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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 163 records · Page 9

Updated background simulations for DANCE, FP-14

With the installation of the Mark-IV target at LANSCE in 2022 significant changes of the beam-related backgrounds at DANCE are observed. The impact on the count rate at DANCE was discussed and simulated in an earlier report [4]. We report here on simulations, which follow the same general idea as in [4].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nuclear Physics Made Very, Very Easy

The fundamental approach to nuclear physics was prepared to introduce basic reactor principles to various groups of non-nuclear technical personnel associated with NERVA Test Operations. NERVA Test Operations functions as the field test group for the Nuclear Rocket Engine Program. Nuclear Engine for Rocket Vehicle Application (NERVA) program is the combined efforts of Aerojet-General Corporation as prime contractor, and Westinghouse Astronuclear Laboratory as the major subcontractor, for the assembly and testing of nuclear rocket engines. Development of the NERVA Program is under the direction of the Space Nuclear Propulsion Office, a joint agency of the U. S. Atomic Energy Commission and the National Aeronautics and Space Administration. This report is being reprinted for use in the U. S. Atomic Energy Commission and National Aeronautics and Space Administration educational and technology utilization programs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Local chiral EFT potentials in nuclei and neutron matter: results and issues

In recent years, the combination of advanced quantum Monte Carlo (QMC) methods and local interactions derived from chiral effective field theory (EFT) has been shown to provide a versatile and systematic approach to nuclear systems. Calculations at next-to-next-to-leading order in chiral EFT have lead to fascinating results for nuclei and nucleonic matter. On the one hand, ground-state properties of nuclei are well reproduced up to A $≤$ 16, even though these potentials have been fit to nucleon-nucleon scattering and few-body observables only. On the other hand, a reasonable description of neutron-matter properties emerges. While regulator functions applied to two- and three-nucleon forces are a necessary ingredient in these many-body calculations, the use of local regulators leads to a substantial residual regulator and cutoff dependence that increases current theoretical uncertainties. In this contribution, we review local chiral interactions, their applications, and QMC results for nuclei and neutron matter. In addition, we address regulator issues for such potentials and present a possible path forward.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Manipulating Quantum Systems: An Assessment of Atomic, Molecular, and Optical Physics in the United States

The AMO2020 decadal report took a forward-looking perspective on how the different elements that constitute AMO science provide a broad interdisciplinary driver for capitalizing on future opportunities in the scientific community. Goals for this project were to produce a report that (1) displays AMO science as a vital field that relates and unifies broad scientific endeavors; (2) discusses how AMO is supplying these and other fields with emerging technologies and fulfilling national needs; (3) identifies new opportunities, compelling scientific questions, and themes that have arisen from recent advances and accomplishments in the AMO field; (4) explains how AMO science meets workforce, educational, and other societal needs; and (5)makes recommendations for a strategy to fully realize the potential at the frontiers of AMO science. The study also compared the trajectory of AMO science in the US in the context of the international community of AMO science, in terms of cooperation, collaboration, and competition. The study resulted in a report composed in a style accessible to the non-scientist reader in order to understand how AMO science will lead the way in these fields and what AMO researchers want to learn in the coming decades and why.

74 ATOMIC AND MOLECULAR PHYSICS↗

van der Waals interaction as the starting point for an effective field theory

We consider the system of three 4 He atoms to assess whether a pure van der Waals potential can be used as a starting point for an effective field theory to describe three-body processes in ultracold atomic systems. Using a long-range van der Waals interaction in combination with short-distance two-body counterterms, we analyze the dependence of two- and three-body observables on the short-distance regulator that is required due to the singular nature of the van der Waals interaction. We benchmark our approach with results obtained with the realistic 4 He- 4 He LM2M2 potential and find good agreement. We furthermore show that in this effective field theory approach no three-body force is required at leading order and that universal van der Waals physics leads to a universal correlation between three-body observables in the absence of an Efimov three-body parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗

