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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

VQE method: a short survey and recent developments

Abstract The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied to solve the electronic Schrödinger equation for a variety of small molecules. However, the scalability of this method is limited by two factors: the complexity of the quantum circuits and the complexity of the classical optimization problem. Both of these factors are affected by the choice of the variational ansatz used to represent the trial wave function. Hence, the construction of an efficient ansatz is an active area of research. Put another way, modern quantum computers are not capable of executing deep quantum circuits produced by using currently available ansatzes for problems that map onto more than several qubits. In this review, we present recent developments in the field of designing efficient ansatzes that fall into two categories—chemistry–inspired and hardware–efficient—that produce quantum circuits that are easier to run on modern hardware. We discuss the shortfalls of ansatzes originally formulated for VQE simulations, how they are addressed in more sophisticated methods, and the potential ways for further improvements.

Fedorov, Dmitry A. (ORCID:0000000316598580)↗
DOE OSTI2023

Exploring strongly correlated quantum spin systems with quantum computers

At inception, quantum annealing leveraged quantum mechanics for classical optimization tasks. However, as machine coherence increases, the realization of quantum spin systems has emerged as an even more fruitful application of this computational model. Alternatives to the standard gate model deserve exploration, to achieve useful quantum advantage via analog quantum computing. The recent demonstration of so-called coherent quantum annealing with 1,000s of qubits, further expands the potential for this hardware to explore quantum system dynamics where the effects of quantum fluctuations can be carefully controlled and observed directly. Implementing existing celebrated spin models—or in fact new and dedicated ones—into quantum annealers will lead to observation and detection of quantum phenomena not yet observed, or not visualized directly, in experimental physics laboratories. Rather than computing or simulating quantum systems, these quantum computers allow one to simply build quantum systems, and experiment on them in an uniquely controlled way, with characterization down to the constitutive degree of freedom. This provides an unprecedented opportunity for understanding the physics of quantum spin systems. Keywords: Theoretical physics currently abounds of interesting theoretical spin models to explore frustration, strongly correlated spins, spin liquids, fractionalized excitations, and topological matter. However enticing, such models are generally only weak proxies for the properties of actual materials. In quantum annealers these models could be realized and experimented upon. Moreover, many more realistic models of such materials could be realized in quantum annealers. Employed in this way, quantum annealers provide an extraordinary versatile platform to explore quantum effects that are hard to find, detect, and characterize in natural materials.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Viscous aerodynamic design using the adjoint variable approach

The use of classical optimal control methods, in particular variational methods, to solve the airfoil optimization problem, by deriving a set of adjoint (costate) equations and boundary conditions has already been done for inviscid (potential and Euler flows) and two dimensional, steady state, incompressible flow governed by the Navier-Stokes equations. The interior and boundary terms of the volume integral have been derived (in this work) for the steady Navier-Stokes equations in three dimensions for a viscous, compressible heat conducting fluid. This can be used to derive the adjoint equations and numerical boundary conditions for general classes of problems and hence paves the way for a solution to the aerodynamic optimization problem for compressible viscous flows. The next steps to the realization of that goal are projected as below. The usual square integral pressure functional as an objective function is being replaced by a more realistic drag functional subject to a lift constraint. The feasibility of attempting the more difficult time dependent problem is being investigated. It remains to get the full system of adjoint equations and boundary conditions with the new functional. The state and adjoint equations must be discretized and coded. An appropriate optimization program must be used (steepest descents seems inadequate) and various known airfoil shapes should be recovered in test cases of the computer program.

DeRise, George↗
NASA NTRS2003

Modeling, Simulation and Control of a Propellant Mixer

This paper addresses some modeling and control issues for a mixing chamber used in rocket engine testing at NASA Stennis Space Center. The mixer must combine high pressure liquid hydrogen (LH2) and gaseous hydrogen (GH2) to produce and output flow that meets certain thermodynamic properties before it is fed into a test article. More precisely, this paper considers that the quantities to be tracked and/or regulated are mixer internal pressure, exit mass flow, and exit temperature. The available control inputs are given by three value positions, namely those of the GH2, LH2 and exit valves. The mixer is modelled by a system of two nonlinear ordinary differential equations having density and internal energy as states. The model must be simple enough to lend itself to subsequent feedback controller design, yet its accuracy must be tested against real data. For this reason, the model includes function calls to thermodynamic property data. Some structural properties of the resulting model that pertain to controller design, such as controllability and uniqueness of the equilibrium point are shown to hold. Validation of the model against real data is also provided. As a first control approach, a small-signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Classical optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasurable but bounded additive step perturbations in the valve positions. A feedback linearization controller is designed and used to achieve tracking and regulation of the outputs over an extended range of the variables of interest.

