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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 37 records · Page 2

A perspective view of the plane mixing layer

A three-dimensional model of the plane mixing layer is constructed by applying digital image processing and computer graphic techniques to laser fluorescent motion pictures of its transversal sections. A system of streamwise vortex pairs is shown to exist on top of the classical spanwise eddies. Its influence on mixing is examined.

Jimenez, J.↗

Programmable simulations of molecules and materials with reconfigurable quantum processors

Simulations of quantum chemistry and quantum materials are believed to be among the most important applications of quantum information processors. However, realizing practical quantum advantage for such problems is challenging because of the prohibitive computational cost of programming typical problems into quantum hardware. Here we introduce a simulation framework for strongly correlated quantum systems represented by model spin Hamiltonians that uses reconfigurable qubit architectures to simulate real-time dynamics in a programmable way. Our approach also introduces an algorithm for extracting chemically relevant spectral properties via classical co-processing of quantum measurement results. We develop a digital–analogue simulation toolbox for efficient Hamiltonian time evolution using digital Floquet engineering and hardware-optimized multi-qubit operations to accurately realize complex spin–spin interactions. As an example, we propose an implementation based on Rydberg atom arrays. In addition, we show how detailed spectral information can be extracted from the dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single dataset. To illustrate the approach, we show how to use the method to compute key properties of a polynuclear transition-metal catalyst and two-dimensional magnetic materials.

74 ATOMIC AND MOLECULAR PHYSICS↗

Toward simulating quantum field theories with controlled phonon-ion dynamics: A hybrid analog-digital approach

Quantum field theories are the cornerstones of modern physics, providing relativistic and quantum mechanical descriptions of physical systems at the most fundamental level. Simulating real-time dynamics within these theories remains elusive in classical computing. This provides a unique opportunity for quantum simulators, which hold the promise of revolutionizing our simulation capabilities. Trapped-ion systems are successful quantum-simulator platforms for quantum many-body physics and can operate in digital, or gate-based, and analog modes. Inspired by the progress in proposing and realizing quantum simulations of a number of relativistic quantum field theories using trapped-ion systems, and by the hybrid analog-digital proposals for simulating interacting boson-fermion models, we propose hybrid analog-digital quantum simulations of selected quantum field theories, taking recent developments to the next level. On one hand, the semi-digital nature of this proposal offers more flexibility in engineering generic model interactions compared with a fully-analog approach. On the other hand, encoding the bosonic fields onto the phonon degrees of freedom of the trapped-ion system allows a more efficient usage of simulator resources, and a more natural implementation of intrinsic quantum operations in such platforms. This opens up new ways for simulating complex dynamics of e.g., Abelian and non-Abelian gauge theories, by combining the benefits of digital and analog schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Implementation of interconnect simulation tools in spice

Accurate computer simulation of high speed digital computer circuits and communication circuits requires a multimode approach to simulate both the devices and the interconnects between devices. Classical circuit analysis algorithms (lumped parameter) are needed for circuit devices and the network formed by the interconnected devices. The interconnects, however, have to be modeled as transmission lines which incorporate electromagnetic field analysis. An approach to writing a multimode simulator is to take an existing software package which performs either lumped parameter analysis or field analysis and add the missing type of analysis routines to the package. In this work a traditionally lumped parameter simulator, SPICE, is modified so that it will perform lossy transmission line analysis using a different model approach. Modifying SPICE3E2 or any other large software package is not a trivial task. An understanding of the programming conventions used, simulation software, and simulation algorithms is required. This thesis was written to clarify the procedure for installing a device into SPICE3E2. The installation of three devices is documented and the installations of the first two provide a foundation for installation of the lossy line which is the third device. The details of discussions are specific to SPICE, but the concepts will be helpful when performing installations into other circuit analysis packages.

Satsangi, H.↗

Adiabatic quantum support vector machines

Adiabatic quantum computers can solve difficult optimization problems (e.g., the quadratic unconstrained binary optimization problem), and they seem well suited to train machine learning models. In this paper, we describe an adiabatic quantum approach for training support vector machines. We show that the time complexity of our quantum approach is an order of magnitude better than the classical approach. Next, we compare the test accuracy of our quantum approach against a classical approach that uses the Scikit-learn library in Python across five benchmark datasets (Iris, Wisconsin Breast Cancer (WBC), Wine, Digits, and Lambeq). We show that our quantum approach obtains accuracies on par with the classical approach. Finally, we perform a scalability study in which we compute the total training times of the quantum approach and the classical approach with an increasing number of features and an increasing number of data points in the training dataset. In conclusion, our scalability results show that the quantum approach obtains a 3.5–4.5x speedup over the classical approach on datasets with many (millions of) features.

