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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 OSTI2023

Relativistic Effects From Coupled-Cluster Theory

We discuss the theory and computational challenges of the relativistic coupled-cluster methods. Example calculations of heavy-atom-containing molecules are then presented to demonstrate the importance of scalar-relativistic, spin-orbit coupling, and electron-correlation effects on molecular properties as well as the applicability and usefulness of relativistic coupled-cluster methods in calculations aiming at high-accuracy results. Here, a unique applicability of the spinor-based relativistic coupled-cluster methods is also highlighted using the calculations of open shell actinide-containing small molecules. As a result, a summary is given together with an outlook into future developments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

3D Relativistic Magnetohydrodynamic Simulations of Magnetized Spine-Sheath Relativistic Jets

Numerical simulations of weakly magnetized and strongly magnetized relativistic jets embedded in a weakly magnetized and strongly magnetized stationary or weakly relativistic (v = c/2) sheath have been performed. A magnetic field parallel to the flow is used in these simulations performed by the new GRMHD numerical code RAISHIN used in its RMHD configuration. In the numerical simulations the Lorentz factor gamma = 2.5 jet is precessed to break the initial equilibrium configuration. In the simulations sound speeds are less than or equal to c/the square root of 3 in the weakly magnetized simulations and less than or equal to 0.56 c in the strongly magnetized simulations. The Alfven wave speed is less than or equal to 0.07 c in the weakly magnetized simulations and less than or equal to 0.56 c in the strongly magnetized simulations. The results of the numerical simulations are compared to theoretical predictions from a normal mode analysis of the linearized relativistic magnetohydrodynamic (RMHD) equations capable of describing a uniform axially magnetized cylindrical relativistic jet embedded in a uniform axially magnetized relativistically moving sheath. The theoretical dispersion relation allows investigation of effects associated with maximum possible sound speeds, Alfven wave speeds near light speed and relativistic sheath speeds. The prediction of increased stability of the weakly magnetized system resulting from c/2 sheath speeds and the stabilization of the strongly magnetized system resulting from c/2 sheath speeds is verified by the numerical simulation results.

Mizuno, Yosuke↗
NASA NTRS2007

3D Relativistic MHD Simulations of Magnetized Spine-Sheath Relativistic Jets

We have performed numerical simulations of weakly and strongly magnetized relativistic jets embedded in a weakly and strongly magnetized stationary or mildly relativistic (0.5c) sheath using the RAISHIN code. In the numerical simulations a jet with Lorentz factor gamma=2.5 is precessed to break the initial equilibrium configuration. Results of the numerical simulations are compared to theoretical predictions from a normal mode-analysis of the linearized RMHD equations describing a uniform axially magnetized cylindrical relativistic jet embedded in a uniform axially magnetized moving sheath. The prediction of increased stability of a weakly-magnetized system with mildly relativistic sheath flow to Kelvin-Helmholtz instabilities and the stabilization of a strongly-magnetized system with mildly relativistic sheath flow is confirmed by the numerical simulations.

Mizuno, Yosuke↗
NASA NTRS2008

Relativistic Particle-In-Cell Simulations of Particle Accleration in Relativistic Jets

Highly accelerated particles are observed in astrophysical systems containing relativistic jets and shocks, e.g., active galactic nuclei (AGNs), microquasars, and Gamma-Ray Bursts (GRBs). Particle-In-Cell (PIC) simulations of relativistic electron-ion and electron-positron jets injected into a stationary medium show that efficient acceleration occurs downstream in the jet. In collisionless relativistic shocks particle acceleration is due to plasma waves and their associated instabilities, e.g., the Buneman instability, other two-stream instabilities, and the Weibel (filamentation) instability. Simulations show that the Weibel instability is responsible for generating and amplifying highly non-uniform, small-scale magnetic fields. The instability depends on strength and direction of the magnetic field. Particles in relativistic jets may be accelerated in a complicated dynamics of relativistic jets with magnetic field. We present results of our recent PIC simulations.

Nishikawa, K.-I.↗
DOE OSTI2021

Relativistic effects for the superheavy reaction Og + 2Ts 2 → OgTs 4 (T d or D 4h ): dramatic relativistic effects for atomization energy of superheavy Oganesson tetratennesside OgTs 4 and prediction of the existence of tetrahedral OgTs 4

