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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Analysis of Neural Networks as Random Dynamical Systems

In this report we present our findings and outcomes of the NNRDS (analysis of Neural Networks as Random Dynamical Systems) project. The work is largely motivated by the analogy of a large class of neural networks (NNs) with a discretized ordinary differential equation (ODE) schemes. Namely, residual NNs, or ResNets, can be viewed as a discretization of neural ODEs (NODEs) where the NN depth plays the role of the time evolution. We employ several legacy tools from ODE theory, such as stiffness, nonlocality, autonomicity, to enable regularization of ResNets thus improving their generalization capabilities. Furthermore, armed with NN analysis tools borrowed from the ODE theory, we are able to efficiently augment NN predictions with uncertainty overcoming wellknown dimensionality challenges and adding a degree of trust towards NN predictions. Finally, we have developed a Python library QUiNN (Quantification of Uncertainties in Neural Networks) that incorporates improved-architecture ResNets, besides classical feed-forward NNs, and contains wrappers to PyTorch NN models enabling several major classes of uncertainty quantification methods for NNs. Besides synthetic problems, we demonstrate the methods on datasets from climate modeling and materials science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

NuSTAR broad-band X-ray observation campaign of energetic pulsar wind nebulae in synergy with VERITAS, HAWC and Fermi gamma-ray telescopes

We report recent progress on the on-going NuSTAR observation campaign of 8 TeV-detected middle-aged pulsar wind nebulae (PWNe). This campaign constitutes a major part of our NuSTAR study of some of the most energetic TeV sources in our Galaxy detected by VERITAS and HAWC. NuSTAR is the first focusing X-ray telescope operating above 10 keV in space with sub-arcminute angular resolution. Broad-band X-ray imaging and spectroscopy data, obtained by NuSTAR, allow us to probe sub-PeV electron populations through detecting synchrotron X-ray radiation. Our targets include PeVatron candidates detected by HAWC, the Boomerang nebula, PWNe crushed by supernova remnant shocks (or relic PWNe) and G0.9‚0.1 in the Galactic Center. Combined with Fermi-LAT data and available TeV data, we aim to provide a complete, multi-wavelength view of a diverse class of middle-aged (~10–100 kyrs old) PWNe. Our NuSTAR analysis detected hard X-ray emission from the Eel and Boomerang PWNe and characterized their broad-band X-ray spectra most accurately. We plan to apply both time-evolution and multi-zone PWNe models to multi-wavelength spectral energy distribution (SED) data over the radio, X-ray, GeV and TeV bands. In this proceeding, we will review our observation campaign and discuss the preliminary results for some PWNe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Three-pion effects in $K^0-\bar{K}^0$ mixing

The rate of mixing between a neutral kaon and an anti-kaon ($K^0$-$\bar{K}^0$) is given, in part, by a long-range matrix element, defined with two insertions of the weak Hamiltonian separated by physical, Minkowski time evolution. For physical quark masses, the kaon mass lies above the two- and three-pion thresholds and, as a result, this long-range matrix element receives contributions from intermediate on-shell $2\pi$ and $3\pi$ states. These contributions cannot easily be captured in a finite Euclidean spacetime, meaning that such matrix elements are not directly accessible via lattice QCD. In this talk, we present a strategy for combining quantities that can be extracted in numerical lattice QCD calculations in order to reproduce the physical, infinite-volume long-range amplitude for $K^0-\bar{K}^0$. The key novelty relative to published work is that we fully include the effects of three-particle states that were previously neglected. The strategy is built on existing formalism for long-range matrix elements with two-particle intermediate states, together with the relativistic-field-theory finite-volume formalism for extracting three-hadron weak decays.

Jackura, Andrew↗
DOE OSTI2023

Improved Fermion Hamiltonians for Quantum Simulation

We developed a Hamiltonian inspired by ASQTAD and highly improved staggered quark (HISQ) actions and show how these Hamiltonians can be used for quantum simulations. Gate costs for the time evolution of these improved Hamiltonians are provided as well as a demonstration of the reduction of lattice spacing errors using the 1+1d lattice Schwinger model.

