SEARCH · Engineering Papers
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Information on sensitivity analysis in computational aerodynamics is given in outline, graphical, and chart form. The prediction accuracy if the MCAERO program, a perturbation analysis method, is discussed. A procedure for calculating perturbation matrix, baseline wing paneling for perturbation analysis test cases and applications of an inviscid sensitivity matrix are among the topics covered.
The method of expansion of the satellite's perturbations, as caused by the oceanic tides, into Fourier series is discussed. The coefficients of the expansion are purely numerical and peculiar to each particular satellite. Such a method is termed as semi-analytical in celestial mechanics. Gaussian form of the differential equations for variation of elements, with the right hand sides averaged over the orbit of the satellite, is convenient to use with the semi-analytical expansion.
Lattice QCD is a numerical method to simulate QCD (Quantum Chromodynamics) including non-perturbative effects. Among other methods, lattice QCD is the only successful non-perturbative method that can be systematically improved from first principles. Lattice QCD plays an important role in High Energy Particle Physics (flavor physics, spectroscopy, and beyond the Standard Model physics) and Nuclear Physics (nucleon/nuclear spectrum & structure, quark-gluon plasma, and the QCD equation of state). Moreover, recently there are active developments in applying lattice gauge theory to quantum field theory in general, for example the theoretical description of graphene or cold atom systems. We define the QCD action on a finite and discrete ‘lattice’ like grid, so that we can compute the path integral (partition function) on a computer. A current lattice size is 96 3 ×192, and the corresponding number of degrees of freedom for the path integral is about 6×10 8 . Thus, it requires enormous computing resources. In this report, we describe our overall efforts to improve lattice QCD software on Mira, which include a new communication library using the Message Unit (MU) SPI (System Programming Interface), better node mapping strategy, lattice site reordering, and using the quad floating point (QPX) intrinsics.
In the factorized picture of semi-inclusive deep inelastic scattering the naive time reversal-odd parton distributions exist by virtue of the gauge link which is intrinsic to their definition. The link structure describes initial/final-state interactions of the active parton due to soft gluon exchanges with the target remnant. Though these interactions are non-perturbative, calculations of final-state interaction have been performed in a perturbative one-gluon approximation. Here, we include higher-order contributions by applying non-perturbative eikonal methods to calculate the Boer-Mulders function of the pion. Using this framework we explore under what conditions the Boer Mulders function can be described in terms of factorization of final state interactions and a spatial distortion.
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.
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.
Explore the source record for details and available documents.
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.
In this work, we investigate the properties of quantum chromodynamics (QCD), by using newly developing mathematics and physics formalisms. Almost all of the mass in the visible universe emerges from a quantum chromodynamics (QCD), which has a completely negligible microscopic mass content. An intimately related issue in QCD is the quark confinement problem. Answers to non-perturbative questions in QCD remained largely elusive despite much effort over the years. It is also believed that the usual perturbation theory is inadequate to address these kinds of problems. Perturbation theory gives a divergent asymptotic series (even when the theory is properly renormalized), and there are non-perturbative phenomena which never appear at any order in perturbation theory. Recently, a fascinating bridge between perturbation theory and non-perturbative effects has been found: a formalism called resurgence theory in mathematics tells us that perturbative data and non-perturbative data are intimately related. Translating this to the language of quantum field theory, it turns out that non-perturbative information is present in a coded form in perturbation theory and it can be decoded. We take advantage of this feature, which is particularly useful to understand some unresolved mysteries of QCD from first principles. In particular, we use: a) Circle compactifications which provide a semi-classical window to study confinement and mass gap problems, and calculable prototypes of the deconfinement phase transition; b) Resurgence theory and transseries which provide a unified framework for perturbative and non-perturbative expansion; c) Analytic continuation of path integrals and Lefschetz thimbles which may be useful to address sign problem in QCD at finite density.
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.
Perturbation of osculating hyperbolic elements with two variants of Lagrange type
Optical measurements on secondary satellite for determining perturbation parameters of orbiting spacecraft
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.
A method involving approximate modal analysis using the Galerkin method followed by an approximate solution of the resulting modal-amplitude equations by the two-variable perturbation method (method of multiple scales) is applied to two problems of pressure-sensitive nonlinear combustion instability in liquid-fuel rocket motors. One problem exhibits self-coupled instability while the other exhibits mode-coupled instability. In both cases it is possible to carry out the entire linear stability analysis and significant portions of the nonlinear stability analysis in closed form. In the problem of self-coupled instability the nonlinear stability boundary and approximate forms of the limit-cycle amplitudes and growth and decay rates are determined in closed form while the exact limit-cycle amplitudes and growth and decay rates are found numerically. In the problem of mode-coupled instability the limit-cycle amplitudes are found in closed form while the growth and decay rates are found numerically. The behavior of the solutions found by the perturbation method are in agreement with solutions obtained using complex numerical methods.
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.
Asymptotic expansion method for solving certain classes of singular perturbation problems with application in viscous flow
Virtual oscillator control (VOC) is a decentralized control strategy for islanded microgrids where inverters are regulated to emulate the dynamics of weakly nonlinear oscillators. Compared to droop control, which is only well defined in sinusoidal steady state, VOC is a time-domain controller that enables interconnected inverters to stabilize arbitrary initial conditions to a synchronized sinusoidal limit cycle. However, the nonlinear oscillators that are elemental to VOC cannot be designed with conventional linear-control design methods. We address this challenge by applying averaging- and perturbation-based nonlinear analysis methods to extract the sinusoidal steady-state and harmonic behavior of such oscillators. The averaged models reveal conclusive links between real- and reactive-power outputs and the terminal-voltage dynamics. Similarly, the perturbation methods aid in quantifying higher order harmonics. The resultant models are then leveraged to formulate a design procedure for VOC such that the inverter satisfies standard ac performance specifications related to voltage regulation, frequency regulation, dynamic response, and harmonic content. Experimental results for a single-phase 750 VA, 120 V laboratory prototype demonstrate the validity of the design approach. They also demonstrate that droop laws are, in fact, embedded within the equilibria of the nonlinear-oscillator dynamics. This establishes the backward compatibility of VOC in that, while acting on time-domain waveforms, it subsumes droop control in sinusoidal steady state.
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.