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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Scale covariance and G-varying cosmology. II - Thermodynamics, radiation, and the 3 K background

Within the framework of a scale-covariant theory of gravitation, a semiclassical description of particles and photons is given. Thermodynamic relations consistent with the modified conservation equations are derived. Application to a system of radiation shows that the observed 3-K background radiation can be interpreted, within the present framework, as a remnant of equilibrium radiation in the past. As the theory postulates a nonstandard coupling between gravitation and electrodynamics, the assumption that Einstein's theory of gravitation is unchanged forces modifications at the atomic level. The use of Minkowskian spacetime in atomic physics is found to be adequate only over small, but not large, time scales compared with the age of the universe. As a result, a relation between energy and the frequency of a free photon is demonstrated. Possible observational consequences of this relation are discussed.

Canuto, V. M.↗
DOE OSTI2021

Semiclassical shell-structure micro-macroscopic approach for the level density

Level density ρ(E,A) is derived for a one-component nucleon system with a given energy E and particle number A within the mean-field semiclassical periodic-orbit theory beyond the saddle-point method of the Fermi gas model. We obtain ρ∝I ν (S)/S ν , with I ν (S) being the modified Bessel function of the entropy S. Within the micro-macro-canonical approximation (MMA), for a small thermal excitation energy U, with respect to rotational excitations E rot , one obtains ν = 3/2 for ρ(E,A). In the case of excitation energy U larger than E rot but smaller than the neutron separation energy, one finds a larger value of ν = 5/2. A role of the fixed spin variables for rotating nuclei is discussed. The MMA level density ρ reaches the well-known grand-canonical ensemble limit (Fermi gas asymptote) for large S related to large excitation energies, and also reaches the finite micro-canonical limit for small combinatorial entropy S at low excitation energies (the constant “temperature” model). Fitting the ρ(E,A) of the MMA to the experimental data for low excitation energies, taking into account shell and, qualitatively, pairing effects, one obtains for the inverse level density parameter K a value which differs essentially from that parameter derived from data on neutron resonances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Celestial gluon amplitudes from the outside in

We show that, given a two-dimensional realization of the celestial OPE in self-dual Yang-Mills, we can find a scalar source around which scattering amplitudes replicate correlation functions computed from the 2D ‘gluon’ operators in a limit where a dynamic massless scalar decouples. We derive conditions on the two-dimensional three-point correlation function so that such a source exists and give two particular examples of this construction, one in which gluons are constructed from vertex operators in the semiclassical limit of Liouville theory and another in which the soft gluons arise from generalized free fields. Finally, we identify a bulk dual to the level of the boundary Kac-Moody algebra and discuss moving beyond the decoupling limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Electron transfer in a crystalline cytochrome with four hemes

Diffusion of electrons over distances on the order of 100 μm has been observed in crystals of a small tetraheme cytochrome (STC) from Shewanella oneidensis [J. Huang et al . J. Am. Chem. Soc. 142, 10459–10467 (2020)]. Electron transfer between hemes in adjacent subunits of the crystal is slower and more strongly dependent on temperature than had been expected based on semiclassical electron-transfer theory. Here, in this work, we explore explanations for these findings by molecular-dynamics simulations of crystalline and monomeric STC. New procedures are developed for including time-dependent quantum mechanical energy differences in the gap between the energies of the reactant and product states and for evaluating fluctuations of the electronic-interaction matrix element that couples the two hemes. Rate constants for electron transfer are calculated from the time- and temperature-dependent energy gaps, coupling factors, and Franck–Condon-weighted densities of states using an expression with no freely adjustable parameters. Back reactions are considered, as are the effects of various protonation states of the carboxyl groups on the heme side chains. Interactions with water are found to dominate the fluctuations of the energy gap between the reactant and product states. The calculated rate constant for electron transfer from heme IV to heme Ib in a neighboring subunit at 300 K agrees well with the measured value. However, the calculated activation energy of the reaction in the crystal is considerably smaller than observed. We suggest two possible explanations for this discrepancy. The calculated rate constant for transfer from heme I to II within the same subunit of the crystal is about one-third that for monomeric STC in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum mechanical theories of collision induced electronic transitions. Within the two state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases are considered: the avoided crossing between two potential surfaces; and the spin orbit interaction due to a P-2 halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗
DOE OSTI2020

