Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “numerical calculations: variational”

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.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Cooling flows and the stability of radio jets

This paper considers what happens to radio jets which, propagating out from the nucleus of an elliptical galaxy, encounters a point at which the ambient gas pressure increases very rapidly. The pressure variation within the sonic radius of a cooling flow is calculated, and a semianalytical calculation of the stability of a jet which encounters a rapidly increasing pressure gradient is given. The results of numerical hydrodynamic simulations which test the results of the analytic calculations are shown. The case where the jet encounters the sonic region at an oblique angle is considered, and it is suggested that this may provide an explanation for jets which are bent on small scales. These results are applied to radio sources associated with central dominant cluster galaxies and with more normal elliptical galaxies.

Soker, Noam↗
DOE OSTI2020

Many-body electronic structure of LaScO 3 by real-space quantum Monte Carlo

We present real space quantum Monte Carlo (QMC) calculations of the scandate LaSc0 3 that proved to be challenging for traditional electronic structure approaches due to strong correlation effects resulting in inaccurate band gaps from DFT and GW methods when compared with existing experimental data. Besides calculating an accurate QMC band gap corrected for supercell size biases and in agreement with numerous experiments, we also predict the cohesive energy of the crystal using the standard fixed-node QMC without any empirical or non-variational parameters. We show that promotion (optical) gap and fundamental gap agree with each other illustrating a clear absence of significant excitonic effects in the ideal crystal. We obtained these results in perfect consistency in two independent tracks that employ different basis sets (plane wave vs. localized gaussians), different codes for generating orbitals (QUANTUM ESPRESSO vs. CRYSTAL), different QMC codes (QMCPACK vs. QWALK) and different high-accuracy pseudopotentials (ccECPs vs. Troullier-Martins) presenting the maturity and consistency of QMC methodology and tools for studies of strongly correlated problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1975

Second-order small-disturbance solutions for hypersonic flow over power-law bodies

Similarity solutions were found which give the adiabatic flow of an ideal gas about two-dimensional and axisymmetric power-law bodies at infinite Mach number to second order in the body slenderness parameter. The flow variables were expressed as a sum of zero-order and perturbation similarity functions for which the axial variations in the flow equations separated out. The resulting similarity equations were integrated numerically. The solutions, which are universal functions, are presented in graphic and tabular form. To avoid a singularity in the calculations, the results are limited to body power-law exponents greater than about 0.85 for the two-dimensional case and 0.75 for the axisymmetric case. Because of the entropy layer induced by the nose bluntness (for power-law bodies other than cones and wedges), only the pressure function is valid at the body surface. The similarity results give excellent agreement with the exact solutions for inviscid flow over wedges and cones having half-angles up to about 20 deg. They give good agreement with experimental shock-wave shapes and surface-pressure distributions for 3/4-power axisymmetric bodies, considering that Mach number and boundary-layer displacement effects are not included in the theory.

Townsend, J. C.↗
NASA NTRS1986

Variational calculations of subbands in a quantum well with uniform electric field - Gram-Schmidt orthogonalization approach

Variational calculations of subband eigenstates in an infinite quantum well with an applied electric field using Gram-Schmidt orthogonalized trial wave functions are presented. The results agree very well with the exact numerical solutions even up to 1200 kV/cm. It is also shown that, for increasing electric fields, the energy of the ground state decreases, while that of higher subband states increases slightly up to 1000 kV/cm and then decreases for a well size of 100 A.

Ahn, Doyeol↗
NASA NTRS1992

Radiation Transport Around Axisymmetric Blunt Body Vehicles Using a Modified Differential Approximation

A moment method for computing 3-D radiative transport is applied to axisymmetric flows in thermochemical nonequilibrium. Such flows are representative of proposed aerobrake missions. The method uses the P-1 approximation to reduce the governing system of integro-di erential equations to a coupled set of partial di erential equations. A numerical solution method for these equations given actual variations of the radiation properties in thermochemical nonequilibrium blunt body flows is developed. Initial results from the method are shown and compared to tangent slab calculations. The agreement between the transport methods is found to be about 10 percent in the stagnation region, with the difference increasing along the flank of the vehicle.

