the wake of that outbreak in the early 2000’s. We successfully re-targeted three different anti-SARS-CoV-1 antibodies to neutralize SARS-CoV-2 in vitro, where the antibodies were generated externally and tested through conventional binding and neutralization assays internally or with collaborators. As antibodies were identified from the blood of humans infected with SARS-CoV-2, we shifted to collaborate with academic partners to develop improved versions of their human-derived antibodies. This work reached its most important stage in rapid response to the emergence of the Omicron variant of concern (VOC) in late 2021. In a matter of weeks, enabled by on demand innovation to our screening pipeline, we computationally designed and experimentally characterized derivative antibodies of COV2-2130, one of two antibodies from Vanderbilt that form the basis of the AstraZeneca Evusheld prophylactic drug product. This drug product suffers a serious loss of efficacy against Omicron BA.1 and BA.1.1, the first Omicron strains. Due to tight integration of computational design and experimental evaluation, we were able to identify a pair of designs with potent neutralization of the main targets Omicron BA.1 and BA.1.1; but also the earlier Delta variant, and subsequent Omicron strains including BA.2, BA.4, BA.5, and BA.2.75, demonstrating that our multi-target design process can, by its nature, produce robust antibody designs that strictly improve over the parental antibody. These results, recognized by a 2022 Director’s Science and Technology award, have enabled the follow-on GUIDE program, to commence in FY23. While earlier design campaigns were substantially outsourced, we have engineered better and faster processes internally to better compliment, calibrate, and speed computational designs. As part of the follow-on GUIDE program, we will stand up a rapid and high-throughput antibody production and characterization facility staffed with the expertise and capabilities to foster our current collaboration across PLS and ENG as well as other partnerships toward computational design of biologics.

59 BASIC BIOLOGICAL SCIENCES↗

A nonlinear programming approach for optimizing two-stage lifting vehicle ascent to orbit

An optimal atmospheric flight branched trajectory-shaping capability is presented based on the Davidon-Fletcher-Powell variable metric parameter optimization technique. Gradient information is generated using finite difference methods. A typical atmospheric flight branched optimization problem is analyzed which requires the determination of 31 parameters. This parameter set includes the three-dimensional description of vehicle attitude control angles for three branches of flight: first-stage ascent, second-stage ascent, and first-stage flyback. The important inflight inequality contraints required to maintain the integrity of the vehicles are considered. Some of the numerical methods employed are discussed, along with several new auxiliary techniques developed to improve the compatibility of the numerical gradient and iterator.

Kamm, J. L.↗

Approximation of feedback controls for parabolic systems

An approximation framework is presented for computation (in finite dimensional spaces) of Riccati operators that can be guaranteed to converge to the Riccati operator in feedback controls for abstract evolution systems in a Hilbert space. It is indicated how these results may be used in the linear optimal regulator problem for a large class of parabolic systems.

Banks, H. T.↗

Optimal control concepts in design sensitivity analysis

A close link is established between open loop optimal control theory and optimal design by noting certain similarities in the gradient calculations. The resulting benefits include a unified approach, together with physical insights in design sensitivity analysis, and an efficient approach for simultaneous optimal control and design. Both matrix displacement and matrix force methods are considered, and results are presented for dynamic systems, structures, and elasticity problems.

Belegundu, Ashok D.↗

Research on output feedback control

A summary is presented of the main results obtained during the course of research on output feedback control. The term output feedback is used to denote a controller design approach which does not rely on an observer to estimate the states of the system. Thus, the order of the controller is fixed, and can even be zero order, which amounts to constant gain ouput feedback. The emphasis has been on optimal output feedback. That is, a fixed order controller is designed based on minimizing a suitably chosen quadratic performance index. A number of problem areas that arise in this context have been addressed. These include developing suitable methods for selecting an index of performance, both time domain and frequency domain methods for achieving robustness of the closed loop system, developing canonical forms to achieve a minimal parameterization for the controller, two time scale design formulations for ill-conditioned systems, and the development of convergent numerical algorithms for solving the output feedback problem.

Calise, Anthony J.↗

PFERD Mission: Pluto Flyby Exploration/Research Design

The Pluto Flyby Exploration/Research Design (PFERD) mission will consist of a flyby spacecraft to Pluto and its satellite, Charon. The mission lifetime is expected to be 18 years. The Titan 4 with a Centaur upper stage will be utilized to launch the craft into the transfer orbit. The proposal was divided into six main subsystems: (1) scientific instrumentation; (2) command, communications, and control: (3) altitude and articulation control; (4) power and propulsion; (5) structures and thermal control; and (6) mission management and costing. Tradeoff studies were performed to optimize all factors of design, including survivability, performance, cost, and weight. Problems encountered in the design are also presented.