Logical quantum processor based on reconfigurable atom arrays

Suppressing errors is the central challenge for useful quantum computing, requiring quantum error correction (QEC) for large-scale processing. However, the overhead in the realization of error-corrected ‘logical’ qubits, in which information is encoded across many physical qubits for redundancy, poses substantial challenges to large-scale logical quantum computing. Here we report the realization of a programmable quantum processor based on encoded logical qubits operating with up to 280 physical qubits. Using logical-level control and a zoned architecture in reconfigurable neutral-atom arrays, our system combines high two-qubit gate fidelities, arbitrary connectivity, as well as fully programmable single-qubit rotations and mid-circuit readout. Operating this logical processor with various types of encoding, we demonstrate improvement of a two-qubit logic gate by scaling surface-code distance from d = 3 to d = 7, preparation of colour-code qubits with break-even fidelities, fault-tolerant creation of logical Greenberger–Horne–Zeilinger (GHZ) states and feedforward entanglement teleportation, as well as operation of 40 colour-code qubits. Finally, using 3D [[8,3,2]] code blocks, we realize computationally complex sampling circuits with up to 48 logical qubits entangled with hypercube connectivity with 228 logical two-qubit gates and 48 logical CCZ gates. We find that this logical encoding substantially improves algorithmic performance with error detection, outperforming physical-qubit fidelities at both cross-entropy benchmarking and quantum simulations of fast scrambling. These results herald the advent of early error-corrected quantum computation and chart a path towards large-scale logical processors.

74 ATOMIC AND MOLECULAR PHYSICS↗

Atomic, Molecular, and Optical Physics: Optical Excitation Function of H(1s-2p) Produced by electron Impact from Threshold to 1.8 keV

The optical excitation function of prompt Lyman-Alpha radiation, produced by electron impact on atomic hydrogen, has been measured over the extended energy range from threshold to 1.8 keV. Measurements were obtained in a crossed-beams experiment using both magnetically confined and electrostatically focused electrons in collision with atomic hydrogen produced by an intense discharge source. A vacuum-ultraviolet mono- chromator system was used to measure the emitted Lyman-Alpha radiation. The absolute H(1s-2p) electron impact excitation cross section was obtained from the experimental optical excitation function by normalizing to the accepted optical oscillator strength, with corrections for polarization and cascade. Statistical and known systematic uncertainties in our data range from +/- 4% near threshold to +/- 2% at 1.8 keV. Multistate coupling affecting the shape of the excitation function up to 1 keV impact energy is apparent in both the present experimental data and present theoretical results obtained with convergent close- coupling (CCC) theory. This shape function effect leads to an uncertainty in absolute cross sections at the 10% level in the analysis of the experimental data. The derived optimized absolute cross sections are within 7% of the CCC calculations over the 14 eV-1.8 keV range. The present CCC calculations converge on the Bethe- Fano profile for H(1s-2p) excitation at high energy. For this reason agreement with the CCC values to within 3% is achieved in a nonoptimal normalization of the experimental data to the Bethe-Fano profile. The fundamental H(1s-2p) electron impact cross section is thereby determined to an unprecedented accuracy over the 14 eV - 1.8 keV energy range.

James, G. K.↗

Quantum Simulation of Open Quantum Systems Using a Unitary Decomposition of Operators

Electron transport in realistic physical and chemical systems often involves the nontrivial exchange of energy with a large environment, requiring the definition and treatment of open quantum systems. Because the time evolution of an open quantum system employs a nonunitary operator, the simulation of open quantum systems presents a challenge for universal quantum computers constructed from only unitary operators or gates. Here, we present a general algorithm for implementing the action of any nonunitary operator on an arbitrary state on a quantum device. We show that any quantum operator can be exactly decomposed as a linear combination of at most four unitary operators. We demonstrate this method on a two-level system in both zero and finite temperature amplitude damping channels. Furthermore, the results are in agreement with classical calculations, showing promise in simulating nonunitary operations on intermediate-term and future quantum devices.