Gustafson, Erik↗
DOE OSTI2021

Quantum Algorithm for Simulating Hamiltonian Dynamics with an Off-diagonal Series Expansion

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the dynamics due to the diagonal component of the Hamiltonian from the dynamics generated by its off-diagonal part, which we encode using the linear combination of unitaries technique. Our method has an optimal dependence on the desired precision and, as we illustrate, generally requires considerably fewer resources than the current state-of-the-art. We provide an analysis of resource costs for several sample models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hybridized Methods for Quantum Simulation in the Interaction Picture

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic advantages for some Hamiltonians, but incurs prohibitive constant factors and is incompatible with methods like qubitization. We provide a framework that allows different simulation methods to be hybridized and thereby improve performance for interaction picture simulations over known algorithms. These approaches show asymptotic improvements over the individual methods that comprise them and further make interaction picture simulation methods practical in the near term. Physical applications of these hybridized methods yield a gate complexity scaling as log 2 ⁡ Λ in the electric cutoff Λ for the Schwinger Model and independent of the electron density for collective neutrino oscillations, outperforming the scaling for all current algorithms with these parameters. For the general problem of Hamiltonian simulation subject to dynamical constraints, these methods yield a query complexity independent of the penalty parameter λ used to impose an energy cost on time-evolution into an unphysical subspace.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

State Preparation in the Heisenberg Model through Adiabatic Spiraling

An adiabatic state preparation technique, called the adiabatic spiral, is proposed for the Heisenberg model. This technique is suitable for implementation on a number of quantum simulation platforms such as Rydberg atoms, trapped ions, or superconducting qubits. Classical simulations of small systems suggest that it can be successfully implemented in the near future. A comparison to Trotterized time evolution is performed and it is shown that the adiabatic spiral is able to outperform Trotterized adiabatics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

General quantum algorithms for Hamiltonian simulation with applications to a non-Abelian lattice gauge theory

With a focus on universal quantum computing for quantum simulation, and through the example of lattice gauge theories, we introduce rather general quantum algorithms that can efficiently simulate certain classes of interactions consisting of correlated changes in multiple (bosonic and fermionic) quantum numbers with non-trivial functional coefficients. In particular, we analyze diagonalization of Hamiltonian terms using a singular-value decomposition technique, and discuss how the achieved diagonal unitaries in the digitized time-evolution operator can be implemented. The lattice gauge theory studied is the SU(2) gauge theory in 1+1 dimensions coupled to one flavor of staggered fermions, for which a complete quantum-resource analysis within different computational models is presented. The algorithms are shown to be applicable to higher-dimensional theories as well as to other Abelian and non-Abelian gauge theories. The example chosen further demonstrates the importance of adopting efficient theoretical formulations: it is shown that an explicitly gauge-invariant formulation using loop, string, and hadron degrees of freedom simplifies the algorithms and lowers the cost compared with the standard formulations based on angular-momentum as well as the Schwinger-boson degrees of freedom. The loop-string-hadron formulation further retains the non-Abelian gauge symmetry despite the inexactness of the digitized simulation, without the need for costly controlled operations. Such theoretical and algorithmic considerations are likely to be essential in quantumly simulating other complex theories of relevance to nature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Hamiltonian variational ansatz without barren plateaus

Variational quantum algorithms, which combine highly expressive parameterized quantum circuits (PQCs) and optimization techniques in machine learning, are one of the most promising applications of a near-term quantum computer. Despite their huge potential, the utility of variational quantum algorithms beyond tens of qubits is still questioned. One of the central problems is the trainability of PQCs. The cost function landscape of a randomly initialized PQC is often too flat, asking for an exponential amount of quantum resources to find a solution. This problem, dubbed barren plateaus , has gained lots of attention recently, but a general solution is still not available. In this paper, we solve this problem for the Hamiltonian variational ansatz (HVA), which is widely studied for solving quantum many-body problems. After showing that a circuit described by a time-evolution operator generated by a local Hamiltonian does not have exponentially small gradients, we derive parameter conditions for which the HVA is well approximated by such an operator. Based on this result, we propose an initialization scheme for the variational quantum algorithms and a parameter-constrained ansatz free from barren plateaus.

