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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Gauge invariants of linearized gravity with a general background metric

In linearized gravity with distributed matter, the background metric has no generic symmetries, and decomposition of the metric perturbation into global normal modes is generally impractical. This complicates the identification of the gauge-invariant part of the perturbation, which is a concern, for example, in the theory of dispersive gravitational waves (GWs) whose energy–momentum must be gauge-invariant. Here, we propose how to identify the gauge-invariant part of the metric perturbation and the six independent gauge invariants per se for an arbitrary background metric. For the Minkowski background, the operator that projects the metric perturbation on the invariant subspace is proportional to the well-known dispersion operator of linear GWs in vacuum. For a general background, this operator is expressed in terms of the Green’s operator of the vacuum wave equation. Further, if the background is smooth, it can be found asymptotically using the inverse scale of the background metric as a small parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Investigating the effects of precise mass measurements of Ru and Pd isotopes on machine learning mass modeling

Atomic masses are a foundational quantity in our understanding of nuclear structure, astrophysics, and fundamental symmetries. The longstanding goal of creating a predictive global model for the binding energy of a nucleus remains a significant challenge, however, and prompts the need for precise measurements of atomic masses to serve as anchor points for model developments. We present precise mass measurements of neutron-rich Ru and Pd isotopes performed at the Californium Rare Isotope Breeder Upgrade facility at Argonne National Laboratory using the Canadian Penning Trap mass spectrometer. The masses of 108 Ru, 110 Ru, and 116 Pd were measured to a relative mass precision $\delta$⁢$m/m$ ≈ 10 -8 via the phase-imaging ion-cyclotron-resonance technique, and represent an improvement of approximately an order of magnitude over previous measurements. Further, these mass data were used in conjunction with the physically interpretable machine learning (PIML) model, which uses a mixture density neural network to model mass excesses via a mixture of Gaussian distributions. The effects of our new mass data on a Bayesian-updating of a PIML model are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Cosmological dynamics of string theory axion strings

The quantum chromodynamics (QCD) axion may solve the strong CP problem and explain the dark matter (DM) abundance of our Universe. The axion was originally proposed to arise as the pseudo-Nambu-Goldstone boson of global U⁢(1) PQ Peccei-Quinn (PQ) symmetry breaking, but axions also arise generically in string theory as zero modes of higher-dimensional gauge fields. In this work we show that string theory axions behave fundamentally differently from field theory axions in the early Universe. Field theory axions may form axion strings if the PQ phase transition takes place after inflation. In contrast, we show that string theory axions do not generically form axion strings. In special inflationary paradigms, such as D-brane inflation, string theory axion strings may form; however, their tension is parametrically larger than that of field theory axion strings. We then show that such QCD axion strings overproduce the DM abundance for all allowed QCD axion masses and are thus ruled out, except in scenarios with large warping. A loop-hole to this conclusion arises in the axiverse, where an axion string could be composed of multiple different axion mass eigenstates; a heavier eigenstate could collapse the network earlier, allowing for the QCD axion to produce the correct DM abundance and also generating observable gravitational wave signals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Physics-constrained, low-dimensional models for magnetohydrodynamics: First-principles and data-driven approaches

Plasmas are highly nonlinear and multiscale, motivating a hierarchy of models to understand and describe their behavior. However, there is a scarcity of plasma models of lower fidelity than magnetohydrodynamics (MHD), although these reduced models hold promise for understanding key physical mechanisms, efficient computation, and real-time optimization and control. Galerkin models, obtained by projection of the MHD equations onto a truncated modal basis, and data-driven models, obtained by modern machine learning and system identification, can furnish this gap in the lower levels of the model hierarchy. This work develops a reduced-order modeling framework for compressible plasmas, leveraging decades of progress in projection-based and data-driven modeling of fluids. We begin by formalizing projection-based model reduction for nonlinear MHD systems. To avoid separate modal decompositions for the magnetic, velocity, and pressure fields, we introduce an energy inner product to synthesize all of the fields into a dimensionally consistent, reduced-order basis. Next, we obtain an analytic model by Galerkin projection of the Hall-MHD equations onto these modes. We illustrate how global conservation laws constrain the model parameters, revealing symmetries that can be enforced in data-driven models, directly connecting these models to the underlying physics. We demonstrate the effectiveness of this approach on data from high-fidelity numerical simulations of a three-dimensional spheromak experiment. Finally, this manuscript builds a bridge to the extensive Galerkin literature in fluid mechanics and facilitates future principled development of projection-based and data-driven models for plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

Off-Nominal Event Analysis in Autonomous Flights Based on Explainable Artificial Intelligence