Hartung, Lin C.↗
NASA NTRS1994

The ozone depletion potentials on halocarbons: Their dependence of calculation assumptions

The concept of Ozone Depletion Potential (ODP) is widely used in the evaluation of numerous halocarbons and of their replacement effects on ozone, but the methods, assumptions and conditions used in ODP calculations have not been analyzed adequately. In this paper a model study of effects on ozone of the instantaneous releases of various amounts of CH3CCl3 and of CHF2Cl (HCFC-22) for several compositions of the background atmosphere are presented, aimed at understanding connections of ODP values with the assumptions used in their calculations. To facilitate the ODP computation in numerous versions for the long time periods after their releases, the above rather short-lived gases and the one-dimensional radiative photochemical model of the global annually averaged atmospheric layer up to 50 km height are used. The variation of released gas global mass from 1 Mt to 1 Gt leads to ODP value increase with its stabilization close to the upper bound of this range in the contemporary atmosphere. The same variations are analyzed for conditions of the CFC-free atmosphere of 1960's and for the anthropogenically loaded atmosphere in the 21st century according to the known IPCC 'business as usual' scenario. Recommendations for proper ways of ODP calculations are proposed for practically important cases.

Karol, Igor L.↗
NASA NTRS2008

Unsteady Analysis of Blade and Tip Heat Transfer as Influenced by the Upstream Momentum and Thermal Wakes

The effect of the upstream wake on the blade heat transfer has been numerically examined. The geometry and the flow conditions of the first stage turbine blade of GE s E3 engine with a tip clearance equal to 2 percent of the span was utilized. Based on numerical calculations of the vane, a set of wake boundary conditions were approximated, which were subsequently imposed upon the downstream blade. This set consisted of the momentum and thermal wakes as well as the variation in modeled turbulence quantities of turbulence intensity and the length scale. Using a one-blade periodic domain, the distributions of unsteady heat transfer rate on the turbine blade and its tip, as affected by the wake, were determined. Such heat transfer coefficient distribution was computed using the wall heat flux and the adiabatic wall temperature to desensitize the heat transfer coefficient to the wall temperature. For the determination of the wall heat flux and the adiabatic wall temperatures, two sets of computations were required. The results were used in a phase-locked manner to compute the unsteady or steady heat transfer coefficients. It has been found that the unsteady wake has some effect on the distribution of the time averaged heat transfer coefficient on the blade and that this distribution is different from the distribution that is obtainable from a steady computation. This difference was found to be as large as 20 percent of the average heat transfer on the blade surface. On the tip surface, this difference is comparatively smaller and can be as large as four percent of the average.

Ameri, Ali A.↗
DOE OSTI2021

Composite anyons on a torus

An adiabatic approach put forward by Greiter and Wilczek interpolates between the integer quantum Hall effects of electrons and composite fermions by varying the statistical flux bound to electrons continuously from zero to an even integer number of flux quanta, such that the intermediate states represent anyons in an external magnetic field with the same “effective” integer filling factor. We consider such anyons on a torus, and construct representative wave functions for their ground as well as excited states. These wave functions involve higher Landau levels in general, but can be explicitly projected into the lowest Landau level for many parameters. We calculate the variational energy gap between the first excited state and ground state and find that it remains open as the statistical phase is varied. Lastly, we obtain from these wave functions, both analytically and numerically, various topological quantities, such as ground-state degeneracy, the Chern number, and the Hall viscosity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Microwave brightness of polar firn as measured by Nimbus 5 and 6 ESMR

The microwave emission from a half-space medium characterized by coordinate dependent scattering and absorbing centers was calculated by numerically solving the radiative transfer equation by the method of invariant imbedding. A Mie scattering phase function and surface polarization was included in the calculation. Also included are the physical temperature profile and the temperature variation of the index of refraction for ice. Using published values of grain size and temperature profile data of polar firn, the brightness temperature was calculated for the 1.55 cm and 0.8 cm wavelengths. For selected regions in Greenland and Antarctica, the results are in reasonable agreement with the observed Nimbus-5 and Nimbus-6 ESMR data.