Physics↗
DOE OSTI2025

Block encoding bosons by signal processing

Block Encoding (BE) is a crucial subroutine in many modern quantum algorithms, including those with near-optimal scaling for simulating quantum many-body systems, which often rely on Quantum Signal Processing (QSP). Currently, the primary methods for constructing BEs are the Linear Combination of Unitaries (LCU) and the sparse oracle approach. In this work, we demonstrate that QSP-based techniques, such as Quantum Singular Value Transformation (QSVT) and Quantum Eigenvalue Transformation for Unitary Matrices (QETU), can themselves be efficiently utilized for BE implementation. Specifically, we present several examples of using QSVT and QETU algorithms, along with their combinations, to block encode Hamiltonians for lattice bosons, an essential ingredient in simulations of high-energy physics. We also introduce a straightforward approach to BE based on the exact implementation of Linear Operators Via Exponentiation and LCU (LOVE-LCU). We find that, while using QSVT for BE results in the best asymptotic gate count scaling with the number of qubits per site, LOVE-LCU outperforms all other methods for operators acting on up to qubits, highlighting the importance of concrete circuit constructions over mere comparisons of asymptotic scalings. Using LOVE-LCU to implement the BE, we simulate the time evolution of single-site and two-site systems in the lattice theory using the Generalized QSP algorithm and compare the gate counts to those required for Trotter simulation.

Kane, Christopher F↗
DOE OSTI2025

Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

To uncover the critical mechanisms responsible for mesoscopic level development during flow-mediated crystal growth, we develop a semi-two-way hydrodynamic coupled structural phase-field crystal formalism (HXPFC-s2). The new formalism, inspired by previous attempts at coupling hydrodynamic and phase-field crystal (PFC) equations, allows for studying mesoscopic flow-mediated crystallization at diffusive timescales pertinent to industrial applications. Unlike previous efforts, the devised coupling to the structural PFC (XPFC) equations allows generalization to more complex crystal structures through explicit parameterization of the direct correlation function (DCF). Utilizing the HXPFC-s2 formalism, we seek to uncover the determinant physical mechanisms in crystallization under simple shear flows by comparing temperature-driven crystallization to flow-mediated crystallization under varying flow-strengths. Parallels and deviations of under-cooling and flow-strength effects on crystal growth are drawn using the crystal cluster-size and system ordering time evolutions. In doing so, we identify scaling behaviors with a Peclet-like number, Pe∼, a critical Peclet-like number, Pe∼*, and flow-field-crystal plane-dependent interactions. Our findings may be relevant for controlling crystal growth and phase behaviors in flow applications.

Willis, L. Connor (ORCID:0009000961321848)↗
DOE OSTI2023

Bubble Relaxation Dynamics in Homopolymer DNA Sequences

Understanding the inherent timescales of large bubbles in DNA is critical to a thorough comprehension of its physicochemical characteristics, as well as their potential role on helix opening and biological function. In this work, we employ the coarse-grained Peyrard–Bishop–Dauxois model of DNA to study relaxation dynamics of large bubbles in homopolymer DNA, using simulations up to the microsecond time scale. By studying energy autocorrelation functions of relatively large bubbles inserted into thermalised DNA molecules, we extract characteristic relaxation times from the equilibration process for both adenine–thymine (AT) and guanine–cytosine (GC) homopolymers. Bubbles of different amplitudes and widths are investigated through extensive statistics and appropriate fittings of their relaxation. Characteristic relaxation times increase with bubble amplitude and width. We show that, within the model, relaxation times are two orders of magnitude longer in GC sequences than in AT sequences. Overall, our results confirm that large bubbles leave a lasting impact on the molecule’s dynamics, for times between 0.5–500 ns depending on the homopolymer type and bubble shape, thus clearly affecting long-time evolutions of the molecule.