Richter, Hanz↗
NASA NTRS2003

Small Signal Point-to-Point Tracking of a Propellant Mixer

This paper addresses some theoretical modelling and control issues for a mixing chamber used in rocket engine testing at NASA Stennis Space Center. The mixer is responsible for combining high pressure LH2 and GH2 to produce a hydrogen flow that meets certain thermodynamic properties before it is fed into a test article. The desired properties are maintained by precise control of the LH2 and GH2 flows. The mixer is modelled as a general multi-flow lumped volume for single constituent fluids using density and internal energy as states. The set of nonlinear differential equations is modelled in the SIMULINK environment including a table look-up feature of the fluid thermodynamic properties. a small-signal (linear) model is developed based on the nonlinear model and simulated as well. Pulse disturbances are introduced to the valve positions and the quality of the linear model is ascertained by comparing its behavior against the nonlinear model simulations. Valve control strategies that simulate an operator-in-the-loop scenario are then explored demonstrating the need for automatic feedback control. Finally, classical optimal single-output and multi-output Proportional/Integral controllers are designed based on the linear model and applied to the nonlinear model with excellent results to track simultaneous, constant setpoint changes in desired exit flow, exit temperature, and mixer pressure, as well as to reject unmeasurable but bounded additive step perturbations in the valve positions.

Barbieri, Enrique↗
NASA NTRS2009

Arm Locking for the Laser Interferometer Space Antenna

The Laser Interferometer Space Antenna (LISA) mission is a planned gravitational wave detector consisting of three spacecraft in heliocentric orbit. Laser interferometry is used to measure distance fluctuations between test masses aboard each spacecraft to the picometer level over a 5 million kilometer separation. Laser frequency fluctuations must be suppressed in order to meet the measurement requirements. Arm-locking, a technique that uses the constellation of spacecraft as a frequency reference, is a proposed method for stabilizing the laser frequency. We consider the problem of arm-locking using classical optimal control theory and find that our designs satisfy the LISA requirements.

Maghami, P. G.↗
NASA NTRS2013

Integration of Mirror Design with Suspension System using NASA's New Mirror Modeling Software

Advances in mirror fabrication is making very large space based telescopes possible. In the many applications, only monolithic mirrors meet the performance requirements. The existing and near-term planned heavy launch vehicles place a premium on lowest possible mass. Again, available and planned payload shroud size limits near term designs to 4 meter class mirror. Practical 8 meter and beyond designs could encourage planners to include larger shrouds if it can be proven that such mirrors can be manufactured. These two factors lower mass and larger mirrors, presents the classic optimization problem. There is a practical upper limit to how large a mirror can be supported by a purely kinematic mount system and be launched. This paper shows how the design of the suspension system and mirror blank needs to be designed simultaneously. We will also explore the concepts of auxiliary support systems, which act only during launch and disengage on orbit. We will define required characteristics of these systems and show how they can substantially reduce the mirror mass. The AMTD project is developing and maturing the processes for future replacements for HUBBLE, creating the design tools, validating the methods and techniques necessary to manufacture, test and launch extremely large optical missions. This paper will use the AMTD 4 meter "design point" as an illustration of the typical use of the modeler in generating the multiple models of mirror and suspension systems used during the conceptual design phase of most projects. The influence of Hexapod geometry, mirror depth, cell size and construction techniques (Exelsis Deep Core Low Temperature Fusion (c) versus Corning Frit Bonded (c) versus Schott Pocket Milled Zerodur (c) in this particular study) are being evaluated. Due to space and time consideration we will only be able to present snippets of the study in this paper. The advances in manufacturing techniques for lightweight mirrors, such as EXELSIS deep core low temperature fusion, Corning's continued improvements in the Frit bonding process and the ability to cast large complex designs, combined with water-jet and conventional diamond.

Arnold, William↗
NASA NTRS2013

Integration of Mirror Design with Suspension System Using NASA's New Mirror Modeling Software

Advances in mirror fabrication are making very large space based telescopes possible. In many applications, only monolithic mirrors can meet the performance requirements. The existing and near-term planned heavy launch vehicles place a premium on lowest possible mass, and then available payload shroud sizes limit near term designs to 4 meter class mirrors. Practical 8 meter class and beyond designs could encourage planners to include larger shrouds, if it can be proven that such mirrors can be manufactured. These two factors, lower mass and larger mirrors, present the classic optimization problem. There is a practical upper limit to how large of a mirror can be supported by a purely kinematic mount system handling both operational and launch loads. This paper shows how the suspension system and mirror blank need to be designed simultaneously. We will also explore the concepts of auxiliary support systems which act only during launch and disengage on orbit. We will define required characteristics of these systems and show how they can substantially reduce the mirror mass.