In this work, our all-electron fully relativistic Dirac-Fock (DF) and nonrelativistic (NR) Hartree-Fock SCF mol. calculations for the superheavy tetrahedral (Td) oganesson tetratennesside OgTs 4 predict atomization energies (A e ) of 7.45 and -11.21 eV, resp. Our DF and NR calculations, however for the square planar (D 4h ) OgTs 4 predict atomization energies (A e ) of 6.34 and -8.56 eV, resp. There are dramatic relativistic effects for the atomization energies of T2 d and D 4h OgTs 4 of ~ 18.65 eV and ~ 14.90 eV, resp. Whereas our DF calculations predict the Td OgTs 4 to be more stable than the D 4h OgTs 4 by ~ 1.10 eV, our NR calculations predict the D 4h OgTs 4 to be more stable than the T d OgTs 4 by ~ 2.65 eV. Our NR calculations predict both the T d and D 4h OgTs 4 to be unbound by 11.21 and 8.56 eV, resp. However, our relativistic DF calculations predict both the T d and D 4h OgTs 4 to be bound by 7.45 and 6.34 eV, resp., and so the relativistic treatment is mandatory for bonding and binding in the pentat. superheavy system with 586 electrons involving the two heaviest SHE Ts and Og.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Point form relativistic quantum mechanics and relativistic SU(6)

The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.

Klink, W. H.↗
NASA NTRS1995

Relativistic hadrons and the origin of relativistic outflows in active galactic nuclei

We examine the hydrodynamic origin of relativistic outflows in active galactic nuclei (AGN). Specifically, we propose that the presence of a population of relativistic hadrons in the AGN 'central engine' and the associated neutron production suffices to produce outflows which under rather general conditions could be relativistic. The main such condition is that the size of the neutron production region be larger than the neutron flight path tau(sub n) approximately 3 x 10(exp 13) cm. This condition guarantees that the mean energy per particle in the proton fluid, resulting from the decay of the neutrons outside their production region, be greater than the proton rest mass. The expansion of this fluid can then lead naturally to a relativistic outflow by conversion of its internal energy to directed motion. We follow the development of such flows by solving the mass, energy as well as the kinetic equation for the proton gas in steady state, taking into account the source terms due to compute accurately the adiabatic index of the expanding gas, and in conjunction with Bernoulli's equation the detailed evolution of the bulk Lorentz factor. We further examine the role of large-scale magnetic fields in confining these outflows to produce the jets observed at larger scales.

Contopoulos, John↗
NASA NTRS2007

General Relativistic Radiative Transfer and General Relativistic MHD Simulations of Accretion and Outflows of Black Holes

We have calculated the emission from relativistic flows in black hole systems using a fully general relativistic radiative transfer, with flow structures obtained by general relativistic magnetohydrodynamic simulations. We consider thermal free-free emission and thermal synchrotron emission. Bright filament-like features are found protruding (visually) from the accretion disk surface, which are enhancements of synchrotron emission when the magnetic field is roughly aligned with the line-of-sight in the co-moving frame. The features move back and forth as the accretion flow evolves, but their visibility and morphology are robust. We propose that variations and location drifts of the features are responsible for certain X-ray quasi-periodic oscillations (QPOs) observed in black-hole X-ray binaries.

Fuerst, Steven V.↗
DOE OSTI2024

Small tensor product distributed active space (STP-DAS) framework for relativistic and non-relativistic multiconfiguration calculations: Scaling from 10 9 on a laptop to 10 12 determinants on a supercomputer

Despite the power and flexibility of configuration interaction (CI) based methods in computational chemistry, their broader application is limited by an exponential increase in both computational and storage requirements, particularly due to the substantial memory needed for excitation lists that are crucial for scalable parallel computing. Here, the objective of this work is to develop a new CI framework, namely, the small tensor product distributed active space (STP-DAS) framework, aimed at drastically reducing memory demands for extensive CI calculations on individual workstations or laptops, while simultaneously enhancing scalability for extensive parallel computing. Moreover, the STP-DAS framework can support various CI-based techniques, such as complete active space (CAS), restricted active space, generalized active space, multireference CI, and multireference perturbation theory, applicable to both relativistic (two- and four-component) and non-relativistic theories, thus extending the utility of CI methods in computational research. We conducted benchmark studies on a supercomputer to evaluate the storage needs, parallel scalability, and communication downtime using a realistic exact-two-component CASCI (X2C-CASCI) approach, covering a range of determinants from 10 9 to 10 12 . Additionally, we performed large X2C-CASCI calculations on a single laptop and examined how the STP-DAS partitioning affects performance.

Complete-active space self-consistent field↗
DOE OSTI2021

Confinement of relativistic electrons in a magnetic mirror en route to a magnetized relativistic pair plasma

Creating a magnetized relativistic pair plasma in the laboratory would enable the exploration of unique plasma physics relevant to some of the most energetic events in the universe. As a step toward a laboratory pair plasma, we have demonstrated an effective confinement of multi-MeV electrons inside a pulsed-power-driven 13 T magnetic mirror field with a mirror ratio of 2.6. The confinement is diagnosed by measuring the axial and radial losses with magnetic spectrometers. The loss spectra are consistent with ≤2.5 MeV electrons confined in the mirror for ∼1 ns. With a source of 1012 electron-positron pairs at comparable energies, this magnetic mirror would confine a relativistic pair plasma with Lorentz factor γ∼6 and magnetization σ∼40.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Strong surface magnetic field generation in relativistic short pulse laser–plasma interaction with an applied seed magnetic field