A key objective in the Urban Air Mobility program at NASA is to intelligently perform an autonomous flight in a complex urban environment under all weather conditions with guaranteed levels of safety. To accomplish this, the mission manager (central decision-making module) of the vehicle needs to make informed decisions between various Courses of Action (CoA) based on its' interpretation of the inputs it receives. If an off-nominal event is detected either based on the amalgamation of sensor data or the use of machine learning models, the mission manager may greatly benefit from identification of the input features that most likely contributed to that specific event. Such an understanding is usually not possible to obtain from the classical machine learning models (deep learning) due to the inherent black box like structure. However, this understanding is achieved using eXplainable Artificial Intelligence (XAI) models that provide a human interpretable rationale for the predictions made. This work presents a game theory inspired XAI model for the off-nominal assessment of autonomous flights. The proposed approach based on Shapley values is model agnostic, provides local as well as global explanation and satisfies the four axioms (efficiency, symmetry, dummy, additivity) to achieve fair contribution. The versatility of the approach is first demonstrated on a simulated dataset in which the significance of each input to flight phase prediction is clearly identified. Subsequently, data from simulated flight trajectories are fed into the model which reveal the input features that most likely contributed to a rotor failure event thereby empowering the mission manager to take the appropriate CoA.

autonomy↗
NASA NTRSDate not supplied

Off-Nominal Event Analysis in Autonomous Flights Based on Explainable Artificial Intelligence

A key objective in the Urban Air Mobility program at NASA is to intelligently perform an autonomous flight in a complex urban environment under all weather conditions with guaranteed levels of safety. To accomplish this, the mission manager (central decision-making module) of the vehicle needs to make informed decisions between various Courses of Action (CoA) based on its' interpretation of the inputs it receives. If an off-nominal event is detected either based on the amalgamation of sensor data or the use of machine learning models, the mission manager may greatly benefit from identification of the input features that most likely contributed to that specific event. Such an understanding is usually not possible to obtain from the classical machine learning models (deep learning) due to the inherent black box like structure. However, this understanding is achieved using eXplainable Artificial Intelligence (XAI) models that provide a human interpretable rationale for the predictions made. This work presents a game theory inspired XAI model for the off-nominal assessment of autonomous flights. The proposed approach based on Shapley values is model agnostic, provides local as well as global explanation and satisfies the four axioms (efficiency, symmetry, dummy, additivity) to achieve fair contribution. The versatility of the approach is first demonstrated on a simulated dataset in which the significance of each input to flight phase prediction is clearly identified. Subsequently, data from simulated flight trajectories are fed into the model which reveal the input features that most likely contributed to a rotor failure event thereby empowering the mission manager to take the appropriate CoA.

autonomy↗
DOE OSTI2026

Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically generate long and deep quantum circuits; gate-efficient universal operator pools generally break symmetries; and gate-efficient, fully symmetry-adapted operator pools may not be universal. In this work, we analyze such symmetry dilemmas both theoretically and numerically. On the theory side, we prove that the popular, gate-efficient operator pool consisting of singlet spin-adapted singles and perfect-pairing doubles is not universal when spatial symmetry is enforced. To demonstrate the strengths and weaknesses of the three types of pools, we perform numerical simulations using an adaptive algorithm paired with operator pools that are (i) fully symmetry-adapted and universal, (ii) fully symmetry-adapted and non-universal, and (iii) breaking a single symmetry and universal. Our numerical simulations encompass three physically relevant scenarios in which the target state is (i) the global ground state, (ii) the ground state crossed by a state differing in multiple symmetry properties, and (iii) the ground state crossed by a state differing in a single symmetry property. Our results show when symmetry-breaking but universal pools can be used safely, when enforcing at least one distinguishing symmetry suffices, and when a particular symmetry must be rigorously preserved to avoid variational collapse. Together, the formal and numerical analyses provide a practical guide for designing and benchmarking symmetry-adapted operator pools that balance universality, resource requirements, and robust state targeting in quantum simulations for chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Global anomalies of Green's function zeros.

We study global anomalies of nonlocal effective theories proposed to describe symmetry-preserving Luttinger surfaces, i.e., the momentum-space manifolds of Green’s function zeros (GFZs) at zero energy, in strongly interacting fermionic systems. In particular, we focus on the simplest possible cases associated with a gapless Dirac zero, which is the counterpart of the gapless Dirac quasiparticle in weakly interacting systems. These theories may be derived by integrating out low-energy degrees of freedom that do not couple to the relevant gauge field. We discuss the global anomaly, the bulk-boundary correspondence, and the constraint on phases consistent with the anomaly, such as non-Fermi liquids and emergent gapless quasiparticles on Luttinger surfaces. Failing to avoid spontaneous symmetry breaking in the thermodynamical limit inevitably leads to unstable GFZs. We also provide some perspective on why the related nonlocal fermionic effective theory studied recently is not a suitable starting point for a symmetrically gapped phase

