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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 1,243 records · Page 69

Computational studies of impurity migration during induction stirring of molten uranium

Understanding and controlling impurity behavior in actinide metal casting processes are foundational for efficient part production yet remain major challenges for researchers and industry. To help provide insight regarding impurity distribution during actinide metal casting, we have developed computational fluid dynamics (CFD) models for a laboratory-scale system using commercial and open-source code. Multiple simulation frameworks allow for improved confidence in the resulting outputs, while taking advantage of the maturity and convenience offered by commercial platforms and simultaneously maintaining the transparency and flexibility often provided by open-source software. Here, we describe multiple experiment-informed models designed to simulate a specific laboratory system in which uranium melt, containing a known starting concentration of carbon impurity, is electromagnetically stirred in an induction furnace. Here, the goal of the simulations is to predict the motion of uranium carbide microparticles in the velocity field of the melt. Prior to simulating the uranium-carbon system, numerical models were validated using a previously published nonradioactive experimental system. Effects of the size and shape of impurity particles in the models were investigated and agree with experimental findings. Simulation of smaller particles (< 50 µm) shows more homogenous distribution throughout the stirred melt. With increased particle size (100 µm), the body forces, which include the buoyancy force, dominate over the drag force, causing larger particles to move toward the crucible walls and upward in the system.

36 MATERIALS SCIENCE↗

Algorithms for Efficient Computation of Transfer Functions for Large Order Flexible Systems

An efficient and robust computational scheme is given for the calculation of the frequency response function of a large order, flexible system implemented with a linear, time invariant control system. Advantage is taken of the highly structured sparsity of the system matrix of the plant based on a model of the structure using normal mode coordinates. The computational time per frequency point of the new computational scheme is a linear function of system size, a significant improvement over traditional, still-matrix techniques whose computational times per frequency point range from quadratic to cubic functions of system size. This permits the practical frequency domain analysis of systems of much larger order than by traditional, full-matrix techniques. Formulations are given for both open- and closed-loop systems. Numerical examples are presented showing the advantages of the present formulation over traditional approaches, both in speed and in accuracy. Using a model with 703 structural modes, the present method was up to two orders of magnitude faster than a traditional method. The present method generally showed good to excellent accuracy throughout the range of test frequencies, while traditional methods gave adequate accuracy for lower frequencies, but generally deteriorated in performance at higher frequencies with worst case errors being many orders of magnitude times the correct values.

Maghami, Peiman G.↗

Efficient Computation of Closed-loop Frequency Response for Large Order Flexible Systems

An efficient and robust computational scheme is given for the calculation of the frequency response function of a large order, flexible system implemented with a linear, time invariant control system. Advantage is taken of the highly structured sparsity of the system matrix of the plant based on a model of the structure using normal mode coordinates. The computational time per frequency point of the new computational scheme is a linear function of system size, a significant improvement over traditional, full-matrix techniques whose computational times per frequency point range from quadratic to cubic functions of system size. This permits the practical frequency domain analysis of systems of much larger order than by traditional, full-matrix techniques. Formulations are given for both open and closed loop loop systems. Numerical examples are presented showing the advantages of the present formulation over traditional approaches, both in speed and in accuracy. Using a model with 703 structural modes, a speed-up of almost two orders of magnitude was observed while accuracy improved by up to 5 decimal places.

Maghami, Peiman G.↗

Rough and Steep Terrain Lunar Surface Mobility

In the summer of 2004, the NASA Exploration Systems Mission Directorate conducted an open call for projects relevant to human and robotic exploration of the Earth-Moon and Mars systems. A project entitled 'Rough and Steep Terrain Lunar Surface Mobility' was submitted by JPL and accepted by NASA. The principal investigator of this project describes the robotic vehicle being developed for this effort, which includes six 'wheels-on-legs' so that it can roll efficiently on relatively smooth terrain but walk (using locked wheels as footpads) when "the going gets rough".

rough↗

The Ponderomotive Effects of Narrow-band, Superconducting Resonators in Open and Closed Loop

In this work, we present measurements of ponderomotive instabilities in narrow-band, coaxial resonators in open and closed control loop systems. We show an analytical scheme we will use in future studies to examine the dependency of open loop stability on mechanical parameters. Analytical and simulation models are used to predict the onset of the oscillatory instability in half wave resonators with active disturbance rejection control for amplitude and phase stabilization. We demonstrate that for high amplitude controller bandwidths, ponderomotive oscillations can couple with the controller frequency response via higher harmonics and lower the threshold for the oscillatory instability. We reaffirm the superiority of in-phase/quadrature $(I/Q)$ component control in regards to preventing the oscillatory instability, and show how the phase controller can amplify the crosstalk of disturbances in amplitude and phase control. In cases with large disturbances, this effect can lead to instabilities not present in $I/Q$ control.