The Page curve of Hawking radiation from semiclassical geometry

We consider a gravity theory coupled to matter, where the matter has a higher-dimensional holographic dual. In such a theory, finding quantum extremal surfaces becomes equivalent to finding the RT/HRT surfaces in the higher-dimensional theory. Using this we compute the entropy of Hawking radiation and argue that it follows the Page curve, as suggested by recent computations of the entropy and entanglement wedges for old black holes. The higher-dimensional geometry connects the radiation to the black hole interior in the spirit of ER=EPR. The black hole interior then becomes part of the entanglement wedge of the radiation. Inspired by this, we propose a new rule for computing the entropy of quantum systems entangled with gravitational systems which involves searching for “islands” in determining the entanglement wedge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Constraining braneworlds with entanglement entropy

We propose swampland criteria for braneworlds viewed as effective field theories of defects coupled to semiclassical gravity. We do this by exploiting their holographic interpretation. We focus on general features of entanglement entropies and their holographic calculations. Entropies have to be positive. Furthermore, causality imposes certain constraints on the surfaces that are used holographically to compute them, most notably a property known as causal wedge inclusion. As a test case, we explicitly constrain the Dvali-Gabadadze-Porrati term as a second-order-in-derivatives correction to the Randall-Sundrum action. We conclude by discussing the implications of these criteria for the question on whether entanglement islands in theories with massless gravitons are possible in Karch-Randall braneworlds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Firewalls from General Covariance

I define “horizon normalcy” as the approximate validity of semiclassical gravity and effective field theory for the description of observers that approach or cross a black hole horizon. If black holes return information, then horizon normalcy must fail substantially, at least in some global states. It has been proposed that horizon normalcy persists, so long as the Hawking radiation remains in a computationally simple state. Here I argue that state-dependent horizon normalcy—independent of the underlying mechanism and independent of the class of radiation states asserted to guarantee normalcy—requires a breakdown of general covariance far from the black hole, or else horizon normalcy will depend on the infinite future of the exterior. This is because the radiation can be in different states at different events, all spacelike to the horizon crossing event whose normalcy is at stake. I discuss a related effect in AdS/CFT, and I argue that its resolution by timefolds is of no help here.

General relativity↗
NASA NTRS1977

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum-mechanical theories of collision-induced electronic transitions. Within the two-state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases have been considered: (1) the avoided crossing between two potential surfaces, and (2) the spin-orbit interaction due to a 2P halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗
NASA NTRS1972

Measurement and calculation of the Stark-broadening parameters for the resonance lines of singly ionized calcium and magnesium.

The electron-impact-broadened profiles of the resonance lines of singly ionized calcium and magnesium have been measured using an electromagnetically driven shock tube and a rapid-scanning Fabry-Perot spectrometer. For an electron density of 10 to the 17th power per cu cm and a temperature of 19,000 K, we found the Lorentzian half-width of the Ca+ line to be 0.086 A plus or minus 10% and of the Mg+ line to be 0.044 A plus or minus 10%. Using the quantum-mechanical theory of Barnes and Peach and our semiclassical calculation for the calcium lines, we found that the temperature dependence of the theoretical curves is close to that measured, although both theories predict actual values which are somewhat large.

Jones, W. W.↗
DOE OSTI2025

Metric isometries, holography, and continuous symmetry operators

In the AdS/CFT correspondence, a topological symmetry operator of the boundary conformal field theory (CFT) is dual to a dynamical brane in the gravitational bulk. Said differently, this predicts a dynamical brane for every global symmetry of the boundary CFT. We analyze this correspondence for continuous symmetries which arise from a consistent truncation of isometries on the “internal” factor 𝑋 of AdS × 𝑋. In the extra-dimensional geometry, these branes are associated with various metric singularities and do not arise from wrapped D-branes. Boosts relate configurations interpreted as topological symmetry operators and heavy defects in the CFT. From the perspective of the AdS factor, with gravity and bulk gauge fields, these are codimension-2 Gukov-Witten-like vortex configurations which are the gravity duals of 0-form symmetry operators. These effective branes come with an asymptotic tension and size which is also fully fixed by bulk dynamics. We use this higher-dimensional perspective to determine properties of the worldvolume theory for these branes. We also discuss how these considerations generalize to more general quantum field theories engineered via string theory which need not possess a semiclassical gravity dual.