Arnold, William R., Sr.↗
NASA NTRS2013

Integration of Mirror Design with Suspension System using NASA's New Mirror Modeling Software

Advances in mirror fabrication are making very large space based telescopes possible. In many applications, only monolithic mirrors can meet the performance requirements. The existing and near-term planned heavy launch vehicles place a premium on lowest possible mass, and then available payload shroud sizes limit near term designs to 4 meter class mirrors. Practical 8 meter class and beyond designs could encourage planners to include larger shrouds, if it can be proven that such mirrors can be manufactured. These two factors, lower mass and larger mirrors, present the classic optimization problem. There is a practical upper limit to how large of a mirror can be supported by a purely kinematic mount system handling both operational and launch loads. This paper shows how the suspension system and mirror blank need to be designed simultaneously. We will also explore the concepts of auxiliary support systems which act only during launch and disengage on orbit. We will define required characteristics of these systems and show how they can substantially reduce the mirror mass.

Arnold,William R., Sr.↗
DOE OSTI2024

MFANS 2024 - Formally Proving Characteristics of Cyber-Physical Systems

Cyber-physical systems (CPS) are engineered systems that rely on the smooth integration of computational algorithms and physical elements. This integration presents new challenges for verifying that systems will behave as expected. The goal of this presentation is to present current challenges and potential solutions for the formal verification of cyber-physical systems. For cyber systems, formal methods refer to systematically rigorous mathematical techniques employed in the specification, development, analysis, and verification of both software and hardware systems. Recent advancements in computer science have yielded sophisticated tools specifically designed to address challenges associated with formal methods in complex systems. These tools leverage various foundational concepts such as logic, formal languages, program semantics, type systems, type theory, and automata theory. A notable achievement in the application of formal methods is the seL4 microkernel, claimed to be the first general-purpose operating-system kernel to be verified. Its proof implies the absence of bugs and guarantees that the kernel meets specifications. For physical systems, dynamic and control theory has a history of using rigorous analytic techniques to prove functional correctness. Lyapunov, optimal, classical, modern, and robust control theories all provide rigorous mathematical methods both to analyze system performance and to design controller that can be guaranteed to meet certain objectives. Recent computational techniques like level set theory and reachability analysis provide assertions that a system's state will avoid unsafe regions. Even though success has been independently achieved for cyber systems and physical systems, the integration of such systems creates new challenges. In particular, there is an obvious discrepancy between finite-state machines and infinite-state systems, resulting in different approaches for modeling and analyzing these system. While it is possible to simulate hybrid systems, this provides only a demonstration of a performance and not proof. For hybrid systems, current formal methods and system analysis approaches typically require a workarounds to work on hybrid systems like CPS. This paper will outline the state of the art and limits of current practice for formally verifying CPS and will identify possible research directions that require attention.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

How to Build a Quantum Supercomputer: Scaling from Hundreds to Millions of Qubits

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits and proof-of-principle error-correction on a single logical qubit. Nevertheless, despite significant progress and excitement, the path toward a full-stack scalable technology is largely unknown. There are significant outstanding quantum hardware, fabrication, software architecture, and algorithmic challenges that are either unresolved or overlooked. These issues could seriously undermine the arrival of utility-scale quantum computers for the foreseeable future. Here, we provide a comprehensive review of these scaling challenges. We show how the road to scaling could be paved by adopting existing semiconductor technology to build much higher-quality qubits, employing system engineering approaches, and performing distributed quantum computation within heterogeneous high-performance computing infrastructures. These opportunities for research and development could unlock certain promising applications, in particular, efficient quantum simulation/learning of quantum data generated by natural or engineered quantum systems. To estimate the true cost of such promises, we provide a detailed resource and sensitivity analysis for classically hard quantum chemistry calculations on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. Furthermore, we argue that, to tackle industry-scale classical optimization and machine learning problems in a cost-effective manner, heterogeneous quantum-probabilistic computing with custom-designed accelerators should be considered as a complementary path toward scalability.