Brown, Jacob [Michigan State U.; Fermilab] (ORCID:↗

QRCODE: Massively parallelized real-time time-dependent density functional theory for periodic systems

We present a new software module, QRCODE (Quantum Research for Calculating Optically Driven Excitations), for massively parallelized real-time time-dependent density functional theory (RT-TDDFT) calculations of periodic systems in the open-source Qbox software package. Our approach utilizes a custom implementation of a fast Fourier transformation scheme that significantly reduces inter-node message passing interface (MPI) communication of the major computational kernel and shows impressive scaling up to 16,344 CPU cores. In addition to improving computational performance, QRCODE contains a suite of various time propagators for accurate RT-TDDFT calculations. As benchmark applications of QRCODE, we calculate the current density and optical absorption spectra of hexagonal boron nitride (h-BN) and photo-driven reaction dynamics of the ozone-oxygen reaction. We also calculate the second and higher harmonic generation of monolayer and multi-layer boron nitride structures as examples of large material systems. Our optimized implementation of RT-TDDFT in QRCODE enables large-scale calculations of real-time electron dynamics of chemical and material systems with enhanced computational performance and impressive scaling across several thousand CPU cores.

97 MATHEMATICS AND COMPUTING↗

Emergency in-flight egress opening for general aviation aircraft

In support of a stall/spin research program, an emergency in-flight egress system is being installed in a light general aviation airplane. To avoid a major structural redesign for a mechanical door, an add-on 11.2 kg pyrotechnic-actuated system was developed to create an opening in the existing structure. The airplane skin will be explosively severed around the side window, across a central stringer, and down to the floor, creating an opening of approximately 76 by 76 cm. The severed panel will be jettisoned at an initial velocity of approximately 13.7 m/sec. System development included a total of 68 explosive severance tests on aluminum material using small samples, small and full scale flat panel aircraft structural mock-ups, and an actual aircraft fuselage. These tests proved explosive sizing/severance margins, explosive initiation, explosive product containment, and system dynamics.

Bement, L. J.↗

Engineering Dynamically Decoupled Quantum Simulations with Trapped Ions

An external drive can improve the coherence of a quantum many-body system by averaging out noise sources. It can also be used to realize models that are inaccessible in the static limit, through Floquet Hamiltonian engineering. The full possibilities for combining these tools remain unexplored. We develop the requirements needed for a pulse sequence to decouple a quantum many-body system from an external field without altering the intended dynamics. Demonstrating this technique experimentally in an ion-trap platform, we show that it can provide a large improvement to coherence in real-world applications. Finally, we engineer an approximate quantum simulation of the Haldane-Shastry model, an exactly solvable paradigm for long-range interacting spins. Our results expand and unify the quantum simulation toolbox.

97 MATHEMATICS AND COMPUTING↗

Dynamical Complexity of Non-Gaussian Many-Body Systems with Dissipation

We characterize the dynamical state of many-body bosonic and fermionic many-body models with intersite Gaussian couplings, on-site non-Gaussian interactions, and local dissipation comprising incoherent particle loss, particle gain, and dephasing. We first establish that, for fermionic systems, if the dephasing noise is larger than the non-Gaussian interactions, irrespective of the Gaussian coupling strength, the system state is a convex combination of Gaussian states at all times. Furthermore, for bosonic systems, we show that if the particle loss and particle gain rates are larger than the Gaussian intersite couplings, the system remains in a separable state at all times. Building on this characterization, we establish that at noise rates above a threshold, there exists a classical algorithm that can efficiently sample from the system state of both the fermionic and bosonic models. Finally, we show that, unlike fermionic systems, bosonic systems can evolve into states that are not convex Gaussian even when the dissipation is much higher than the on-site non-Gaussianity. Similarly, unlike bosonic systems, fermionic systems can generate entanglement even with noise rates much larger than the intersite couplings.

