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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Perturbative approaches in relativistic kinetic theory and the emergence of first-order hydrodynamics

Hydrodynamics can be formulated in terms of a perturbative series in derivatives of the temperature, chemical potential, and flow velocity around an equilibrium state. Different formulations for this series have been proposed over the years, which consequently led to the development of various hydrodynamic theories. In this work, we discuss the relativistic generalizations of the perturbative expansions put forward by Chapman and Enskog, and Hilbert, using general matching conditions in kinetic theory. This allows us to describe, in a comprehensive way, how different out-of-equilibrium definitions for the hydrodynamic fields affect the development of the hydrodynamic perturbative series. We provide a perturbative method for systematically deriving the hydrodynamic formulation recently proposed by Bemfica, Disconzi, Noronha, and Kovtun (BDNK) from relativistic kinetic theory. The various transport coefficients that appear in BDNK (at first-order) are explicitly computed using a new formulation of the relaxation time approximation for the Boltzmann equation. Assuming Bjorken flow, we also determine the hydrodynamic attractors of BDNK theory and compare the overall hydrodynamic evolution obtained using this formulation with that generated by the Israel-Stewart equations of motion and also kinetic theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Regulation of Alfvén Eigenmodes by Microturbulence in Fusion Plasmas

Global gyrokinetic simulations of mesoscale reversed shear Alfven eigenmodes (RSAE) excited by energetic particles (EP) in fusion plasmas find that RSAE amplitude and EP transport are much higher than experimental levels at nonlinear saturation, but quickly diminish to very low levels after the saturation when background microturbulence is artificially suppressed. In contrast, in simulations coupling micro-meso scales, the RSAE amplitude and EP transport decrease drastically at the initial saturation but later increases to the experimental levels in the quasi-steady state with bursty dynamics due to regulation by thermal ion temperature gradient (ITG) microturbulence. The quasi-steady state EP transport is larger for a stronger microturbulence. Here, the RSAE amplitude in the quasi-steady state ITG-RSAE turbulence from gyrokinetic simulations, for the first time, agrees very well with experimental measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Universal Bound on Effective Central Charge and Its Saturation

The effective central charge (denoted by 𝑐 eff ) is a measure of entanglement through a conformal interface, while the transmission coefficient (encoded in the coefficient 𝑐 𝐿⁢𝑅 of the two-point function of the energy-momentum tensor across the interface) is a measure of energy transmission through the interface. It has been pointed out that these two are generally different. In this Letter, we propose the inequalities, 0 ≤ 𝑐 𝐿⁢𝑅 ≤ 𝑐 eff ≤ min⁡(𝑐 𝐿 ,𝑐 𝑅 ). They have the simple but important implication that the amount of energy transmission can never exceed the amount of information transmission. We verify them using the AdS/CFT correspondence, using the perturbation method, and in examples beyond holography. We also show that these inequalities are sharp by constructing a class of interfaces that saturate them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A Stability Analysis Tool for Bulk Power Systems Using Black-Box Models of Inverter-based Resources

This paper presents a small-signal stability analysis tool for large-scale power systems with high penetration of inverter-based resources (IBRs). Firstly, a network transfer function matrix (NTFM), which represents the information of the system topology, transmission lines, loads, IBRs locations, etc., is derived to model the entire power system network. Secondly, small-signal perturbation method is applied to obtain the sequence impedance/admittance responses of IBRs considering the frequency cross-coupling effects. With the obtained NTFM as well as IBRs' models, a multi-input, multi-output (MIMO) feedback system is constructed, and the generalized Nyquist criterion (GNC)-based stability method is employed to analyze the stability of the entire power system. Different testing cases based on a modified IEEE-14 bus system are leveraged to verify the proposed stability analysis tool.

Sun, Dongsen↗
DOE OSTI2023

A Stability Analysis Tool for Bulk Power Systems Using Black-Box Models of Inverter-Based Resources

This paper presents a small-signal stability analysis tool for large-scale power systems with high penetration of inverter-based resources (IBRs). Firstly, a network transfer function matrix (NTFM), which represents the information of the system topology, transmission lines, loads, IBRs locations, etc., is derived to model the entire power system network. Secondly, small-signal perturbation method is applied to obtain the sequence impedance/admittance models of the block-box IBRs considering the frequency cross-coupling effects. With the obtained NTFM as well as IBR models, a multi-input, multi-output (MIMO) feedback system is constructed, and the generalized Nyquist criterion (GNC)-based stability method is employed to analyze the stability of the entire power system. Furthermore, based on the developed stability analysis method, sensitivity analysis is conducted on an unstable case to identify which parameter has a high impact on the system stability. As a result, different test cases based on a modified IEEE 14- bus system as well as a reduced 240-bus WECC system are studied to verify the proposed stability analysis tool.

