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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hybrid Basis and Multi-Center Grid Method for Strong-Field Processes

We present a time-dependent framework that combines a hybrid basis, consisting of Gaussian-type orbitals (GTOs) and finite-element discrete-variable representation (FEDVR) functions, with a multicenter grid to simulate strong-field and attosecond dynamics in atoms and molecules. The method incorporates the construction of the orthonormal hybrid basis, the evaluation of electronic integrals, a unitary time-propagation scheme, and the extraction of optical and photoelectron observables. Its accuracy and robustness are benchmarked on one-electron systems such as atomic hydrogen and the dihydrogen cation (H$^+_2$) through comparisons with essentially-exact reference results for bound-state energies, high-harmonic generation spectra, photoionization cross sections, and photoelectron momentum distributions. This work establishes the groundwork for its integration with quantum-chemistry methods, which is already operational but will be detailed in future work, thereby enabling ab initio simulations of correlated polyatomic systems in intense ultrafast laser fields.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Department of Energy Project DE-SC0012198: Probing Electron-Molecule Scattering with HHG: Theory and Experiment (Final Report)

The study of the motion of atoms in molecules is important to understanding many areas of physical and life sciences. Such motion occurs on many different times scales, with electronic motion occurring on a sub-femtosecond time scale, and simple vibrational motion in tens to hundreds of femtoseconds. One way to follow such processes in real time is by the use of shortpulsed lasers, and in particular by studying time-resolved photoionization and the related process of high-harmonic generation (HHG). Thus there has been much effort to develop the tools necessary to probe molecular systems using short pulse lasers and understanding the sensitivity of the different possible probes to the time dependent geometric structure as well as the electronic structure of molecules. Our research has particularly focused on the connection between high-field processes and the more traditional weak field photoionization processes. Strong field and weak field processes can be connected through models that involve the same matrix elements. We have demonstrated in our study of HHG from SF 6 that the spectrum is sensitive to the interplay between the angular dependence of the ionization step and recombination step. In our study of rescattering spectroscopy, we have shown that with a combination of experiment and theory, we can use this high-field spectroscopy to determine molecular structure in molecules such as C 2 H 4 . We have also developed new computational tools based on overset grids to enable studies on larger molecular systems which use much more robust numerical approaches so that the resulting code can be a tool that non-specialists can use to study related systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Quantum processes in strong magnetic fields

Quantum-mechanical processes that occur in a piece of matter embedded in a magnetic field with a strength of the order of 10 to the 13th power G are described which either are entirely due to the presence of the field or become modified because of it. The conversion of rotational energy into electromagnetic energy in pulsars is analyzed as a mechanism for producing such a field, and it is shown that a strong magnetic field is not sufficient for quantum effects to play a significant role; in addition, the density must be adjusted to be as low as possible. The pressure and energy density of a free electron gas in a uniform magnetic field are evaluated, neutron beta-decay in the presence of a strong field is examined, and the effect of such a field on neutrino reactions is discussed. The thermal history of a neutron star is studied, and it is concluded that a strong magnetic field helps to increase the cooling rate of the star by producing new channels through which neutrinos can carry away energy.

Canuto, V.↗
DOE OSTI2022

Manipulating and Probing Ultrafast Atomic and Molecular Dynamics (Final Report)

This program has focused on the exploration and control of dynamics in atoms, small molecules, clusters, and micro- or nano-structures following ultrafast excitation and/or driven by strong oscillating fields. In our principal experiments, gas phase atoms and molecules were exposed to short pulses of electromagnetic radiation with frequencies ranging from THz into the XUV spectral regions, and with durations from picoseconds to attoseconds. The pulses coherently induce and/or probe dynamics in the electronic, vibrational, and rotational degrees of freedom of the targets. The overarching goal of the various projects has been to exploit strong-field processes and/or implement novel ultrafast techniques for manipulating and probing coherent electronic and nuclear motion. Typically, the relevant system evolution occurs over attosecond to picosecond timescales. In doing so, we have gained a more complete picture of correlated multi-particle dynamics in atoms, molecules, and other complex systems and expanded the toolbox of useful techniques for manipulating and probing those dynamics. Grant funds were primarily used to: (i) pay salaries and fringe benefits for the PI and postdocs and stipends, tuition, and health care costs for graduate students; (ii) cover travel expenses for the PI, postdocs, and students to attend and participate in professional meetings, conferences, and workshops; and (iii) purchase research materials, supplies, and equipment required for experiments. The research resulted in the publication of 24 peer reviewed articles (including 1 in Nature Physics, 2 in Nature Communications, 7 in Physical Review Letters, and 12 in Physical Review A), and 4 PhD dissertations. The specific results from different funding periods are summarized separately in the main report.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1984

Physical processes in the strong magnetic fields of accreting neutron stars

Analytical formulae are fitted to observational data on physical processes occurring in strong magnetic fields surrounding accreting neutron stars. The propagation of normal modes in the presence of a quantizing magnetic field is discussed in terms of a wave equation in Fourier space, quantum electrodynamic effects, polarization and mode ellipticity. The results are applied to calculating the Thomson scattering, bremsstrahlung and Compton scattering cross-sections, which are a function of the frequency, angle and polarization of the magnetic field. Numerical procedures are explored for solving the radiative transfer equations. When applied to modeling X ray pulsars, a problem arises in the necessity to couple the magnetic angle and frequency dependence of the cross-sections with the hydrodynamic equations. The use of time-dependent averaging and approximation techniques is indicated.