Chang, A. T. C.↗
DOE OSTI2023

Nonequilibrium spectral moment sum rules of the Holstein–Hubbard model

Abstract We derive a general procedure for evaluating the n th derivative of a time-dependent operator in the Heisenberg representation and employ this approach to calculate the zeroth to third spectral moment sum rules of the retarded electronic Green’s function and self-energy for a system described by the Holstein–Hubbard model allowing for arbitrary spatial and time variation of all parameters (including spatially homogeneous electric fields and parameter quenches). For a translationally invariant (but time-dependent) Hamiltonian, we also provide sum rules in momentum space. The sum rules can be applied to various different phenomena like time-resolved angle-resolved photoemission spectroscopy and benchmarking the accuracy of numerical many-body calculations. This work also corrects some errors found in earlier work on simpler models.

Physics↗
DOE OSTI2025

Overset-Grid Method with Smooth Orbital Partitioning for Molecular Scattering Calculations

To solve molecular photoionization and electron scattering problems, we use an overset-grid representation of electronic continuum functions, which has an extended central spherical grid that overlaps small spherical grids (subgrids) centered on each atom of a polyatomic molecule. Here, in this work, we present an improved algorithm that smoothly partitions the total wave function between the central grid and the atomic subgrids. The smooth partitioning allows one to use approximately one-fourth the number of partial waves on the central grid compared to our previous implementation with switching functions. The resulting numerical method for treating electron scattering and photoionization of polyatomic molecules combines the accuracy and flexibility of pure numerical grid representations with the rapid convergence of hybrid combinations of atom-centered basis-set expansions and grid methods. The overset-grid representation is implemented using the complex Kohn variational principle for scattering and photoionization amplitudes. The faster convergence with respect to the number of central grid partial waves is demonstrated and accuracy is verified by comparisons with the previous implementation and with far more computationally demanding single-center numerical expansions in electron-molecule scattering and photoionization calculations on the neon dimer (Ne 2 ) system, carbon tetrafluoride (CF 4 ) molecule, and the pyridine (C 5 H 5 N) molecule in the static-exchange approximation.

Molecules↗
DOE OSTI2024

Relating Hydro–Mechanical and Elastodynamic Properties of Dynamically Stressed Tensile–Fractured Rock in Relation to Applied Normal Stress, Fracture Aperture, and Contact Area

We exploit nonlinear elastodynamic properties of fractured rock to probe the micro-scale mechanics of fractures and understand the relation between fluid transport and fracture aperture under dynamic stressing. Experiments were conducted on rough, tensile-fractured Westerly granite subject to triaxial stresses. We measure fracture permeability for steady-state fluid flow with deionized water. Pore pressure oscillations are applied at amplitudes ranging from 0.2 to 1 MPa at 1 Hz frequency. During dynamic stressing we transmit ultrasonic signals through the fracture using an array of piezoelectric transducers (PZTs) to monitor evolution of interface properties. We examine the influence of fracture aperture and contact area by conducting measurements at effective normal stresses of 10–20 MPa. Additionally, the evolution of contact area with stress is characterized using pressure sensitive film. These experiments are conducted separately with the same fracture and map contact area at stresses from 9 to 21 MPa. The measurements are a proxy for “true” contact area for the fracture surface and we relate them to elastic properties using the calculated PZT sensor footprints via numerical modeling of Fresnel zones. We compare the elastodynamic response of the fracture using the stress-induced changes in ultrasonic wave velocities for transmitter-receiver pairs to image spatial variations in contact properties. We show that nonlinear elasticity and permeability enhancement decrease with increasing normal stress. Additionally, post-oscillation wave velocity and permeability exhibit quick recoveries toward pre-oscillation values. Estimates of fracture contact area (global and local) demonstrate that the elastodynamic and permeability responses are dominated by fracture topology.