anomalies↗
DOE OSTI2024

Quantum theory of three-dimensional de Sitter space

We sketch the construction of a quantum model of three-dimensional de Sitter space, based on the covariant entropy principle and the observation that semiclassical physics suggests the possibility of a consistent theory of a finite number of unstable massive particles with purely gravitational interactions. Our model is holographic, finite, unitary, causal, plausibly exhibits fast scrambling, and qualitatively reproduces features of semiclassical de Sitter physics. In an appendix we outline some calculations that might lead to further tests of the model. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

A precision test of averaging in AdS/CFT

We reconsider the role of wormholes in the AdS/CFT correspondence. We focus on Euclidean wormholes that connect two asymptotically AdS or hyperbolic regions with $\mathbb{S}$ 1 × $\mathbb{S}$ d-1 boundary. There is no solution to Einstein’s equations of this sort, as the wormholes possess a modulus that runs to infinity. To find on-shell wormholes we must stabilize this modulus, which we can do by fixing the total energy on the two boundaries. Such a wormhole gives the saddle point approximation to a non-standard problem in quantum gravity, where we fix two asymptotic boundaries and constrain the common energy. Crucially the dual quantity does not factorize even when the bulk is dual to a single CFT, on account of the fixed energy constraint. From this quantity we extract a smeared version of the microcanonical spectral form factor. For a chaotic theory this quantity is self-averaging, i.e. well-approximated by averaging over energy windows, or over coupling constants. We go on to give a precision test involving the microcanonical spectral form factor where the two replicas have slightly different coupling constants. In chaotic theories this form factor is known to smoothly decay at a rate universally predicted in terms of one replica physics, provided that there is an average either over a window or over couplings. We compute the expected decay rate for holographic theories, and the form factor from a wormhole, and the two exactly agree for a wide range of two-derivative effective field theories in AdS. This gives a precision test of averaging in AdS/CFT. Our results interpret a number of confusing facts about wormholes and factorization in AdS and suggest that we should regard gravitational effective field theory as a mesoscopic description, analogous to semiclassical mesoscopic descriptions of quantum chaotic systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Linear magnetoconductivity as a probe of time-reversal symmetry breaking

Several optical experiments have shown that in magnetic materials, the principal axes of response tensors can rotate as an odd function of an applied magnetic field. Here we offer a microscopic explanation of this effect, and we propose a closely related dc transport phenomenon—an off-diagonal symmetric conductivity, linear and odd in a magnetic field, which we refer to as linear magnetoconductivity (LMC). Although LMC has the same functional dependence on a magnetic field as the Hall effect, its origin is fundamentally different: LMC requires time-reversal symmetry to be broken even before a magnetic field is applied, and is therefore a sensitive probe of magnetism. We demonstrate LMC in three different ways: via a tight-binding toy model, a density functional theory calculation on MnPSe3, and a semiclassical treatment. The third approach identifies two distinct mechanisms yielding LMC: momentum-dependent band magnetization and Berry curvature. Finally, we propose an experimental geometry suitable for detecting LMC, and we demonstrate its applicability using Landauer-Büttiker simulations. Our results emphasize the importance of measuring the full conductivity tensor in magnetic materials, and they introduce LMC as a new transport probe of symmetry.

Sunko, V↗
DOE OSTI2020

Including contributions from entanglement islands to the reflected entropy

Recent work has demonstrated the need to include contributions from entanglement islands when computing the entanglement entropy in quantum field theory states coupled to regions of semiclassical gravity. We propose a new formula for the reflected entropy that includes additional contributions from such islands. We derive this formula from the gravitational path integral by finding additional saddles that include generalized replica wormholes. We also demonstrate that our covariant formula satisfies all the inequalities required of the reflected entropy. We use this formula in various examples that demonstrate its relevance in illustrating the structure of multipartite entanglement that are invisible to the entropies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1981

Theory, computation, and application of exponential splines

A generalization of the semiclassical cubic spline known in the literature as the exponential spline is discussed. In actuality, the exponential spline represents a continuum of interpolants ranging from the cubic spline to the linear spline. A particular member of this family is uniquely specified by the choice of certain tension parameters. The theoretical underpinnings of the exponential spline are outlined. This development roughly parallels the existing theory for cubic splines. The primary extension lies in the ability of the exponential spline to preserve convexity and monotonicity present in the data. Next, the numerical computation of the exponential spline is discussed. A variety of numerical devices are employed to produce a stable and robust algorithm. An algorithm for the selection of tension parameters that will produce a shape preserving approximant is developed. A sequence of selected curve-fitting examples are presented which clearly demonstrate the advantages of exponential splines over cubic splines.

Mccartin, B. J.↗