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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Chirality transfer and chiral turbulence in gauge theories

Chirality transfer between fermions and gauge fields plays a crucial role for understanding the dynamics of anomalous transport phenomena such as the Chiral Magnetic Effect. In this proceeding we present a first principles study of these processes based on classical-statistical real-time lattice simulations of strongly coupled QED (e 2 N f = 64). Furthermore, our simulations demonstrate that a chirality imbalance in the fermion sector triggers chiral plasma instabilities in the gaugefield sector, which ultimately lead to the generation of long range helical magnetic fields via an self-similar turbulent cascade of the magnetic helicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Detailed comparison of renormalization scale-setting procedures based on the principle of maximum conformality

The Principle of Maximum Conformality (PMC), which generalizes the conventional Gell-Mann-Low method for scale-setting in perturbative QED to non-Abelian QCD, provides a rigorous method for achieving unambiguous scheme-independent, fixed-order predictions for physical observables consistent with the principles of the renormalization group. In addition to the original multi-scale-setting approach (PMCm), two variations of the PMC have been proposed to deal with ambiguities associated with the uncalculated higher order terms in the pQCD series, i.e. the single-scale-setting approach (PMCs) and the procedures based on ``intrinsic conformality" (PMC ∞ ). In this paper, we will give a detailed comparison of these PMC approaches by comparing their predictions for three important quantities R e+e– , R τ , and $Γ(H→b\bar{b}$) up to four-loop pQCD corrections. The PMCs approach determines an overall effective running coupling α s (Q) by the recursive use of the renormalization group equation, whose argument Q represents the actual momentum flow of the process. Our numerical results show that the PMCs method, which involves a somewhat simpler analysis, can serve as a reliable substitute for the full multi-scale PMCm method, and that it leads to more precise pQCD predictions with small residual scale dependence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Basis light-front quantization approach to photon

We solve for the light-front wave functions (LFWFs) of the physical photon from the eigenvectors of the light-front quantum electrodynamics (QED) Hamiltonian with the aim to determine its bare photon and electron-positron Fock components. We then employ the resulting LFWFs to compute the transverse momentum dependent parton distributions (TMDs) and the generalized parton distributions (GPDs) at zero skewness of the photon. The TMDs are found to be in excellent agreement with the lowest-order perturbative results calculated using the electron-positron quantum fluctuation of the photon. The GPDs are also consistent with the perturbative calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The anomalous magnetic moment of the muon in the Standard Model: an update

We present the current Standard Model (SM) prediction for the muon anomalous magnetic moment, a μ , updating the first White Paper (WP20) [1]. The pure QED and electroweak contributions have been further consolidated, while hadronic contributions continue to be responsible for the bulk of the uncertainty of the SM prediction. Significant progress has been achieved in the hadronic light-by-light scattering contribution using both the data-driven dispersive approach as well as lattice-QCD calculations, leading to a reduction of the uncertainty by almost a factor of two. The most important development since WP20 is the change in the estimate of the leading-order hadronic-vacuum-polarization (LO HVP) contribution. A new measurement of the e + e - → π + π - cross section by CMD-3 has increased the tensions among data-driven dispersive evaluations of the LO HVP contribution to a level that makes it impossible to combine the results in a meaningful way. At the same time, the attainable precision of lattice-QCD calculations has increased substantially and allows for a consolidated lattice-QCD average of the LO HVP contribution with a precision of about 0.9%. Adopting the latter in this update has resulted in a major upward shift of the total SM prediction, which now reads $a^{SM}_{μ}$ = 116 592 033 (62) x $10^{-11}$ (530 ppb). When compared against the current experimental average based on the E821 experiment and runs 1–6 of E989 at Fermilab, one finds $a^{exp}_{μ} -a^{SM}_{μ}= 38 (63)$ x $10^{-11}$, which implies that there is no tension between the SM and experiment at the current level of precision. The final precision of E989 (127 ppb) is the target of future efforts by the Theory Initiative. The resolution of the tensions among data-driven dispersive evaluations of the LO HVP contribution will be a key element in this endeavor.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Nucleon form factors and parton distributions in nonlocal chiral effective theory

In this work, we present a review of recent applications of nonlocal chiral effective theory to hadron structure studies. Starting from a nonlocal meson-baryon effective chiral Lagrangian, we show how the introduction of a correlation function representing the finite extent of hadrons regularizes the meson loop integrals and introduces momentum dependence in vertex form factors in a gauge invariant manner. We apply the framework to the calculation of nucleon electromagnetic form factors, unpolarized and polarized parton distributions, as well as transverse momentum dependent distributions and generalized parton distributions. Assuming that the nonlocal behavior is a general property of all interactions, we also discuss the application to the lepton anomalous magnetic moment in nonlocal QED.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Site Suitability and Air Pollution Impacts of Composting Infrastructure for California’s Organic Waste Diversion Law