42 ENGINEERING↗
DOE OSTI2021

3d N=4 Bootstrap and Mirror Symmetry

We investigate the non-BPS realm of 3d {N} = 4 N = 4 superconformal field theory by uniting the non-perturbative methods of the conformal bootstrap and supersymmetric localization, and utilizing special features of 3d {N} = 4 N = 4 theories such as mirror symmetry and a protected sector described by topological quantum mechanics (TQM). Supersymmetric localization allows for the exact determination of the conformal and flavor central charges, and the latter can be fed into the mini-bootstrap of the TQM to solve for a subset of the OPE data. We examine the implications of the Z_2 Z 2 mirror action for the SCFT single- and mixed-branch crossing equations for the moment map operators, and apply numerical bootstrap to obtain universal constraints on OPE data for given flavor symmetry groups. A key ingredient in applying the bootstrap analysis is the determination of the mixed-branch superconformal blocks. Among other results, we show that the simplest known self-mirror theory with SU(2) \times SU(2) S U ( 2 ) × S U ( 2 ) flavor symmetry saturates our bootstrap bounds, which allows us to extract the non-BPS data and examine the self-mirror Z_2 Z 2 symmetry thereof.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Deeply Virtual Compton Scattering on the Proton in Hall A at Jefferson Lab

The structure of nucleons as they are composed of quarks and gluons is not well understood. Non-perturbative methods (such as lattice-QCD) describing quark/gluon interactions are ongoing in development, but still cannot fully reproduce the structure of hadrons. Among the observables which describe longitudinal momentum and transverse position of partons, generalized parton distributions (GPDs) describe the correlations between the two, and are accessible through p(right-arrow e;e'y)p scattering experiments in the Bjorken limit when factorization holds. A complete understanding of these functions will help us to better understand the structure of nucleons. Experiment E12-06-114 was performed by JLab's DVCS Hall A Collaboration in 2014 and 2016. Using a polarized electron beam and a liquid hydrogen target, the collaboration measured cross sections for the exclusive reaction p(right-arrow e;e'y)p at xB=0.36, 0.48, and 0.60,3 .2 lte Q2 lte 9.00, and -1.28 lte t lte -0.69. This dissertation details the analysis and results of measuring the p(right-arrow e;e'y)p cross section at xB=0.48. The measured cross section results allow us to demonstrate the validity of factorization in our kinematic regime, and extract Compton Form Factor combinations important for understanding GPDs. Additionally, the cross section results are used to test existing GPD models, KM10a and KM15.

Johnson, Alexa N.↗
DOE OSTI2021

(U) Using the MCNP6 Perturbation Capability for Source Nuclide Density Sensitivities

The Taylor series (differential operator) perturbation method, as implemented in the PERT capability in MCNP6 (Ref. 1), can be used for first- and second-order sensitivity analyses in fixed-source problems. Unfortunately, the PERT capability does not yet work with point-detector (F5) or pulse-height (F8) tallies. Also, the second-order Taylor series term lacks the cross terms that would allow the calculation of mixed sensitivities. Finally, the PERT capability does not compute any sensitivities involving the source in a fixed-source problem. When neutrons or gamma rays are emitted due to radioactive decay, the source rate density depends intrinsically on the nuclide densities in the source material. When the PERT capability in MCNP6 is used to compute sensitivities of a response to nuclide and material densities, those sensitivities do not include the effect of the source.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

(U) Calculating First-Order Sensitivities to Material Density and Composition in Fixed-Source Problems Using the MCNP6 Perturbation Capability

The Taylor series (differential operator) perturbation method, as implemented in the PERT capability in MCNP6 (Ref. 1), can be used for first-order sensitivity analyses in fixed-source problems.2 Sensitivities of a response with respect to material and nuclide densities can be used for efficient first-order uncertainty quantification. This report discusses how to compute sensitivities of material densities and compositions in order to propagate uncertainties using the standard uncertainty propagation formula.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Accelerating eigenvalue computation for nuclear structure calculations via perturbative corrections