Computational Complexity↗

Verification test results of Apollo stabilization and control systems during undocked operations

The results are presented of analysis and simulation testing of both the Skylark 1 reaction control system digital autopilot (RCS DAP) and the thrust vector control (TVC) autopilot for use during the undocked portions of the Apollo/Soyuz Test Project Mission. The RCS DAP testing was performed using the Skylab Functional Simulator (SLFS), a digital computer program capable of simulating the Apollo and Skylab autopilots along with vehicle dynamics including bending and sloshing. The model is used to simulate three-axis automatic maneuvers along with pilot controlled manual maneuvers using the RCS DAP. The TVC autopilot was tested in two parts. A classical stability analysis was performed on the vehicle considering the effects of structural bending and sloshing when under control of the TVC autopilot. The time response of the TVC autopilot was tested using the SLFS. Results indicate that adequate performance stability margins can be expected for the CSM/DM configuration when under the control of the Apollo control systems tested.

Copeland, E. L.↗

The future of computing beyond Moore’s Law

Moore’s Law is a techno-economic model that has enabled the information technology industry to double the performance and functionality of digital electronics roughly every 2 years within a fixed cost, power and area. Advances in silicon lithography have enabled this exponential miniaturization of electronics, but, as transistors reach atomic scale and fabrication costs continue to rise, the classical technological driver that has underpinned Moore’s Law for 50 years is failing and is anticipated to flatten by 2025. Here, this article provides an updated view of what a post-exascale system will look like and the challenges ahead, based on our most recent understanding of technology roadmaps. It also discusses the tapering of historical improvements, and how it affects options available to continue scaling of successors to the first exascale machine. Lastly, this article covers the many different opportunities and strategies available to continue computing performance improvements in the absence of historical technology drivers. This article is part of a discussion meeting issue ‘Numerical algorithms for high-performance computational science’.

97 MATHEMATICS AND COMPUTING↗

Digital Technologies at NASA for Science and Engineering

While scientific and engineering advancements used to rely primarily on theoretical studies and physical experiments, today digital technology enabled by petaflops-scale supercomputers is an equal, if not a greater, contributor to such achievements. In addition, computational modeling and simulation serves as a predictive tool that is not otherwise available. As a result, the use of high performance computing is integral to NASA's work in all mission areas such as space exploration, aeronautics, and scientific discovery. But traditional supercomputing alone is not sufficient for all of the space agency's needs. The success of many NASA missions depends on solving complex computing challenges, some of which are NP-hard (decision theory) if using classical solution methods. Quantum computing promises an unprecedented ability to solve such intractable problems by harnessing quantum mechanical effects such as tunneling, superposition, and entanglement. Another disruptive digital technology is neuromorphic computing that uses brain-inspired lessons to generate new architectures that are much more energy efficient, and capable of massive parallel processing and learning in-situ. Finally, with large amounts of observational and computational data sets, the opportunities of big data and data analytics can be leveraged to enable deep learning and knowledge discovery - it's all a massive digital transformation. This talk will be an overview how NASA utilizes digital technologies for its science and engineering efforts.

Biswas, Rupak↗

Short-Depth QAOA circuits and Quantum Annealing on Higher-Order Ising Models (Rev.2)

The Quantum Alternating Operator Ansatz (QAOA) and Quantum Annealing (QA) are quantum algorithms that are both based on the adiabatic theorem and both have the goal of sampling the optimal solution(s) of combinatorial optimization problems. Quantum annealing has been physically instantiated on D-Wave devices using superconducting flux qubits, and QAOA can be programmed on digital gate-model quantum computers such as the programmable superconducting transmon qubits devices of the IBMQ series, for instance ibm washington. QAOA and QA address the same types of problems, but it is unclear how they will scale to large problem sizes and to larger and higher-fidelity quantum computers. In this article, we present a direct comparison between QAOA, one and two rounds, run on all 127 qubits of ibm washington and QA run on D-Wave Advantage system4.1 and Advantage system6.1. The problems which allow for this comparison are random Ising model problems whose connectivity matches the heavy hexagonal lattice topology of ibm washington and the Pegasus graph connectivity of the two D-Wave devices. We create two classes of problem instances for this comparison: one with higher order terms (ZZZ variable interactions), linear terms, and quadratic terms, and a separate problem type with only linear and quadratic terms. Our QAOA circuits are novel and extremely short depth, with a CNOT depth of 6 per round, which allows whole chip usage of ibm washington’s heavy hexagonal lattice and can be applied to future heavy-hex chips. We also test the effectiveness of the error suppression technique digital dynamical decoupling on the QAOA circuits. The QAOA circuits compiled to ibm washington are composed of several thousand circuit instructions, approximately 3, 000 depending on the details of the circuit, making these some the largest quantum circuits ever executed on a digital quantum processor. QAOA and QA are compared against the classical heuristic algorithm of simulated annealing and all problem instances are exactly solved using CPLEX in order to evaluate which samplers, if any, correctly found the ground state solution(s) of the problem instances. We find that (i) QA outperforms QAOA on all problem instances, (ii) QAOA samples the problems better than random sampling, and (iii) QAOA angle computation exhibits clear parameter concentration across the ensemble of Ising models.