The emerging field of polaritonic chemistry explores the behavior of molecules under strong coupling with cavity modes. Despite recent developments in ab initio polaritonic methods for simulating polaritonic chemistry under electronic strong coupling, their capabilities are limited, especially in cases where the molecule also features strong electronic correlation. To bridge this gap, we have developed a novel method for cavity QED calculations utilizing the Density Matrix Renormalization Group (DMRG) algorithm in conjunction with the Pauli–Fierz Hamiltonian. Our approach is applied to investigate the effect of the cavity on the S0–S1 transition of n-oligoacenes, with n ranging from 2 to 5, encompassing 22 fully correlated π orbitals in the largest pentacene molecule. Our findings indicate that the influence of the cavity intensifies with larger acenes. Additionally, we demonstrate that, unlike the full determinantal representation, DMRG efficiently optimizes and eliminates excess photonic degrees of freedom, resulting in an asymptotically constant computational cost as the photonic basis increases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Bond Dissociation Energies and Electronic Calculations on the Actinide Halides ThX and UX (X = Cl, Br, I)

Resonant two-photon ionization spectroscopy has been used to locate predissociation thresholds in the spectra of the actinide halides ThX and UX, where X = Cl, Br, and I. These predissociation thresholds are identified as the bond dissociation energies (BDEs) of the molecules. The resulting values show very similar BDEs for the corresponding ThX and UX species, with the thorium molecules being slightly more strongly bound: D 0 (ThCl) = 5.077(6) eV, D 0 (ThBr) = 4.391(4) eV, D 0 (ThI) = 3.537(8) eV, D 0 (UCl) = 4.989(3) eV, D 0 (UBr) = 4.313(3) eV, and D 0 (UI) = 3.449(8) eV. Here, the estimated error limit is given in parentheses in units of the last reported digit. Spinor-based coupled cluster calculations have also been carried out on the halides of this work, including also ThF and UF. Here, the final D 0 values after including contributions due to basis set incompleteness, outer-core-correlation, picture-change, and QED effects are within 0.04 eV of the present experimental values in each case.

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

Bond Dissociation Energies of the Actinide Halides AnX, An = Ac–Lr and X = F–I, Utilizing Relativistic Composite Coupled Cluster Approaches

Bond dissociation energies (BDEs) have been calculated for the set of actinide halides AnX with An=Ac, Pa, and Np-Lr and X=F-I. Two composite thermochemistry methods based on the Feller-Peterson-Dixon (FPD) approach have been utilized, one involving spinor-based relativistic CCSD(T) calculations where spin-orbit (SO) was included at the orbital level and another using scalar relativistic CCSD(T) with a posteriori SO contributions based on 2-component multireference configuration interaction calculations. The method that was chosen for a given actinide halide was based on which representation yielded the best single determinant reference determinant for the coupled cluster calculation. The spinor-based method was chosen for all cases except for AmX, CmX, and BkX. Both composite approaches included contributions accounting for basis set truncation, outer-core correlation, the Gaunt interaction, and QED. The scalar FPD results, as well as the spinor-based calculations for AcF, also included higher order electron correlation up through CCSDT(Q). In addition to BDEs, CCSD(T) equilibrium bond lengths, harmonic frequencies, and vibrational anharmonicity constants are reported for all species. Last, the FPD BDEs for the fluorides were used to confirm the trend across the actinide series previously predicted by Gibson using bonding models based atomic promotion energies that provide a single 6d electron for bonding. In particular the local minimum in the BDEs at AmF is confirmed in the present calculations. Furthermore, the BDEs for LrX are predicted to be slightly larger than those of AcX, making them the largest in the actinide halide series.