Lemke, Gary↗

Robust Assignment Of Eigensystems For Flexible Structures

Improved method for placement of eigenvalues and eigenvectors of closed-loop control system by use of either state or output feedback. Applied to reduced-order finite-element mathematical model of NASA's MAST truss beam structure. Model represents deployer/retractor assembly, inertial properties of Space Shuttle, and rigid platforms for allocation of sensors and actuators. Algorithm formulated in real arithmetic for efficient implementation. Choice of open-loop eigenvector matrix and its closest unitary matrix believed suitable for generating well-conditioned eigensystem with small control gains. Implication of this approach is that element of iterative search for "optimal" unitary matrix appears unnecessary in practice for many test problems.

Juang, Jer-Nan↗

The isolation limits of stochastic vibration

The vibration isolation problem is formulated as a 1D kinematic problem. The geometry of the stochastic wall trajectories arising from the stroke constraint is defined in terms of their significant extrema. An optimal control solution for the minimum acceleration return path determines a lower bound on platform mean square acceleration. This bound is expressed in terms of the probability density function on the significant maxima and the conditional fourth moment of the first passage time inverse. The first of these is found analytically while the second is found using a Monte Carlo simulation. The rms acceleration lower bound as a function of available space is then determined through numerical quadrature.

Knopse, C. R.↗

Future of Fuel Savings

Using automation to free up controllers for more strategic management of air traffic is one approach being studied by NASA as it seeks to boost airspace system capacity and efficiency, thereby saving fuel. Heinz Erzberger, a NASA Ames Research Center senior scientist, says the Advanced Airspace Concept (AAC) has been studied for several years. It could increase efficiency 15% by providing optimal routes that cut airlines direct operating costs. A 25% increase in landings on existing runways could follow an important benefit. AAC is one of the efforts to be reviewed by the Joint Planning and Development Organization, an FAA-led initiative by six federal agencies to redesign the U.S. air transportation system by 2025. The main goal is to triple air traffic capacity within 20 years to avert the sort of gridlock that would make fuel consumption only one of many travel nightmares. The automated system approach would allow aircraft to fly optimal trajectories. A trajectory would be defined in the standard three dimensions and eventually include the fourth, time. The management of air traffic by the data-linked exchange of trajectories would start at high altitude and eventually move down to lower altitudes. The automated concept is an outgrowth of the type of tools developed by NASA for use by FAA controllers in managing traffic flows over the years, including ones that optimize routings for the best fuel burn. But AAC would push automation further to reduce workload so controllers can focus on "solving strategic control problems, managing traffic flow during changing weather and ... other unusal events." One key component, the automated trajectory server (ATS), is a ground systems that would rely on software to manage flight path requests from aircrews and controllers. But, Erzberger acknowledges, "The FAA's current plan for upgrades to air traffic services does not include [allowing] the future ground system to issue separation-critical clearances of trajectory changes autonomously to aircraft via data link without explicit approval of a controller," as the AAC proposes. The AAC enables pilots or controllers to data link requests for a trajectory change to the ATS for approval after they are deconflicted with the paths of other aircraft. To divert around storms, for example, pilots could data link their trajectory preference to the ATS. Since several aircraft might request similar routes, the computer would then have to suggest alternatives. This could be accomplished without pilot-controller radio calls, a big bottleneck now. The ATS would have a built-in conflict monitor to call for a resolution (turn, climb or descend), when loss of separation is likely in 1-20 min. The AAC system would reduce controller errors by 90%, according to NASA Ames estimates. The AAC would have a back-up program to assure separation-Tactical Separation Assurance (TSAFE). It s designed to detect short-term traffic conflicts within 3-4 min. of loss of separation. The last line of defense would still be provided by traffic alert & collision avoidance systems (TCAS).

Hughes, David↗

Coupled Low-thrust Trajectory and System Optimization via Multi-Objective Hybrid Optimal Control

The optimization of low-thrust trajectories is tightly coupled with the spacecraft hardware. Trading trajectory characteristics with system parameters ton identify viable solutions and determine mission sensitivities across discrete hardware configurations is labor intensive. Local independent optimization runs can sample the design space, but a global exploration that resolves the relationships between the system variables across multiple objectives enables a full mapping of the optimal solution space. A multi-objective, hybrid optimal control algorithm is formulated using a multi-objective genetic algorithm as an outer loop systems optimizer around a global trajectory optimizer. The coupled problem is solved simultaneously to generate Pareto-optimal solutions in a single execution. The automated approach is demonstrated on two boulder return missions.