Meszaros, P.↗
DOE OSTI2023

High-harmonic generation from artificially stacked 2D crystals

Here, we report a coherent layer-by-layer build-up of high-order harmonic generation (HHG) in artificially stacked transition metal dichalcogenides (TMDC) crystals in their various stacking configurations. In the experiments, millimeter-sized single crystalline monolayers are synthesized using the gold foil-exfoliation method, followed by artificially stacking on a transparent substrate. High-order harmonics up to the 19th order are generated by the interaction with a mid-infrared (MIR) driving laser. We find that the generation is sensitive to both the number of layers and their relative orientation. For AAAA stacking configuration, both odd- and even-orders exhibit a quadratic increase in intensity as a function of the number of layers, which is a signature of constructive interference of high-harmonic emission from successive layers. Particularly, we observe some deviations from this scaling at photon energies above the bandgap, which is explained by self-absorption effects. For AB and ABAB stacking, even-order harmonics remain below the detection level, consistent with the presence of inversion symmetry. Our study confirms our capability of producing nonperturbative high-order harmonics from stacked layered materials subjected to intense MIR fields without damaging samples. Our results have implications for optimizing solid-state HHG sources at the nanoscale and developing high-harmonics as an ultrafast probe of artificially stacked layered materials. Because the HHG process is a strong-field driven process, it has the potential to probe high-momentum and energy states in the bandstructure combined with atomic-scale sensitivity in real space, making it an attractive probe of novel material structures such as the Moiré pattern.

2D materials↗
NASA NTRS1976

Plasma kinetic processes in a strong d.c. magnetic field

The electrostatic guiding center approximation is used to describe the kinetic processes of a strongly magnetized tenuous plasma in two dimensions, in both the fluid and charged rod descriptions. The basic kinetic description of the plasma is in terms of the statistically-distributed Fourier coefficients associated with the velocity and enstrophy (charge density) fields. It is shown that the system exhibits a tendency to long range order characterized by macroscopic vorticity concentrations comparable in size to that of the system. These types of structure have historically been called convection cells and can be quite efficient at transporting particles transverse to a magnetic field.

Montgomery, D.↗
NASA NTRS2002

Solutocapillary Convection in the Float-Zone Process with a Strong Magnetic Field

This paper treats the axisymmetric flow and mass transport in a cylindrical liquid bridge between the melting end of a feed rod and the solidifying end of an alloyed semiconductor crystal. There is a strong, uniform, steady, axial magnetic field. The surface tension depends on the temperature and the concentration of the species, while variations of the concentration occur because one species is rejected into the liquid during solidification. The thermocapillary and solutocapillary convections tend to cancel- over part of the liquid bridge. For certain parameter ranges, there are two different stable steady solutions: one where the concentration gradient along the free surface leads to dominance by the solutocapillary convection and one where the mass transport due to the thermocapillary convection makes the concentration gradient along the free surface small, so that the thermocapillary convection is dominant.

Walker, J. S.↗
NASA NTRS1973

Pair annihilation into neutrinos in strong magnetic fields.

Among the processes that are of primary importance for the thermal history of a neutron star is electron-positron annihilation into neutrinos and photoneutrinos. These processes are computed in the presence of a strong magnetic field typical of neutron stars, and the results are compared with the zero-field case. It is shown that the neutrino luminosity Q(H) is greater than Q(O) for temperatures up to T about equal to 3 x 10 to the 8th power K and densities up to 1,000,000 g/cu cm.

Canuto, V.↗
DOE OSTI2023

Partial-wave decomposition of the Keldysh ionization amplitude

We present an alternative way of calculating the Keldysh amplitude, i.e., the length-gauge form of the ionization amplitude in the strong-field approximation. The amplitude is evaluated exactly by expanding it in Fourier components and partial waves. Comparisons of the semianalytic model predictions with results of ab initio numerical simulations of the time-dependent Schrödinger equation for the interaction of electrons in short-range potentials with intense laser light yield excellent agreement, for wavelengths from the single photon to the multiphoton to the tunneling regime. Specifically, for ionization from initial states with higher angular momentum quantum number, e.g., p states, a significant improvement over predictions based on the popular saddle-point approximation is found. Furthermore, the current model rate allows for interpretation of the strong-field ionization process in terms of multiphoton absorption pathways and angular momentum selection rules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

PICSAR-QED: a Monte Carlo module to simulate strong-field quantum electrodynamics in particle-in-cell codes for exascale architectures