Computational complexity↗

Increasing Extractable Work in Small Qubit Landscapes

An interesting class of physical systems, including those associated with life, demonstrates the ability to hold thermalization at bay and perpetuate states of high free-energy compared to a local environment. In this work we study quantum systems with no external sources or sinks for energy, heat, work, or entropy that allow for high free-energy subsystems to form and persist. We initialize systems of qubits in mixed, uncorrelated states and evolve them subject to a conservation law. We find that four qubits make up the minimal system for which these restricted dynamics and initial conditions allow an increase in extractable work for a subsystem. On landscapes of eight co-evolving qubits, interacting in randomly selected subsystems at each step, we demonstrate that restricted connectivity and an inhomogeneous distribution of initial temperatures both lead to landscapes with longer intervals of increasing extractable work for individual qubits. We demonstrate the role of correlations that develop on the landscape in enabling a positive change in extractable work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Auxiliary-state-facilitated phase synchronization phenomena in isolated spin systems

Extending classical synchronization to the quantum domain is of great interest both from the fundamental physics point of view and with a view toward quantum technology applications. This work characterizes phase synchronization of an effective spin-1 system, which is realized by coupling three quantum states with infinite lifetime to auxiliary excited states that have a finite lifetime. Integrating out the excited states, the effective spin-1 model features coherent and incoherent effective couplings. The following are our key findings. (i) Phase synchronization can be controlled by adjusting the phases of the couplings to the excited states. (ii) Unlike in the paradigmatic spin-1 system studied in the literature, where the dissipative couplings describe decay into the limit-cycle state, the effective spin-1 model investigated in this work is governed by a competition between dissipative decay into and out of the limit-cycle state, with the dissipative decay out of the limit-cycle state playing a critical role. (iii) We identify a parameter regime where phase synchronization of the effective spin-1 system is, in the absence of coherent effective couplings, governed entirely by the effective dissipators. The effective spin-1 model is benchmarked through comparisons with master-equation calculations for the full Hilbert space. Physical insights are gained through analytical perturbation theory calculations. In conclusion, our findings, which are expected to hold for a broad class of energy-level and coupling schemes, are examined using hyperfine states of 87 Rb as an example system.

Nonlinear optics↗

Many-body theory of phonon-induced spin relaxation and decoherence

First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple with phonons, such as spin precession and spin-flip e-ph scattering, which are difficult to describe with current first-principles calculations. Here, in this work, we show a rigorous framework to study phonon-induced spin relaxation and decoherence, by computing the spin-spin correlation function and its vertex corrections due to e-ph interactions. We apply this approach to a model system and develop corresponding first-principles calculations of spin relaxation in GaAs. Our vertex-correction formalism is shown to capture the Elliott-Yafet, Dyakonov-Perel, and strong-precession mechanisms—three independent spin decoherence regimes with distinct physical origins—thereby unifying their theoretical treatment and calculation. Our method is general and enables quantitative studies of spin relaxation, decoherence, and transport in a wide range of materials and devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Programa de Diseno, Fabricacion y Pruebas del Sistema de Desalinizacion por Olas del NREL: Preprint (Spanish Translation)

To de-risk the U.S. Department of Energy's Waves to Water Prize, the National Renewable Energy Laboratory (NREL) developed a modular, wave powered desalination system. The prize was open to wave energy converter (WEC) designs that generate electricity or WECs that desalinate water mechanically. This added installation risks due to the variance in competitor devices, and the aggressive installation timeline. To reduce these risks NREL developed a wave energy converter (WEC) that the installation team could use to practice installation techniques prior to the competitors arriving to ensure all steps had been considered prior to the event. This was achieved by developing a WEC with a modular power-take-off (PTO). The modular PTO can be configured in one configuration to drive an electric generator that sends electricity to a pier. The electricity that is generated is converted, and stored, so that it can be used to power an electric pump that feeds water to a Reverse Osmosis (RO) desalination unit. In the other configuration the generator is replaced with a pump and seawater is pumped to the RO system on the pier without any electrons being generated. This WEC is formally known as the Hydraulic and Electric Reverse Osmosis (HERO) WEC. For the English version of this report, see NREL/CP-5700-86623 (https://www.nrel.gov/docs/fy24osti/86623.pdf).

laboratory testing↗

Singularities in nearly uniform one-dimensional condensates due to quantum diffusion