Spacecraft Systems↗

A Mathematical Model and Algorithm for Routing Air Traffic Under Weather Uncertainty

A central challenge in managing today's commercial en route air traffic is the task of routing the aircraft in the presence of adverse weather. Such weather can make regions of the airspace unusable, so all affected flights must be re-routed. Today this task is carried out by conference and negotiation between human air traffic controllers (ATC) responsible for the involved sectors of the airspace. One can argue that, in so doing, ATC try to solve an optimization problem without giving it a precise quantitative formulation. Such a formulation gives the mathematical machinery for constructing and verifying algorithms that are aimed at solving the problem. This paper contributes one such formulation and a corresponding algorithm. The algorithm addresses weather uncertainty and has closed form, which allows transparent analysis of correctness, realism, and computational costs.

uncertainty↗

An optimization-based strategy for peridynamic-FEM coupling and for the prescription of nonlocal boundary conditions

We develop and analyze an optimization-based method for the coupling of a static peridynamic (PD) model and a static classical elasticity model. The approach formulates the coupling as a control problem in which the states are the solutions of the PD and classical equations, the objective is to minimize their mismatch on an overlap of the PD and classical domains, and the controls are virtual volume constraints and boundary conditions applied at the local-nonlocal interface. Our numerical tests performed on three-dimensional geometries illustrate the consistency and accuracy of our method, its numerical convergence, and its applicability to realistic engineering geometries. We demonstrate the coupling strategy as a means to reduce computational expense by confining the nonlocal model to a subdomain of interest, and as a means to transmit local (e.g., traction) boundary conditions applied at a surface to a nonlocal model in the bulk of the domain.

97 MATHEMATICS AND COMPUTING↗

Discretized energy minimization in a wave guide with point sources

An anti-noise problem on a finite time interval is solved by minimization of a quadratic functional on the Hilbert space of square integrable controls. To this end, the one-dimensional wave equation with point sources and pointwise reflecting boundary conditions is decomposed into a system for the two propagating components of waves. Wellposedness of this system is proved for a class of data that includes piecewise linear initial conditions and piecewise constant forcing functions. It is shown that for such data the optimal piecewise constant control is the solution of a sparse linear system. Methods for its computational treatment are presented as well as examples of their applicability. The convergence of discrete approximations to the general optimization problem is demonstrated by finite element methods.

Propst, G.↗

Transferable Reinforcement Learning for Smart Homes: Preprint

To harness the great amount of untapped resources at the demand side, smart home technology plays a vital role in solving the "last mile" problem in smart grid. Reinforcement learning (RL), which has demonstrated an outstanding performance in solving many sequential decision-making problems, can be a great candidate to be used in smart home control. For instance, many studies have started investigating the load scheduling problem under dynamic pricing scheme. Based on those, this study aims at providing an affordable solution to encourage a higher smart home adoption rate. Specifically, we investigate combining transfer learning (TL) with RL to reduce the training cost of an optimal RL control policy. Given an optimal policy for a benchmark home, TL can jump-start the RL training of a policy for a new home, which has different appliances and user preferences. Simulation results show that by leveraging TL, RL training converges faster and requires much less computing time for new homes that are similar to the benchmark home. In all, this study proposes a cost-effective approach for training RL control policies for homes at scale, which ultimately reduces the controller's implementation costs, increases the adoption rate of RL controllers, and makes more homes grid-interactive.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION,↗

A numerical approach to controller design for the ACES facility

In recent years the employment of active control techniques for improving the performance of systems involving highly flexible structures has become a topic of considerable research interest. Most of these systems are quite complicated, using multiple actuators and sensors, and possessing high order models. The majority of analytical controller synthesis procedures capable of handling multivariable systems in a systematic way require considerable insight into the underlying mathematical theory to achieve a successful design. This insight is needed in selecting the proper weighting matrices or weighting functions to cast what is naturally a multiple constraint satisfaction problem into an unconstrained optimization problem. Although designers possessing considerable experience with these techniques have a feel for the proper choice of weights, others may spend a significant amount of time attempting to find an acceptable solution. Another disadvantage of such procedures is that the resulting controller has an order greater than or equal to that of the model used for the design. Of course, the order of these controllers can often be reduced, but again this requires a good understanding of the theory involved.

Frazier, W. Garth↗

A direct method for synthesizing low-order optimal feedback control laws with application to flutter suppression

A direct method of synthesizing a low-order optimal feedback control law for a high order system is presented. A nonlinear programming algorithm is employed to search for the control law design variables that minimize a performance index defined by a weighted sum of mean square steady state responses and control inputs. The controller is shown to be equivalent to a partial state estimator. The method is applied to the problem of active flutter suppression. Numerical results are presented for a 20th order system representing an aeroelastic wind-tunnel wing model. Low-order controllers (fourth and sixth order) are compared with a full order (20th order) optimal controller and found to provide near optimal performance with adequate stability margins.

Mukhopadhyay, V.↗