Su, Lei↗
DOE OSTI2021

Anomaly-induced edge currents in hydrodynamics with parity anomaly

Here in this paper, we discuss relativistic hydrodynamics for a massless Dirac fermion in (2 + 1) dimensions, which has the parity anomaly—a global ’t Hooft anomaly between U(1) and parity symmetries. We investigate how hydrodynamics implements the party anomaly, particularly focusing on the transport phenomena at the boundary. Based on the parity anomaly matching and the second law of local thermodynamics, we find U(1) and entropy currents localized at the boundary, as well as the bulk anomalous current with vanishing divergence. These edge currents are similar to the ( 1 + 1)-dimensional chiral transports, but the coefficients are given by half of theirs. We also generalize our discussion to more general anomalies among multiple U(1) symmetries and single $\mathbb{Z}_2$ symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Skyrme–Hartree–Fock–Bogoliubov mass models on a 3D mesh: IIb. Fission properties of BSkG2

Large-scale models of nuclear structure are currently the only way to provide consistent datasets for the many properties of thousands of exotic nuclei that are required by nucleosynthesis simulations. In [W. Ryssens et al., Eur. Phys. J. A 58, 246 (2022)], we recently presented the new BSkG2 model based on an energy density functional of the Skyrme type. Relying on a flexible three-dimensional coordinate representation of the nucleus, the model takes into account both triaxial deformation and time-reversal symmetry breaking. BSkG2 achieves a state-of-the-art global description of nuclear ground state (g.s.) properties and reproduces in particular the known masses with a root-mean-square (rms) deviation of 678 keV. Moving beyond g.s. properties, the model also reproduces all empirical values for the primary and secondary barriers as well as isomer excitation energies of actinide nuclei with rms deviations below 500 keV, i.e. with unprecedented accuracy. Here we discuss in detail the extension of our framework to the calculation of the fission barriers of 45 actinide nuclei, including odd-mass and odd-odd systems. We focus in particular on the impact of symmetry breaking which is key to the accuracy of the model: we allow systematically for axial, reflection and time-reversal symmetry breaking. The effect of the latter on the fission properties of odd-mass and odd-odd nuclei is small, but we find that allowing for shapes with triaxial or octupole deformation, as well as shapes with both, is crucial to achieving this accuracy. Here, the numerical accuracy of our coordinate space approach, the variety of nuclear configurations explored and the simultaneous successful description of fission properties and known masses makes BSkG2 the tool of choice for the large-scale study of nuclear structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Hidden Rotation Symmetry of the Jordan–Wigner Transformation and Its Application to Measurement in Quantum Computation

Using a global rotation by 𝜃 about the z-axis in the spin sector of the Jordan–Wigner transformation rotates Pauli matrices 𝑋̂ and 𝑌̂ in the 𝑥−𝑦 -plane, while it adds a global complex phase to fermionic quantum states that have a fixed number of particles. With the right choice of angles, this relates expectation values of Pauli strings containing products of 𝑋̂ and 𝑌̂ to different products, which can be employed to reduce the number of measurements needed when simulating fermionic systems on a quantum computer. Here, we derive this symmetry and show how it can be applied to systems in Physics and Chemistry that involve Hamiltonians with only single-particle (hopping) and two-particle (interaction) terms. We also discuss the consequences of this for finding efficient measurement circuits in variational ground state preparation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Replica symmetry breaking in spin glasses in the replica-free Keldysh formalism

We show that the algebra of Parisi ultrametric matrices is recovered by the real-time, replica-free, Dyson-Keldysh equations of infinite-range quantum spin glasses in the late time glassy limit. This connects to earlier results on classical and quantum systems showing how ultrametricity emerges from the persistent slow aging dynamics of the glass phase. The stationary spin glass state thereby spontaneously breaks thermal symmetry, or the Kubo-Martin-Schwinger relation of a state in global thermal equilibrium. We describe the Keldysh path integral of the infinite-range Ising model in transverse and longitudinal fields, and in the context of the Landau expansion of the action functional, show how the long-time limit connects to the full replica symmetry breaking obtained in the equilibrium formalism. We also illustrate our formalism by applying it to the spherical quantum p p -spin model, which only exhibits one-step replica symmetry breaking.