Mohseni, Masoud↗
DOE OSTI2024

Evidence of scaling advantage for the quantum approximate optimization algorithm on a classically intractable problem

The quantum approximate optimization algorithm (QAOA) is a leading candidate algorithm for solving optimization problems on quantum computers. However, the potential of QAOA to tackle classically intractable problems remains unclear. Here, we perform an extensive numerical investigation of QAOA on the low autocorrelation binary sequences (LABS) problem, which is classically intractable even for moderately sized instances. We perform noiseless simulations with up to 40 qubits and observe that the runtime of QAOA with fixed parameters scales better than branch-and-bound solvers, which are the state-of-the-art exact solvers for LABS. The combination of QAOA with quantum minimum finding gives the best empirical scaling of any algorithm for the LABS problem. We demonstrate experimental progress in executing QAOA for the LABS problem using an algorithm-specific error detection scheme on Quantinuum trapped-ion processors. Our results provide evidence for the utility of QAOA as an algorithmic component that enables quantum speedups.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Operator Relaxation and the Optimal Depth of Classical Shadows

Classical shadows are a powerful method for learning many properties of quantum states in a sample-efficient manner, by making use of randomized measurements. Here we study the sample complexity of learning the expectation value of Pauli operators via “shallow shadows,” a recently proposed version of classical shadows in which the randomization step is effected by a local unitary circuit of variable depth t. Here we show that the shadow norm (the quantity controlling the sample complexity) is expressed in terms of properties of the Heisenberg time evolution of operators under the randomizing (“twirling”) circuit—namely the evolution of the weight distribution characterizing the number of sites on which an operator acts nontrivially. For spatially contiguous Pauli operators of weight k, this entails a competition between two processes: operator spreading (whereby the support of an operator grows over time, increasing its weight) and operator relaxation (whereby the bulk of the operator develops an equilibrium density of identity operators, decreasing its weight). From this simple picture we derive (i) an upper bound on the shadow norm which, for depth t~log⁡(k), guarantees an exponential gain in sample complexity over the t=0 protocol in any spatial dimension, and (ii) quantitative results in one dimension within a mean-field approximation, including a universal subleading correction to the optimal depth, found to be in excellent agreement with infinite matrix product state numerical simulations. Our Letter connects fundamental ideas in quantum many-body dynamics to applications in quantum information science, and paves the way to highly optimized protocols for learning different properties of quantum states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

3-regular three-XORSAT planted solutions benchmark of classical and quantum heuristic optimizers

With current semiconductor technology reaching its physical limits, special-purpose hardware has emerged as an option to tackle specific computing-intensive challenges. Optimization in the form of solving quadratic unconstrained binary optimization problems, or equivalently Ising spin glasses, has been the focus of several new dedicated hardware platforms. These platforms come in many different flavors, from highly-efficient hardware implementations on digital-logic of established algorithms to proposals of analog hardware implementing new algorithms. In this work, we use a mapping of a specific class of linear equations whose solutions can be found efficiently, to a hard constraint satisfaction problem (three-regular three-XORSAT, or an Ising spin glass) with a 'golf-course' shaped energy landscape, to benchmark several of these different approaches. We perform a scaling and prefactor analysis of the performance of Fujitsu's digital annealer unit (DAU), the D-Wave advantage quantum annealer, a virtual MemComputing machine, Toshiba's simulated bifurcation machine (SBM), the SATonGPU algorithm from Bernaschi et al, and our implementation of parallel tempering. We identify the SATonGPU and DAU as currently having the smallest scaling exponent for this benchmark, with SATonGPU having a small scaling advantage and in addition having by far the smallest prefactor thanks to its use of massive parallelism. Furthermore, our work provides an objective assessment and a snapshot of the promise and limitations of dedicated optimization hardware relative to a particular class of optimization problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Applications of the theory of optimal control of distributed-parameter systems to structural optimization

An extension of classical methods of optimal control theory for systems described by ordinary differential equations to distributed-parameter systems described by partial differential equations is presented. An application is given involving the minimum-mass design of a simply-supported shear plate with a fixed fundamental frequency of vibration. An optimal plate thickness distribution in analytical form is found. The case of a minimum-mass design of an elastic sandwich plate whose fundamental frequency of free vibration is fixed. Under the most general conditions, the optimization problem reduces to the solution of two simultaneous partial differential equations involving the optimal thickness distribution and the modal displacement. One equation is the uniform energy distribution expression which was found by Ashley and McIntosh for the optimal design of one-dimensional structures with frequency constraints, and by Prager and Taylor for various design criteria in one and two dimensions. The second equation requires dynamic equilibrium at the preassigned vibration frequency.

Armand, J. P.↗