Actinides↗
DOE OSTI2026

A Hybrid Molecular–Nanophotonic Platform for On-Chip Cavity Quantum Electrodynamics and Collective Interactions

We present a hybrid solid-state cavity quantum electrodynamics (QED) platform that integrates a high density of coherent organic molecules with high-quality-factor nanophotonics. Thin anthracene crystals doped with dibenzoterrylene (DBT) are mechanically transferred onto prefabricated silicon nitride photonic crystal cavities, preserving both the cavity quality and molecular coherence. This approach decouples emitter synthesis from nanofabrication, providing a pathway for integrating other types of emitters. The high density of molecular emitters results in up to ten molecules being coupled to a single cavity. By tuning pairs of molecules into resonance within a single cavity mode, we observe cavity-mediated interactions in both dispersive and dissipative regimes. Furthermore, these results establish an accessible route to deterministic on-chip single- and multiphoton sources.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Creating heralded hyper-entangled photons using Rydberg atoms

Entangled photon pairs are a fundamental component for testing the foundations of quantum mechanics, and for modern quantum technologies such as teleportation and secured communication. Current state-of-the-art sources are based on nonlinear processes that are limited in their efficiency and wavelength tunability. This motivates the exploration of physical mechanisms for entangled photon generation, with a special interest in mechanisms that can be heralded, preferably at telecommunications wavelengths. Here we present a mechanism for the generation of heralded entangled photons from Rydberg atom cavity quantum electrodynamics (cavity QED). We propose a scheme to demonstrate the mechanism and quantify its expected performance. The heralding of the process enables non-destructive detection of the photon pairs. The entangled photons are produced by exciting a rubidium atom to a Rydberg state, from where the atom decays via two-photon emission (TPE). A Rydberg blockade helps to excite a single Rydberg excitation while the input light field is more efficiently collectively absorbed by all the atoms. The TPE rate is significantly enhanced by a designed photonic cavity, whose many resonances also translate into high-dimensional entanglement. The resulting high-dimensionally entangled photons are entangled in more than one degree of freedom: in all of their spectral components, in addition to the polarization—forming a hyper-entangled state, which is particularly interesting in high information capacity quantum communication. We characterize the photon comb states by analyzing the Hong-Ou-Mandel interference and propose proof-of-concept experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

The electron affinity of astatine

One of the most important properties influencing the chemical behavior of an element is the electron affinity (EA). Among the remaining elements with unknown EA is astatine, where one of its isotopes, 211 At, is remarkably well suited for targeted radionuclide therapy of cancer. With the At - anion being involved in many aspects of current astatine labeling protocols, the knowledge of the electron affinity of this element is of prime importance. Here we report the measured value of the EA of astatine to be 2.41578(7) eV. This result is compared to state-of-the-art relativistic quantum mechanical calculations that incorporate both the Breit and the quantum electrodynamics (QED) corrections and the electron–electron correlation effects on the highest level that can be currently achieved for many-electron systems. The developed technique of laser-photo detachment spectroscopy of radioisotopes opens the path for future EA measurements of other radioelements such as polonium, and eventually super-heavy elements.

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

Trade off-free entanglement stabilization in a superconducting qutrit-qubit system

Abstract Quantum reservoir engineering is a powerful framework for autonomous quantum state preparation and error correction. However, traditional approaches to reservoir engineering are hindered by unavoidable coherent leakage out of the target state, which imposes an inherent trade off between achievable steady-state state fidelity and stabilization rate. In this work we demonstrate a protocol that achieves trade off-free Bell state stabilization in a qutrit-qubit system realized on a circuit-QED platform. We accomplish this by creating a purely dissipative channel for population transfer into the target state, mediated by strong parametric interactions coupling the second-excited state of a superconducting transmon and the engineered bath resonator. Our scheme achieves a state preparation fidelity of 84% with a stabilization time constant of 339 ns, leading to a 54 ns error-time product in a solid-state quantum information platform.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Non-Markovian relaxation spectroscopy of fluxonium qubits

Recent studies have shown that parasitic two-level systems (TLS) in superconducting qubits, which are a leading source of decoherence, can have relaxation times longer than the qubits themselves. However, the standard techniques used to characterize qubit relaxation is only valid for measuring T 1 under the Born-Markov approximation and could mask environmental memory effects in practice. Here, we introduce two-timescale relaxometry, a technique to probe the qubit and environment relaxation simultaneously and efficiently. We apply it to high-coherence fluxonium qubits over a frequency range of 0.1-0.4 GHz, and reveal a discrete spectrum of TLS with millisecond lifetimes. Our analysis of the spectrum is consistent with a random distribution of TLS in the aluminum oxide tunnel barrier of the Josephson junction chain of the fluxonium, with a spectral and volumetric density and average electric dipole similar to previous TLS studies at much higher frequencies. Our study suggests that investigating and mitigating TLS in the junction chain is crucial to the development of various types of noise-protected qubits in circuit QED.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Strong Electromagnetic Fields in Heavy Ion Collisions

Photons play a pivotal role in both theoretical and applied physics, ranging from elementary particle studies to practical technologies. This article explores how ultra-peripheral collisions of heavy ions act as sources of nearly real photons, enabling the investigation of a wide range of photon-induced processes. By applying the equivalent photon approximation, one can study nuclear structure, QED phenomena, and potential new physics, all in a backgroundsuppressed environment.