Subspace projection methods utilizing perturbative corrections have been proposed for computing the lowest few eigenvalues and corresponding eigenvectors of large Hamiltonian matrices. In this paper, we build upon these methods and introduce the term Subspace Projection with Perturbative Corrections (SPPC) method to refer to this approach. We tailor the SPPC for nuclear many-body Hamiltonians represented in a truncated configuration interaction subspace, i.e., the no-core shell model (NCSM). We use the hierarchical structure of the NCSM Hamiltonian to partition the Hamiltonian as the sum of two matrices. The first matrix corresponds to the Hamiltonian represented in a small configuration space, whereas the second is viewed as the perturbation to the first matrix. Eigenvalues and eigenvectors of the first matrix can be computed efficiently. Because of the split, perturbative corrections to the eigenvectors of the first matrix can be obtained efficiently from the solutions of a sequence of linear systems of equations defined in the small configuration space. These correction vectors can be combined with the approximate eigenvectors of the first matrix to construct a subspace from which more accurate approximations of the desired eigenpairs can be obtained. We show by numerical examples that the SPPC method can be more efficient than conventional iterative methods for solving large-scale eigenvalue problems such as the Lanczos, block Lanczos and the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The method can also be combined with other methods to avoid convergence stagnation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Perturbative Quantum Monte Carlo Method for Nuclear Physics

While first order perturbation theory is routinely used in quantum Monte Carlo (QMC) calculations, higher-order terms present significant numerical challenges. We present a new approach for computing perturbative corrections in projection QMC calculations. Here we demonstrate the method by computing nuclear ground state energies up to second order for a realistic chiral interaction. We calculate the binding energies of several light nuclei up to 16 O by expanding the Hamiltonian around the Wigner SU(4) limit and find good agreement with data. In contrast to the natural ordering of the perturbative series, we find remarkably large second-order energy corrections. This occurs because the perturbing interactions break the symmetries of the unperturbed Hamiltonian. Our method is free from the sign problem and can be applied to QMC calculations for many-body systems in nuclear physics, condensed matter physics, ultracold atoms, and quantum chemistry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Interference in nonlinear Compton scattering using a Schrödinger-equation approach

The interference between Compton scattering and nonlinear Compton scattering from a two-color field in the X-ray regime is theoretically examined for bound electrons. Here, the underlying phase shifts are analyzed using a perturbative approach in the incoming classical field. The perturbative approach is bench marked with a non-perturbative approach in the classical field. The interference for different combinations of linear polarization of the two fields is examined when the Compton and the nonlinear Compton scattered waves have the same wave vector and polarization. Only two cases exhibit interference. When there is interference, the calculations reveal an intrinsic phase difference between the Compton scattered wave function and the nonlinear Compton scattered wave function of either 0 or pi depending on the scattering angle.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Internal Conversion between Bright (1 1 B $^+_u$) and Dark (21 A $^-_g$) States in s- trans -Butadiene and s- trans -Hexatriene

Internal conversion (IC) between the two lowest singlet excited states, 1 1 B$_u^+$ and 2 1 A$_g^–$, of s-trans-butadiene and s-trans-hexatriene is investigated using a series of single- and multi- reference wave function and density functional theory (DFT) methodologies. Three independent types of the equation-of-motion coupled-cluster (EOMCC) theory capable of providing an accurate and balanced description of one- as well as two-electron transitions, abbreviated as δ-CR-EOMCC(2,3), DIP-EOMCC(4h2p){N o }, and DEA-EOMCC(4p2h){N u } or DEA-EOMCC(3p1h,4p2h){N u }, consistently predict that the 1 1 B$_u^+$/2 1 A$_g^–$ crossing in both molecules occurs along the bond length alternation coordinate. However, the analogous 1 1 B$_u^+$ and 2 1 A$_g^–$ potentials obtained with some multireference approaches, such as CASSCF and MRCIS(D), as well as with the linear-response formulation of time-dependent DFT (TDDFT), do not cross. Hence, caution needs to be exercised when studying the low-lying singlet excited states of polyenes with conventional multiconfigurational methods and TDDFT. The multistate many-body perturbation theory methods, such as XMCQDPT 2 , do correctly reproduce the curve crossing. Among the simplest and least expensive computational methodologies, the DFT approaches that incorporate the contributions of doubly excited configurations, abbreviated as MRSF (mixed reference spin-flip) TDDFT and SSR( 4,4 ), accurately reproduce our best EOMCC results. This is highly promising for nonadiabatic molecular dynamics simulations in larger systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulations for x-ray imaging of wave-packet dynamics