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

Determining Ground-State Phase Diagrams on Quantum Computers via a Generalized Application of Adiabatic State Preparation

Quantum phase transitions materialize as level crossings in the ground-state energy when the parameters of the Hamiltonian are varied. The resulting ground-state phase diagrams are straightforward to determine by exact diagonalization on classical computers, but are challenging on quantum computers because of the accuracy needed and the near degeneracy of the competing states close to the level crossings. On the other hand, classical computers are limited to small system sizes, which quantum computers may help overcome. In this work, we use a local adiabatic ramp for state preparation to allow us to directly compute ground-state phase diagrams on a quantum computer via time evolution. This methodology is illustrated by examining the ground states of the XY model with a magnetic field in the z-direction in one dimension. We are able to calculate an accurate phase diagram on both two- and three-site systems using IBM quantum machines.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Light and Airy: A Simple Solution for Relativistic Quantum Acceleration Radiation

We study the quantum radiation of particle production by vacuum from an ultra-relativistic moving mirror (dynamical Casimir effect) solution that allows (possibly for the first time) analytically calculable time evolution of particle creation and an Airy particle spectral distribution. The reality of the beta Bogoliubov coefficients is responsible for the simplicity, and the mirror is asymptotically inertial at the speed of light, with finite energy production. We also discuss general relations regarding negative energy flux, the transformation to the 1-D Schrödinger equation, and the incompleteness of entanglement entropy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spacetime Foam, Midisuperspace, and the Cosmological Constant

Perhaps the cosmological constant really is huge at the Planck scale, but is “hidden” by Planck scale quantum fluctuations of spacetime. I briefly review this proposal and provide some evidence, coming from a simplified midisuperspace model, that an appropriate “foamy” structure can do the job of hiding a large cosmological constant, and can persist under time evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

On the Orbital Elements of the Two-body Problem with Slowly Decreasing Mass: The Gyldén–Mestchersky Cases

We study the dynamics of two-body problems with gravitational parameters μ = μ(t) decreasing with the time. In particular we focus our attention on the behavior of the orbital elements in the first two Gyldén–Mestchersky cases: in the first case (GM-I) μ(t)=μ{sub 0}(1+αt){sup −1}, where μ{sub 0} is the constant initial value of the parameter and α a small positive constant. In the second case (GM-II) μ(t)=μ{sub 0}(1+2αt){sup −1/2}. In the GM-I problem, using a suitable transformation of the radius vector and the physical time, which reduces the original problem to a pure Kepler problem, we are able to obtain explicit analytical expressions of the orbital elements that hold true for all t⩾0 and therefore derive their asymptotic behavior. Moreover using the alternative scaled time these expressions show clearly their periodic and secular terms. For the GM-II problem a similar transformation to the GM-I problem leads to a perturbed Kepler problem with a radial direction perturbation. Although exact solutions in terms of elliptic functions may be obtained, the use of some integrals leads to analytical expressions of orbital elements that allow us to study their behavior. Finally, some comparisons between the time evolution of elements in both problems are also included.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A New Martian Crater Chronology: Implications for Jezero Crater

Crater chronologies are a fundamental tool to assess the relative and absolute ages of planetary surfaces when direct radiometric dating is not available. Martian crater chronologies are derived from lunar crater spatial densities on terrains with known radiometric ages, and thus they critically depend on the Moon-to-Mars extrapolation. This extrapolation requires knowledge of the time evolution of the impact flux, including contributions from various impactor populations, factors that are not trivially connected to the dynamical evolution of the early Solar System. In this paper, we will present a new Martian crater chronology based on current dynamical models, and consider the main sources of uncertainties (e.g., impactor size–frequency distribution; dynamical models with late and early instabilities, etc.). The resulting “envelope” of Martian crater chronologies significantly differs from previous chronologies. The new Martian crater chronology is discussed using two interesting applications: Jezero crater’s dark terrain (relevant to the NASA Mars 2020 mission) and the southern heavily cratered highlands. Our results indicate that Jezero’s dark terrain may have formed ∼3.1 Ga, i.e., up to 0.5 Gyr older than previously thought. In addition, available crater chronologies (including our own) overestimate the number of craters larger than 150 km on the southern highlands, suggesting either that large craters have been efficiently erased over Martian history or that dynamical models need further refinement. Further, our chronology constrains the age of Isidis basin to be 4.05–4.2 Ga and that of the Borealis basin to be 4.35–4.40 Ga; these are predictions that can be tested with future sample and return missions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