58 GEOSCIENCES↗
NASA NTRS1999

Satellite Altimetry, Ocean Circulation, and Data Assimilation

Ocean circulation is a critical factor in determining the Earth's climate. Satellite altimetry has been proven a powerful technique for measuring the height of the sea surface for the study of global ocean circulation dynamics. A major objective of my research is to investigate the utility of altimeter data for ocean circulation studies. The 6 years' data record of TOPEX/POSEIDON have been analyzed to study the spatial and temporal characteristics of large-scale ocean variability. A major result obtained in 1998 is the discovery of large-scale oscillations in sea level with a period of 25 days in the Argentine Basin of the South Atlantic Ocean (see diagram). They exhibit a dipole pattern with counterclockwise rotational propagation around the Zapiola Rise (centered at 45S and 317E), a small seamount in the abyssal plain of the basin. The peak-to-trough amplitude is about 10 cm over a distance of 500-1000 km. The amplitude of these oscillations has large seasonal-to-interannual variations. The period and rotational characteristics of these oscillations are remarkably similar to the observations made by two current meters deployed near the ocean bottom in the region. What TOPEX/POSEIDON has detected apparently are manifestations of the movement of the entire water column (barotropic motion). The resultant transport variation is estimated to be about 50 x 10(exp 6) cubic M/S, which is about 50% of the total water transport in the region. Preliminary calculations suggest that these oscillations are topographically trapped waves. A numerical model of the South Atlantic is used to investigate the nature of and causes for these waves. A very important property of sea surface height is that it is directly related to the surface geostrophic velocity, which is related to deep ocean circulation through the density field. Therefore altimetry observations are not only useful for determining the surface circulation but also for revealing information about the deep ocean. Another objective of my research is to investigate the extent of information one can infer about the deep ocean from altimetric observations. The approach is data assimilation by ocean models. The objective is to develop a modeling/data assimilation system that will produce estimates of the 3-dimensional state of the ocean for the entire duration of the TOPEX/POSEIDON Mission.

Fu, Lee-Lueng↗
NASA NTRS2011

Fiber Optic Thermal Detection of Composite Delaminations

A recently developed technique is presented for thermographic detection of delaminations in composites by performing temperature measurements with fiber optic Bragg gratings. A single optical fiber with multiple Bragg gratings employed as surface temperature sensors was bonded to the surface of a composite with subsurface defects. The investigated structure was a 10-ply composite specimen with prefabricated delaminations of various sizes and depths. Both during and following the application of a thermal heat flux to the surface, the individual Bragg grating sensors measured the temporal and spatial temperature variations. The data obtained from grating sensors were analyzed with thermal modeling techniques of conventional thermography to reveal particular characteristics of the interested areas. Results were compared and found to be consistent with the calculations using numerical simulation techniques. Also discussed are methods including various heating sources and patterns, and their limitations for performing in-situ structural health monitoring.

Wu, Meng-Chou↗
NASA NTRS1980

A dynamic analysis of the motion of a low-wing general aviation aircraft about its calculated equilibrium flat spin mode

The properties of the flat spin mode of a general aviation configuration have been studied through analysis of rotary balance data, numerical simulation, and analytical study of the equilibrium state. The equilibrium state is predicted well from rotary balance data. The variations of yawing moment and pitching moment as functions of sideslip have been shown to be of great importance in obtaining accurate modeling. These dependencies are not presently available with sufficient accuracy from previous tests or theories. The stability of the flat spin mode has been examined extensively using numerical linearization, classical perturbation methods, and reduced order modeling. The stability exhibited by the time histories and the eigenvalue analyses is shown to be strongly dependent on certain static cross derivatives and more so on the dynamic derivatives. Explicit stability criteria are obtained from the reduced order models.

Tischler, M. B.↗
NASA NTRS1996

Multiphoton Process and Anomalous Potential of Cell Membrane by Laser Radiation

In this paper, by the use of quantum biology and quantum optics, the laser induced potential variation of cell membrane has been studied. Theoretically, we have found a method of calculating the monophoton and multiphoton processes in the formation of the anomalous potential of cell membrane. In contrast with the experimental results, our numerical result is in the same order. Therefore, we have found the possibility of cancer caused by the laser induced anomalous cell potential.

Zhang, Kaixi↗
NASA NTRS1992

Rapid time variations and radiative instabilities of astrophysical masers

The time-varying intensities are obtained for astrophysical masers that are radiatively unstable. Numerical integrations of the time-dependent, nonlinear equations of radiative transfer are performed with the usual approximation of a linear maser. At long times after changes in the physical conditions, the intensity of maser radiation reaches an asymptotic behavior and oscillates permanently in these idealized calculations with a period that is related to the length of the maser divided by the speed of light. The intensity varies by more than a factor of 10. These intensities depend upon the same four parameters as we originally found to determine the regime for radiative instabilities based on a stability analysis of the steady state. A detailed comparison is made between the predictions of the stability analysis and the time variations of the intensities. Calculations are performed for interacting pairs as well as isolated, individual masers.

Scappaticci, Gerardo A.↗