Bertulani, C. A. [East Texas A & M Univ., Commerce↗
DOE OSTI2024

Cavity-modified molecular dipole switching dynamics

Polaritonic states, which are formed by resonances between a molecular excitation and the photonic mode of a cavity, have a number of useful properties that offer new routes to control molecular photochemistry using electric fields. To provide a theoretical description of how polaritonic states affect the real-time electron dynamics in molecules, a new method is described where the effects of strong light–molecule coupling are implemented using real-time electronic structure theory. The coupling between the molecular electronic states and the cavity is described by the Pauli–Fierz Hamiltonian, and transitions between polaritonic states are induced via an external time-dependent electric field using time-dependent configuration interaction (TDCI) theory, producing quantum electrodynamics TDCI (QED-TDCI). This method is used to study laser-induced ultrafast charge transfer and dipole-switching dynamics of the LiCN molecule inside a cavity. The increase in cavity coupling strength is found to have a significant impact on the energies and transition dipole moments of the molecule–cavity system. The convergence of the polaritonic state energies as a function of the number of included electronic and photonic basis states is discussed.

Chemistry↗
DOE OSTI2025

Topology and spectral entanglement in cavity-mediated photon scattering

Here, we develop a microscopic diagrammatic theory for cavity-mediated photon scattering in a topological one-dimensional insulator described by the Su–Schrieffer–Heeger model. Within the velocity-gauge formulation, we derive the photon self-energy and vertex corrections arising from virtual electron–hole excitations coupled to a quantized cavity mode, and we evaluate the resulting polariton dispersion and two-photon correlation spectra. Our analysis shows that vacuum fluctuations of the cavity field induce a momentum-resolved self-energy that mixes conduction and valence bands through virtual photon exchange, producing interband hybridization and avoided crossings in the electronic dispersion. This “cavity dressing” is symmetry-dependent, vanishing at the Brillouin-zone edge where the dipole matrix element is zero, and its strength is controlled by the spatial coherence range ζ ≈ (l c /a) 2 of virtual excitations. We further examine how the cavity modifies nonlinear optical observables, including the Kerr nonlinearity and biphoton spectral entanglement, and identify the regimes where these effects become sensitive to the underlying topological phase. The theoretical framework established here provides a unified description of light–matter coupling in topological and polaritonic systems, bridging solid-state cavity QED with the emerging field of cavity-modified quantum materials. Our results suggest that engineered photonic environments can coherently reshape the electronic landscape of topological insulators, offering new routes to control collective electronic and optical phenomena through vacuum-field fluctuations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Exploring J/ψ Production Mechanism at the Future Electron-Ion Collider

We propose to use transverse momentum p T distribution of J/ψ production at the future Electron Ion Collider (EIC) to explore the production mechanism of heavy quarkonia in high energy collisions. We apply QCD and QED collinear factorization to the production of a $c\bar{c}$ pair at high p T , and non-relativistic QCD factorization to the hadronization of the pair to a J/ψ. We evaluate J/ψ p T -distribution at both leading and next-to-leading order in strong coupling, and show that production rates for various color-spin channels of a $c\bar{c}$ pair in electron-hadron collisions are very different from that in hadron-hadron collisions, which provides a strong discriminative power to determine various transition rates for the pair to become a J/ψ. We predict that the J/ψ produced in electron-hadron collisions is likely unpolarized, and the production is an ideal probe for gluon distribution of colliding hadron (or nucleus). We find that the J/ψ production is dominated by the color-octet channel, providing an excellent probe to explore the gluon medium in large nuclei at the EIC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Fast and flexible neutrino decoupling. Part I. The Standard Model

Cosmological determinations of the number of relativistic neutrino species, N eff , are becoming increasingly accurate, and further improvements are expected both from CMB and BBN data. Given this context, we update the evaluation of N eff and the current entropy density via the momentum-averaged approach. This allows for a numerically fast description of neutrino decoupling, easily portable to an array of new physics scenarios. We revisit all aspects of this approach, including collision terms with full electron mass dependence, finite temperature QED corrections to the equation of state, neutrino oscillations, and the modelling of neutrino ensembles with effective chemical potentials. For integrated observables, our results differ by less than 0.04% from the solution of the momentum-dependent evolution equation. We outline how to extend the approach to BSM settings, and will highlight its power in Part II. To facilitate the practical implementation, we release a Mathematica and python code within nudec_BSM_v2, easily linkable to BBN codes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