Abstract Physical scenarios where the electromagnetic fields are so strong that quantum electrodynamics (QED) plays a substantial role are one of the frontiers of contemporary plasma physics research. Investigating those scenarios requires state-of-the-art particle-in-cell (PIC) codes able to run on top high-performance computing (HPC) machines and, at the same time, able to simulate strong-field QED processes. This work presents the PICSAR-QED library, an open-source, portable implementation of a Monte Carlo module designed to provide modern PIC codes with the capability to simulate such processes, and optimized for HPC. Detailed tests and benchmarks are carried out to validate the physical models in PICSAR-QED, to study how numerical parameters affect such models, and to demonstrate its capability to run on different architectures (CPUs and GPUs). Its integration with WarpX, a state-of-the-art PIC code designed to deliver scalable performance on upcoming exascale supercomputers, is also discussed and validated against results from the existing literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Polarized QED cascades

By taking the spin and polarization of the electrons, positrons and photons into account in the strong-field QED processes of nonlinear Compton emission and pair production, we find that the growth rate of QED cascades in ultra-intense laser fields can be substantially reduced. While this means that fewer particles are produced, we also found them to be highly polarized. We further find that the high-energy tail of the particle spectra is polarized opposite to that expected from Sokolov–Ternov theory, which cannot be explained by just taking into account spin-asymmetries in the pair production process, but results significantly from 'spin-straggling'. We employ a kinetic equation approach for the electron, positron and photon distributions, each of them spin/polarization-resolved, with the QED effects of photon emission and pair production modelled by a spin/polarization dependent Boltzmann-type collision operator. For photon-seeded cascades, depending on the photon polarization, we find an excess or a shortage of particle production in the early stages of cascade development, which provides a path towards a controlled experiment. Throughout this paper we focus on rotating electric field configuration, which represent an idealized model and allows for a straightforward interpretation of the observed effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1976

Plasma kinetic processes in a strong d.c. magnetic field

Recent results in the kinetic theory of a strongly magnetized plasma are surveyed. Emphasis is on the electrostatic guiding-center plasma in two dimensions, in both the fluid and 'charged rod' descriptions. The basic kinetic description of the plasma is in terms of the statistically-distributed Fourier coefficients associated with the velocity and 'enstrophy' (charge density) fields. It is a universal tendency in such media for enstrophy to flow to shorter wavelengths but for energy to flow to longer wavelengths. A consequence of the energy flow to longer wavelengths is the generation of long-range order in the form of macroscopic vortices. These kinds of structure have been called 'convection cells' and can be extraordinarily efficient in transporting particles transverse to a magnetic field. The tendency to vortex formation can be disrupted by collisions between particles. Modifications of the Fokker-Planck equation for a plasma produced by a strong dc magnetic field are considered in both two and three dimensions.

Montgomery, D.↗
DOE OSTI2025

Thermocouples in Resistive and Induction Furnaces Operated in Strong Magnetic Fields

The thermomagnetic processing methods require an understanding of the in situ temperatures experienced by the workpieces. When commonly used thermocouples (TCs) are employed in induction furnaces, RF fields can contribute additional temperature uncertainties to the ones arising from the use of strong magnetic fields. Focusing on temperatures between 300 ° C and 1000 ° C produced by induction and resistive furnaces, the readings generated by Type-K TCs were contrasted to the ones produced by Type-S and Type-N sensors for magnetic fields up to 9 T. Overall, when comparing Type-K response to temperatures above 700 ° C in both zero field and high field ( ≤9 T), the differences amounted to less than 1% and when continuously measured has a linear relationship to the strength of the applied field. The relative invariance of Type-N and Type-S TCs was confirmed. In conclusion, these findings suggest that the use of TCs in high magnetic fields remains a viable option for applications, although the precision depends on the type used.

Tener, Zachary P. [Oak Ridge National Laboratory (↗
DOE OSTI2024

Quantum simulations for strong-field QED

Quantum field theory in the presence of strong background fields contains interesting problems where quantum computers may someday provide a valuable computational resource. In the noisy intermediate-scale quantum era it is useful to consider simpler benchmark problems in order to develop feasible approaches, identify critical limitations of current hardware, and build new simulation tools. Here we perform quantum simulations of strong-field QED (SFQED) in 3 + 1 dimensions, using real-time nonlinear Breit-Wheeler pair production as a prototypical process. The strong-field QED Hamiltonian is derived and truncated in the Furry-Volkov mode expansion, and the interactions relevant for Breit-Wheeler are transformed into a quantum circuit. Quantum simulations of a “null double slit” experiment are found to agree well with classical simulations following the application of various error mitigation strategies, including an asymmetric depolarization algorithm which we develop and adapt to the case of Trotterization with a time-dependent Hamiltonian. We also discuss longer-term goals for the quantum simulation of SFQED. Published by the American Physical Society 2024

Astronomy & Astrophysics↗