Previous work on imaging wave-packet dynamics with x-ray scattering revealed that the scattering patterns deviate substantially from the notion of instantaneous momentum density of the wave packet. Here we show that scattering patterns can provide clear insights into the electron wave-packet dynamics if the final state of the scattered electron and the scattered photon momentum are determined simultaneously. The scattering probability is shown to be proportional to the modulus square of the Fourier transform of the instantaneous electronic spatial wave function weighted by the final state of the electron. Several cases for the choice of final state of the electron are explored. First, the case where the final state can be measured up to a given principal quantum number n and orbital angular momentum l are presented. Next, the case where the final states can only be determined up to a given energy is discussed. Lastly, the case of an initial wave packet consisting of a large amount of a known stationary state and a small amount of an unknown stationary state is examined. The scattering profile is used to determine the properties of the unknown state in the wave packet.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Easy_PERT: a Python tool for writing PERT cards and parsing PERT card results [Slides]

This presentation begins by providing an overview of the PERT card. The PERT card uses differential operator method to compute first- and second-order tally variations due to density, composition, and reaction cross-sections. It is possible to have multiple PERT cards in one MCNP input deck to study tally variations for several sets of nuclides, reactions, and energy ranges. Furthermore, the METHOD option tells MCNP to calculate either the perturbed tally (METHOD=-1, -2, -3) or the change in the unperturbed tally (METHOD=1, 2, 3). In summation, a powerful use-case for the MCNP code PERT card is that it facilitates calculating tally sensitivities to nuclear data. Writing PERT card entries and parsing output MCTAL files is tedious and error prone. however, Easy_PERT makes use of existing tools (Faust and MCNPTools) to handle writing PERT card entries and parsing the output MCTAL files. The PERT card is early in the development process and planned upcoming capabilities include calculating sensitivities and combining MCTAL files from separate runs into one JSON file.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method

A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real space of electron coordinates is carried out by the Monte Carlo (MC) method with the Metropolis sampling, whereas the MC integration in the imaginary-time domain is performed by the inverse-CDF (cumulative distribution function) method. The computational cost to reach a given relative statistical error for spatially compact but heavy molecules is observed to be no worse than cubic and possibly quadratic with the number of electrons or basis functions. This is a vast improvement over the quintic scaling of the conventional, deterministic second-order many-body perturbation method. The algorithm is also easily and efficiently parallelized with demonstrated 92% strong scalability going from 64 to 4096 processors for a fixed job size.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Strobed imaging as a method for the determination and diagnosis of local seeing

ABSTRACT The image quality budget of many telescopes can have substantial contributions from local seeing, both ‘mirror’ and ‘dome’, which arise from turbulence and temperature variations that are difficult to quantify, measure directly, and ameliorate. We describe a method to determine the ‘local’ seeing degradation due to wavefront perturbations within the final few metres of the optical path from celestial sources to the focal plane of a ground-based telescope, using the primary instrument and along the same path taken by light from celestial sources. The concept involves placing strobed emitters along the light path to produce images on the main focal plane that ‘freeze’ different realizations of index perturbations. This method has the advantage of measuring directly the image motion and scintillation imparted by the dynamic spatial and temporal structure of local perturbations in the index of refraction along the light path, with a clean separation from seeing induced in the atmosphere above the dome. The strobed-source approach allows for rapid image motion and scintillation to be measured directly on the focal plane, even for large-aperture telescopes with wide-field instruments and slow shutters, such as that being constructed for the Rubin Observatory. A conceptual design is presented that uses the ‘guider’ CCDs in the Rubin telescope focal plane to make local-seeing measurements on demand, perhaps even during science exposures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Automated Direct Perturbation Calculations with SCALE TSUNAMI [Abstract]

In nuclear criticality safety analysis, the sensitivity of the eigenvalue keff to uncertainties in nuclear data and its evaluation are crucial. The TSUNAMI sequences within the SCALE code system offer users various options with both multigroup (MG) and continuous-energy (CE) 3D Monte Carlo (MC) transport capabilities for calculating keff sensitivity coefficients and storing them in a sensitivity data file (SDF). Each methodology available in TSUNAMI offers distinct advantages and limitations, and its effectiveness can vary based on the specific problem being solved. As a best practice, practitioners typically use the direct perturbation (DP) method as a confirmatory step alongside their sensitivity calculations to verify the accuracy of the sensitivity data generated. In this process, DP calculations are usually performed on select nuclides, those considered most important for validating their total sensitivities. However, because of code limitations, analysts use a workaround method when conducting DP calculations for a single nuclide: rather than perturbing the nuclide's microscopic cross section, an equivalent number density for this nuclide is calculated to reflect the effect of a change in the macroscopic cross section due to a perturbation in the microscopic cross section. The current approach requires rerunning the CSAS criticality calculation several times with model changes. Although this method can yield results with acceptable accuracy, it is labor-intensive and prone to errors.

AZURE: SAMMY↗