Dissipative systems often exhibit wavelength-dependent loss rates. One prominent example is Rydberg polaritons formed by electromagnetically induced transparency, which have long been a leading candidate for studying the physics of interacting photons and also hold promise as a platform for quantum information. In this system, dissipation is in the form of quantum diffusion, i.e., proportional to k 2 (k being the wavevector) and vanishing at long wavelengths as k→0. Here, we show that one-dimensional condensates subject to this type of loss are unstable to long-wavelength density fluctuations in an unusual manner: after a prolonged period in which the condensate appears to relax to a uniform state, local depleted regions quickly form and spread ballistically throughout the system. We connect this behavior to the leading-order equation for the nearly uniform condensate—a dispersive analog to the Kardar-Parisi-Zhang equation—which develops singularities in finite time. Furthermore, we show that the wavefronts of the depleted regions are described by purely dissipative solitons within a pair of hydrodynamic equations, with no counterpart in lossless condensates. We close by discussing conditions under which such singularities and the resulting solitons can be physically realized.

74 ATOMIC AND MOLECULAR PHYSICS↗

Spin dynamics in quantum dots on liquid helium

Liquid He-4 is free from magnetic defects, making it an ideal substrate for electrons with long-lived spin states. Such states can serve as qubit states. Here, in this study, we consider the spin states of electrons electrostatically localized in quantum dots on a helium surface. Efficient gate operations in this system require spin-orbit coupling. It can be created by a nonuniform magnetic field from a current-carrying wire, can be turned on and off, and allows one to obtain large electrodipole moment and comparatively fast coupling of spins in neighboring dots. Of central importance is to understand spin decay due to the spin-orbit coupling. We establish the leading mechanism of such decay and show that the decay is sufficiently slow to enable high-fidelity single- and two-qubit gate operations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Floating-point system quantization errors in digital control systems

This paper considers digital controllers (filters) operating in floating-point arithmetic in either open-loop or closed-loop systems. A quantization error analysis technique is developed, and is implemented by a digital computer program that is based on a digital simulation of the system. The program can be integrated into existing digital simulations of a system.

Phillips, C. L.↗

Practical Introduction to Benchmarking and Characterization of Quantum Computers

Rapid progress in quantum technology has transformed quantum computing and quantum information science from theoretical possibilities into tangible engineering challenges. Breakthroughs in quantum algorithms, quantum simulations, and quantum error correction are bringing useful quantum computation closer to fruition. These remarkable achievements have been facilitated by advances in quantum characterization, verification, and validation (QCVV). QCVV methods and protocols enable scientists and engineers to scrutinize, understand, and enhance the performance of quantum information-processing devices. In this tutorial, we review the fundamental principles underpinning QCVV, and introduce a diverse array of QCVV tools used by quantum researchers. We define and explain QCVV’s core models and concepts—quantum states, measurements, and processes—and illustrate how these building blocks are leveraged to examine a target system or operation. We survey and introduce protocols ranging from simple qubit characterization to advanced benchmarking methods. Along the way, we provide illustrated examples and detailed descriptions of the protocols, highlight the advantages and disadvantages of each, and discuss their potential scalability to future large-scale quantum computers. This tutorial serves as a guidebook for researchers unfamiliar with the benchmarking and characterization of quantum computers, and also as a detailed reference for experienced practitioners.

open quantum systems & decoherence↗

Modal Analysis of a Two-Parachute System

The Orion capsule is designed to land under a nominal configuration of three main parachutes; however, the system is required to be fault tolerant and land successfully if one of the main parachutes fails to open. The Capsule Parachute Assembly System (CPAS) Team performed a series of drop tests in order to characterize the performance of the system with two main parachutes. During the series of drop tests, several distinct dynamical modes were observed. The most consequential of these is the pendulum mode. Three other modes are benign: flyout (scissors), maypole, and breathing. The actual multi-body system is nonlinear, flexible, and possesses significant cross-coupling. Rather than perform analysis of this highly complex system directly, we conduct analysis of each dynamical mode observed during flight, based on first principles. This approach is analogous to traditional aircraft flight dynamics analysis in which the full nonlinear behavior of the airframe is decomposed into longitudinal dynamics (phugoid and short-period modes) and lateral dynamics (spiral, roll-subsidence, and dutch-roll modes). This analysis is intended to supplement multi-body nonlinear simulations in order to provide further insight into the system.

Pei, Jing↗