Abstract While plasma often behaves diamagnetically, we demonstrate that the laser irradiation of a thin opaque target with an embedded target-transverse seed magnetic field B seed can trigger the generation of an order-of-magnitude stronger magnetic field with opposite sign at the target surface. Strong surface field generation occurs when the laser pulse is relativistically intense and results from the currents associated with the cyclotron rotation of laser-heated electrons transiting through the target and the compensating current of cold electrons. We derive a predictive scaling for this surface field generation, B gen ∼ −2 πB seed Δ x / λ 0 (in the large spot size limit), where Δ x is the target thickness and λ 0 is the laser wavelength, and conduct 1D and 2D particle-in-cell simulations to confirm its applicability over a wide range of conditions. We additionally demonstrate that both the seed and surface-generated magnetic fields can have a strong impact on application-relevant plasma dynamics, for example substantially altering the overall expansion and ion acceleration from a μ m-thick laser-irradiated target with a kilotesla-level seed magnetic field.

Weichman, K. (ORCID:0000000234877922)↗
DOE OSTI2022

Relativistic wind farm effect: Possibly turbulent flow of a charged, massless relativistic fluid in graphene

At low Reynolds numbers, the wind flow in the wake of a single wind turbine is generally not turbulent. However, turbines in wind farms affect each other's wakes so that a turbulent flow can arise. In the present work, an analog of this effect for the massless charge carrier flow around obstacles in graphene is outlined. We use a relativistic hydrodynamic simulation to analyze the flow in a sample containing impurities. Depending on the density of impurities in the sample, we indeed find evidence for potentially turbulent flow and discuss experimental consequences.

Watson, Mark (ORCID:0000000258959949)↗
NASA NTRS1994

Relativistic and Correlation Effects in CuH, AgH and AuH: Comparison of Various Relativistic Methods

The effects of relativity on the bond lengths, dissociation energies, and harmonic vibrational frequencies of the 1Epsilon(+) electronic ground states of the group IB hydrides CuH, AgH and AuH have been evaluated with a variety of ab initio methods. These properties were investigated with moderately-sized basis sets at the self-consistent field Hartree Fock (SCF HF) level and with second-order Moller-Plesset (MP2) perturbation theory for electron correlation. Comparisons were made between all-electron results using the nonrelativistic Hamiltonian, perturbation theory (PT) at first-order with only the one-electron non-fine structure terms of the Breit-Pauli Hamiltonian, the spin-free Douglas-Kroll (DK) transformed Dirac Hamiltonian and the untransformed Dirac Hamiltonian, and results using two sets of relativistic effective core potentials (RECPs). The expected trends of bond length decrease, dissociation energy increase and harmonic frequency increase with both relativity and correlation are found. Both sets of RECPs are shown to give good results, if accompanied by a reasonable basis set. The DK method is demonstrated to be an inexpensive, reliable approximation to the DHF method.

Collins, Charlene L.↗
DOE OSTI2021

Manipulating strong electromagnetic fields with the average transverse momentum of relativistic nuclear collisions

Abstract We show that an event-shape engineering based on the mean transverse momentum of charged hadrons, $$[p_t]$$ [ p t ] , provides an optimal handle on the strength of the magnetic field created in central heavy-ion collisions at high energy. This is established through quantitative evaluations of the correlation existing between the event-by-event magnetic field produced by the spectator protons in 5.02 TeV Pb + Pb collisions and the event-by-event $$[p_t]$$ [ p t ] at a given collision centrality. We argue that the event selection based on $$[p_t]$$ [ p t ] provides a better handle on the magnetic field than the more traditional selection based on the event ellipticities. Advantages brought by this new method for the experimental search of the chiral magnetic effect are discussed.

Giacalone, Giuliano (ORCID:0000000287761034)↗
NASA NTRS1985

A bi-directional charged particle telescope to observe flux, energy spectrum and angular distribution of relativistic and non-relativistic particles

A Charged Particle Telescope (CPT) was designed, fabricated and calibrated to make the following observations: (1) discrimination between various singly charged particles, e.g., electrons, muons and protons, in about 5 to 100 MeV energy range; (2) measurement of the flux and the energy of the charged particles incident to the telescope from two opposite directions and stopping in the telescope, thus obtaining flux and energy spectrum of downward and upward moving charged particles; and (3) measurement of the broad angular distribution of selected particles as a function of azimuthal angle. This telescope can be used to study low energy electron, muon and proton energy spectra. The experiment was flown in a high altitude balloon from Hyderabad, India, in December 1984. This same equipment is also useful in ground level electron, muon spectrum study.

Verma, S. D.↗