Lang, Johannes (ORCID:0000000283533392)↗
DOE OSTI2024

Gauging staggered fermion shift symmetries

Staggered fermion shift symmetries correspond to translations of the fermion field within the unit cell of a hypercubic lattice. They satisfy an algebra and in four Euclidean dimensions can be related to a discrete subgroup of an S U ( 4 ) flavor symmetry which plays a crucial role in showing that staggered fermions lead to a theory of four degenerate Dirac fermions in the continuum limit. They are associated with the appearance of certain Z 2 valued global parameters. We propose a strategy to try to partially gauge these translation symmetries by allowing these parameters to vary locally in the lattice. To maintain invariance of the action requires the addition of Z 2 valued higher form lattice gauge fields. An analogous procedure can be carried out for reduced staggered fermions where the shifts correspond to a discrete subgroup of an S O ( 4 ) flavor symmetry. Published by the American Physical Society 2024

Catterall, Simon (ORCID:0000000327352682)↗
DOE OSTI2023

Symmetry-projected cluster mean-field theory applied to spin systems

We introduce S z spin-projection based on cluster mean-field theory and apply it to the ground state of strongly correlated spin systems. In cluster mean-fields, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is S z symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all S z sectors, breaking S z symmetry. In addition, a projection scheme is used to restore global S z , which gives rise to the S z spin-projected generalized cluster mean-field (S z GcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J 1 – J 2 and XXZ Heisenberg models. Furthermore, our results indicate that the new methods (GcMF and S z GcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.

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

Fast and scalable quantum Monte Carlo simulations of electron-phonon models

We introduce methodologies for highly scalable quantum Monte Carlo simulations of electron-phonon models, and report benchmark results for the Holstein model on the square lattice. The determinant quantum Monte Carlo (DQMC) method is a widely used tool for simulating simple electron-phonon models at finite temperatures, but incurs a computational cost that scales cubically with system size. Alternatively, near-linear scaling with system size can be achieved with the hybrid Monte Carlo (HMC) method and an integral representation of the Fermion determinant. Here, we introduce a collection of methodologies that make such simulations even faster. To combat "stiffness" arising from the bosonic action, we review how Fourier acceleration can be combined with time-step splitting. To overcome phonon sampling barriers associated with strongly-bound bipolaron formation, we design global Monte Carlo updates that approximately respect particle-hole symmetry. To accelerate the iterative linear solver, we introduce a preconditioner that becomes exact in the adiabatic limit of infinite atomic mass. Finally, we demonstrate how stochastic measurements can be accelerated using fast Fourier transforms. Here, these methods are all complementary and, combined, may produce multiple orders of magnitude speedup, depending on model details.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Delamination buckling - Theory and experiment

A Rayleigh-Ritz analysis is presented to determine the load or strain at which delamination buckling will occur for a composite laminate containing a single delamination. This delamination is assumed to be elliptical in shape, with local axes of symmetry which may be at an angle relative to the global plate axes. The laminate is assumed to be sujected to global loading which transforms to a loading with a relatively small shear component when taken about the local axes of the elliptical delamination. Special cases of this type of loading include uniaxial and biaxial compression. Possible bending-stretching coupling behavior of the delaminated region and the effect of Poisson's ratio mismatch between the delaminated and base region are investigated. Analytical predictions for delamination buckling loads are shown to correlate well with experimental results for a number of different geometries.

Davidson, B. D.↗
DOE OSTI2022

Simulating quantum mechanics with a $\theta$-term and an ’t Hooft anomaly on a synthetic dimension

A topological θ-term in gauge theories, including quantum chromodynamics in 3 +1 dimensions, gives rise to a sign problem that makes classical Monte Carlo simulations impractical. Quantum simulations are not subject to such sign problems and are a promising approach to studying these theories in the future. In the near term, it is interesting to study simpler models that retain some of the physical phenomena of interest and their implementation on quantum hardware. For example, dimensionally reducing gauge theories on small spatial tori produces quantum mechanical models which, despite being relatively simple to solve, retain interesting vacuum and symmetry structures from the parent gauge theories. We consider quantum mechanical particle-on-a-circle models, related by dimensional reduction to the 1 + 1d Schwinger model, that possess a θ-term and realize an ’t Hooft anomaly or global inconsistency at θ = π. These models also exhibit the related phenomena of spontaneous symmetry breaking and instanton-anti-instanton interference in real time. We propose an experimental scheme for the real-time simulation of a particle on a circle with a θ-term and a $\mathbb{Z}_n$ potential using a synthetic dimension encoded in a Rydberg atom. Simulating the Rydberg atom with realistic experimental parameters, we demonstrate that the essential physics can be well captured by the experiment, with expected behavior in the tunneling rate as a function of θ. Similar phenomena and observables can also arise in more complex quantum mechanical models connected to higher-dimensional non-Abelian gauge theories by dimensional reduction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1992

Cosmological texture is incompatible with Planck-scale physics

Nambu-Goldstone modes are sensitive to the effects of physics at energies comparable to the scale of spontaneous symmetry breaking. We show that as a consequence of this the global texture proposal for structure formation requires rather severe assumptions about the nature of physics at the Planck scale.

Holman, Richard↗