127 Qubits↗

Nonlinear thermodynamic computing out of equilibrium

We present the design for a thermodynamic computer that can perform arbitrary nonlinear calculations in or out of equilibrium. Simple thermodynamic circuits, fluctuating degrees of freedom in contact with a thermal bath and confined by a quartic potential, display an activity that is a nonlinear function of their input. Such circuits can therefore be regarded as thermodynamic neurons, and can serve as the building blocks of networked structures that act as thermodynamic neural networks, universal function approximators whose operation is powered by thermal fluctuations. We simulate a digital model of a thermodynamic neural network, and show that its parameters can be adjusted by genetic algorithm to perform nonlinear calculations at specified observation times, regardless of whether the system has attained thermal equilibrium. This work expands the field of thermodynamic computing beyond the regime of thermal equilibrium, enabling fully nonlinear computations, analogous to those performed by classical neural networks, at specified observation times.

Whitelam, Stephen [Lawrence Berkeley National Labo↗

Alternative approach to quantum imaginary time evolution

There is increasing interest in quantum algorithms (QAs) that are based on the imaginary time evolution (ITE), a successful classical numerical approach to obtain ground states. However, most of the proposals so far require heavy postprocessing computational steps on a classical computer, such as solving linear equations. Here we provide an alternative approach to implement ITE. A key feature in our approach is the use of an orthogonal basis set: the propagated state is efficiently expressed in terms of orthogonal basis states at every step of the evolution. We argue that the number of basis states needed at those steps to achieve an accurate solution can be kept on the order of n , the number of qubits, by controlling the precision (number of significant digits) and the imaginary time increment. The number of quantum gates per imaginary time step is estimated to be polynomial in n . Additionally, while in many QAs the locality of the Hamiltonian is a key assumption, in our algorithm this restriction is not required. This characteristic of our algorithm renders it useful for studying highly nonlocal systems, such as the occupation-representation nuclear shell model. Here, we illustrate our algorithm through numerical implementation on an IBM quantum simulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Digital Twin of Scalable Quantum Clouds

Quantum computing has emerged as a transformative technology capable of solving complex problems beyond the limit of classical systems. The rapid development of quantum processors has led to the proliferation of cloud-based quantum computing services offered by platforms such as IBM, Google, and Amazon. These platforms introduce unique challenges in resource allocation, job scheduling, and multi-device orchestration as quantum workloads become increasingly complex. In this work, we present a digital twin of quantum cloud infrastructures: a framework designed to model and simulate the behavior of real quantum cloud systems. Developed in Python using the SimPy discrete-event simulation library, the framework replicates key aspects of quantum cloud environments, including detailed quantum device modeling, job lifecycle management, and job fidelity. It incorporates noise-aware fidelity estimation, making it the first of its kind to simulate superconducting gate-based quantum cloud systems at an administrative level with job fidelity. We present use cases as proof of concept, demonstrating that our quantum cloud simulation framework can act as a digital twin of a quantum cloud and support the modeling and implementation of practical systems.

Luo, Waylon [Kent State University]↗

Dimension Reduction and Redundancy Removal through Successive Schmidt Decompositions

Quantum computers are believed to have the ability to process huge data sizes, which can be seen in machine learning applications. In these applications, the data, in general, are classical. Therefore, to process them on a quantum computer, there is a need for efficient methods that can be used to map classical data on quantum states in a concise manner. On the other hand, to verify the results of quantum computers and study quantum algorithms, we need to be able to approximate quantum operations into forms that are easier to simulate on classical computers with some errors. Motivated by these needs, in this paper, we study the approximation of matrices and vectors by using their tensor products obtained through successive Schmidt decompositions. We show that data with distributions such as uniform, Poisson, exponential, or similar to these distributions can be approximated by using only a few terms, which can be easily mapped onto quantum circuits. The examples include random data with different distributions, the Gram matrices of iris flower, handwritten digits, 20newsgroup, and labeled faces in the wild. Similarly, some quantum operations, such as quantum Fourier transform and variational quantum circuits with a small depth, may also be approximated with a few terms that are easier to simulate on classical computers. Furthermore, we show how the method can be used to simplify quantum Hamiltonians: In particular, we show the application to randomly generated transverse field Ising model Hamiltonians. The reduced Hamiltonians can be mapped into quantum circuits easily and, therefore, can be simulated more efficiently.