74 ATOMIC AND MOLECULAR PHYSICS↗

Strong-field physics in three-dimensional topological insulators

We investigate theoretically the strong-field regime of light-matter interactions in the topological-insulator class of quantum materials. In particular, we focus on the process of nonperturbative high-order harmonic generation from the paradigmatic three-dimensional topological insulator bismuth selenide (Bi 2 Se 3 ) subjected to intense midinfrared laser fields. We analyze the contributions from the spin-orbit-coupled bulk states and the topological surface bands separately and reveal a major difference in how their harmonic yields depend on the ellipticity of the laser field. Furthermore, bulk harmonics show a monotonic decrease in their yield as the ellipticity increases, in a manner reminiscent of high harmonic generation in gaseous media. However, the surface contribution exhibits a highly nontrivial dependence, culminating with a maximum for circularly polarized fields. We attribute the observed anomalous behavior to (i) the enhanced amplitude and the circular pattern of the interband dipole and the Berry connections in the vicinity of the Dirac point and (ii) the influence of the higher-order, hexagonal warping terms in the Hamiltonian, which are responsible for the hexagonal deformation of the energy surface at higher momenta. The latter are associated directly with spin-orbit-coupling parameters. Our results thus establish the sensitivity of strong-field-driven high harmonic emission to the topology of the band structure as well as to the manifestations of spin-orbit interaction.

74 ATOMIC AND MOLECULAR PHYSICS↗

Emergence of pseudoresonance in high-intensity resonant inelastic x-ray scattering

We report resonant inelastic x-ray scattering (RIXS) spectra of neon atoms interacting with intense x-ray pulses generated using an x-ray free-electron laser (XFEL). We find that an unexpected peak emerges near the 𝐾⁢𝛼 line of Ne, which does not coincide with any physical resonances of neon ions. We perform theoretical calculations based on a quantum-state-resolved rate-equation approach with x-ray-induced processes including possible resonant excitations. Our dynamics simulations demonstrate that a sequence of multiple resonant photoabsorption events are involved and the interplay of those multiple resonances in combination with the relatively large spectral bandwidth of XFEL radiation leads to the emergent resonance-like structure at a position where no resonances exist. Our finding offers critical guidance for future applications of high-intensity RIXS at XFEL facilities.

74 ATOMIC AND MOLECULAR PHYSICS↗

Entanglement-enhanced matter-wave interferometry in a high-finesse cavity

An ensemble of atoms can operate as a quantum sensor by placing atoms in a superposition of two different states. Upon measurement of the sensor, each atom is individually projected into one of the two states. Creating quantum correlations between the atoms, that is entangling them, could lead to resolutions surpassing the standard quantum limit set by projections of individual atoms. Large amounts of entanglement involving the internal degrees of freedom of laser-cooled atomic ensembles have been generated in collective cavity quantum-electrodynamics systems, in which many atoms simultaneously interact with a single optical cavity mode. Here we report a matter-wave interferometer in a cavity quantum-electrodynamics system of 700 atoms that are entangled in their external degrees of freedom. In our system, each individual atom falls freely under gravity and simultaneously traverses two paths through space while entangled with the other atoms. In this work, we demonstrate both quantum non-demolition measurements and cavity-mediated spin interactions for generating squeezed momentum states with directly observed sensitivity $3.4^{+1.1}_{–0.9}$dB and $2.5^{+0.6}_{–0.6}$dB below the standard quantum limit, respectively. We successfully inject an entangled state into a Mach–Zehnder light-pulse interferometer with directly observed sensitivity $1.7^{+0.5}_{–0.5}$dB below the standard quantum limit. The combination of particle delocalization and entanglement in our approach may influence developments of enhanced inertial sensors, searches for new physics, particles and fields, future advanced gravitational wave detectors and accessing beyond mean-field quantum many-body physics.

74 ATOMIC AND MOLECULAR PHYSICS↗

Optimized recursion relation for the computation of partition functions in the superconfiguration approach

Partition functions of a canonical ensemble of non-interacting bound electrons are a key ingredient of the super-transition-array approach to the computation of radiative opacity. A few years ago, we published a robust and stable recursion relation for the calculation of such partition functions. In this work, we propose an optimization of the latter method and explain how to implement it in practice. The formalism relies on the evaluation of elementary symmetric polynomials, which opens the way to further improvements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A note on efficiently generating ionic configurations for opacity calculations