97 MATHEMATICS AND COMPUTING↗

Thermal transport in defective and disordered materials

With significant recent advancements in thermal sciences—such as the development of new theoretical and experimental techniques, and the discovery of new transport mechanisms—it is helpful to revisit the fundamentals of vibrational heat conduction to formulate an updated and informed physical understanding. The increasing maturity of simulation and modeling methods sparks the desire to leverage these techniques to rapidly improve and develop technology through digital engineering and multi-scale, electro-thermal models. With that vision in mind, this review attempts to build a holistic understanding of thermal transport by focusing on the often unaddressed relationships between subfields, which can be critical for multi-scale modeling approaches. For example, we outline the relationship between mode-specific (computational) and spectral (analytical) models. We relate thermal boundary resistance models based on perturbation approaches and classic transmissivity based models. We discuss the relationship between lattice dynamics and molecular dynamics approaches along with two-channel transport frameworks that have emerged recently and that connect crystal-like and amorphous-like heat conduction. Throughout, we discuss best practices for modeling experimental data and outline how these models can guide material-level and system-level design.

42 ENGINEERING↗

Assessment of ICESat-2’s Horizontal Accuracy Using Precisely Surveyed Terrains in McMurdo Dry Valleys, Antarctica

This article presents an assessment of the horizontal accuracy and precision of the laser altimetry observations collected by NASA’s Ice, Cloud, and Land Elevation Satellite-2 (ICESat-2) mission. We selected the terrain-matching method to determine the position of laser altimeter profiles within a precisely known surface, represented by a digital elevation model (DEM). We took this classical approach a step further, approximated the DEM by planar surfaces, and calculated the optimal position of the laser profile by minimizing the square sum of the elevation differences between reference DEMs and ICESat-2 profiles. We found the highly accurate DEMs of the McMurdo Dry Valleys (DV), Antarctica, ideal for this research because of their stable landscape and rugged topography. We computed the 3-D shift parameters of 379 different laser altimeter profiles along two reference ground tracks collected within the first two years of the mission. Analyzing these results revealed a total geolocation error (mean +1 σ ) of 4.93 m for version 3 and 4.66 m for version 4 data. These numbers are the averages of the six beams, expressed as mean +1 σ and lie well within the mission requirement of 6.5 m.

calibration↗

A Simple Test Method for Large Deformation Bending of Thin High Strain Composite Flexures

A simple test method for large deformation bending of thin composite laminates is investigated using image processing and full-field strain measurements. The assumptions and kinematic equations that represent the test are used to calculate numerically the laminate bending stiffness and strength as well as the curvature and strains at failure. In order to validate the test methodology, a comparison is performed between analytical model predictions and empirical data in terms of computed surface strains versus digital image correlation data and calculated rotation angles of the fixture arms throughout the test versus measured ones. The new test method is then used to calculate the bending stiffness in the D11 and D22 directions as well as failure strains for various thin-ply laminates of interest. These parameters are ultimately compared with predicted values using micromechanics and classical lamination theory analysis. In general, bending stiffness and strain test results and predictions for 0 degree orientation coupons have a maximum difference of 10% and 35%.

Fernandez, Juan M.↗

Enabling Pulse-level Programming, Compilation, and Execution in XACC

Noisy gate-model quantum processing units (QPUs) are currently available from vendors over the cloud, and digital quantum programming approaches exist to run low-depth circuits on physical hardware. These digital representations are ultimately lowered to pulse-level instructions by vendor quantum control systems to affect unitary evolution representative of the submitted digital circuit. Vendors are beginning to open this pulse-level control system to the public via specified interfaces. Robust programming methodologies, software frameworks, and backend simulation technologies for this analog model of quantum computation will prove critical to advancing pulse-level control research and development. Prototypical use cases for this include error mitigation, optimal pulse control, and physics-inspired pulse construction. Here we present an extension to the XACC quantum-classical software framework that enables pulse-level programming for superconducting, gate-model quantum computers, and a novel, general, and extensible pulse-level simulation backend for XACC that scales on classical compute clusters via MPI. Our work enables custom backend Hamiltonian definitions and gate-level compilation to available pulses with a focus on performance and scalability. We end with a demonstration of this capability, and show how to use XACC for pertinent pulse-level programming tasks.

97 MATHEMATICS AND COMPUTING↗