When calculating the spectral opacity of hot dense plasmas one often encounters the need to generate a list of detailed ionic configurations of bound states for each ion stage in the plasma. Here we present here a non-recursive algorithm for the efficient construction of such a list of states.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Parametric tuning of quantum phase transitions in ultracold reactions

Advances in atomic physics have led to the possibility of a coherent transformation between ultracold atoms and molecules including between completely bosonic condensates. Such transformations are enabled by the magneto-association of atoms at a Feshbach resonance which results in a passage through a quantum critical point. In this study, we show that the presence of generic interaction between the constituent atoms and molecules can fundamentally alter the nature of the critical point, change the yield of the reaction and the order of the consequent phase transition. We find that the correlations introduced by this interaction induce nontrivial many-body physics such as coherent oscillations between atoms and molecules, and a selective formation of squeezed molecular quantum states and quantum cat states. We provide analytical and numerical descriptions of these effects, along with scaling laws for the reaction yield in non-adiabatic regimes.

36 MATERIALS SCIENCE↗

Understanding atom probe’s analytical performance for iron oxides using correlation histograms and ab initio calculations

Abstract Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (10 10 Vm −1 ), makes them prone to dissociation with or without an exchange of energy amongst them. These processes can affect the analytical performance of atom probe tomography (APT). For instance, neutral molecules formed through dissociation may not be detected at all or with a time of flight no longer related to their mass, causing their loss from the analysis. Here, we evaluated the changes in the measured composition of FeO, Fe 2 O 3 and Fe 3 O 4 across a wide range of analysis conditions. Possible dissociation reactions are predicted by density-functional theory calculations considering the spin states of the molecules. The energetically favoured reactions are traced on to the multi-hit ion correlation histograms, to confirm their existence within experiments, using an automated Python-based routine. The detected reactions are carefully analyzed to reflect upon the influence of these neutrals from dissociation reactions on the performance of APT for analysing iron oxides.

74 ATOMIC AND MOLECULAR PHYSICS↗

Transmission spectroscopy of CF 4 molecules in intense x-ray fields

The nonlinear interaction of x rays with matter is at the heart of understanding and controlling ultrafast molecular dynamics from an atom-specific viewpoint, providing new scientific and analytical opportunities to explore the structure and dynamics of small quantum systems. At increasingly high x-ray intensity, the sensitivity of ultrashort x-ray pulses to specific electronic states and emerging short-lived transient intermediates is of particular relevance for our understanding of fundamental multiphoton absorption processes. In this work, intense x-ray free-electron laser (XFEL) pulses at the European XFEL are combined with a gas cell and grating spectrometer for a high-intensity transmission spectroscopy study of multiphoton-induced ultrafast molecular fragmentation dynamics in CF 4 . This approach unlocks the direct intrapulse observation of transient fragments, including neutral atoms, by their characteristic absorption lines in the transmitted broadband x-ray spectrum. The dynamics with and without initially producing fluorine 𝐾-shell holes are studied by tuning the central photon energy. The absorption spectra are measured at different FEL intensities to observe nonlinear effects. Transient isolated fluorine atoms and ions are spectroscopically recorded within the ultrashort pulse duration of a few tens of femtoseconds. An isosbestic point that signifies the correlated transition between intact neutral CF 4 molecules and charged atomic fragments is observed near the fluorine 𝐾 edge. The dissociation dynamics and the multiphoton absorption-induced dynamics encoded in the spectra are theoretically interpreted. Overall, this study demonstrates the potential of high-intensity x-ray transmission spectroscopy to study ultrafast molecular dynamics with sensitivity to specific intermediate species and their electronic structure.

74 ATOMIC AND MOLECULAR PHYSICS↗

Nuclear and neutron-star matter from local chiral interactions [Slides]

We use quantum Monte Carlo (QMC) methods to perform exact ab-initio calcula1ons of the nuclear equation of state (EOS) and the symmetry energy. We employ local chiral interactions up to next-to-next-to leading (N 2 LO) fit to few-body observables only, and provide a comprehensive uncertainty quantifica1on.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Searches for Violations of Fundamental Symmetries [Slides]

The Standard Model of Particle Physics is currently the best theory to describe the most basic building blocks of the Universe. However, it does not explain the complete picture. We need physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