Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “forcing fields”

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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

An improved computational technique for calculating electromagnetic forces and power absorptions generated in spherical and deformed body in levitation melting devices

An improved computational technique for calculating the electromagnetic force field, the power absorption and the deformation of an electromagnetically levitated metal sample is described. The technique is based on the volume integral method, but represents a substantial refinement; the coordinate transformation employed allows the efficient treatment of a broad class of rotationally symmetrical bodies. Computed results are presented to represent the behavior of levitation melted metal samples in a multi-coil, multi-frequency levitation unit to be used in microgravity experiments. The theoretical predictions are compared with both analytical solutions and with the results of previous computational efforts for the spherical samples and the agreement has been very good. The treatment of problems involving deformed surfaces and actually predicting the deformed shape of the specimens breaks new ground and should be the major usefulness of the proposed method.

Zong, Jin-Ho↗
NASA NTRS1992

The structures, binding energies and vibrational frequencies of Ca3 and Ca4: An application of the CCSD(T) method

The Ca3 and Ca4 metallic clusters have been investigated using state-of-the-art ab initio quantum mechanical methods. Large atomic natural orbital basis sets have been used in conjunction with the singles and doubles coupled-cluster (CCSD) method, a coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), and the multireference configuration interaction (MRCI) method. The equilibrium geometries, binding energies and harmonic vibrational frequencies have been determined with each of the methods so that the accuracy of the coupled-cluster methods may be assessed. Since the CCSD(T) method reproduces the MRCI results very well, cubic and quartic force fields of Ca3 and Ca4 have been determined using this approach and used to evaluate the fundamental vibrational frequencies. The infrared intensities of both the e' mode of Ca3 and the t2 mode of Ca4 are found to be small. The results obtained in this study are compared and contrasted with those from our earlier studies on small Be and Mg clusters.

Lee, Timothy J.↗
NASA NTRS1992

Experimenter's data package for the descending layers rocket

In response to a proposal from Science Applications International Corporation (SAIC), NASA Headquarters has approved a sounding rocket mission designed to study the physics of intermediate layers in the Earth's ionosphere at middle latitudes. The experiment will be carried out by a team of scientists and engineers from the NASA Wallops Flight Facility, SAIC, the NASA Goddard Space Flight Center, and the Millstone Hill radar observatory. The mission will involve the launch of an instrumented sounding rocket from the Wallops Island rocket range in the summer of 1994, with the objective of penetrating a descending ionized layer in the E-region between altitudes of 115 and 140 km. Instrumentation aboard the rocket will measure the ion and neutral composition of the layer, its plasma density, driving wind and electric field forces, the thermal ion distribution function, and electron temperature. Depending on payload weight constraints and subject to availability, a particle detector to measure energetic ion and/or electron fluxes near the layer may also be included. This document was prepared as a reference for the NASA payload development and experiment teams, for distribution at the Project Initiation Conference (PIC). The design specifications discussed herein are therefore of a preliminary nature; the intent is to promote open discussions between experimenters and NASA engineers that will lead to a final design capable of achieving the experiment objectives.

Earle, Greg↗
NASA NTRS1991

National launch system overview with focus on cargo transfer vehicle

As a result of the Augustine Committee's recommendation to the National Space Council, NASA, and the DOD have embarked on a joint program to provide the nation with a new capability for transporting payloads into space. The National Launch System (NLS) consists of a family of modular launch vehicles, combining elements of current launchers (Titan and Shuttle) with newly developed components. This family consists of (1) NLS-1 (a vehicle capable of delivering 80 k to SSF), (2) NLS-2 (a vehicle capable of delivering 50k to LEO), and (3) NLS-3 (a vehicle capable of delivering 20 k to LEO). Management of the program is shared between the two agencies with a Joint Program Office carrying out the level 2 management and integration function while both the NASA and Air Force field organizations are charged with the various development and operational responsibilities.

Buchanan, Harry↗
NASA NTRS1992

The electrodynamic and hydrodynamic phenomena in magnetically-levitated molten droplets. I - Steady state behavior

A mathematical formulation is given and computed results are presented describing the behavior of electromagnetically-levitated metal droplets under the conditions of microgravity. In the formulation the electromagnetic force field is calculated using a modification of the volume integral method and these results are then combined with the FIDAP code to calculate the steady state melt velocities. The specific computational results are presented for the conditions corresponding to the planned IML-2 Space Shuttle experiment, using the TEMPUS device, which has separate 'heating' and 'positioning' coils. While the computed results are necessarily specific to the input conditions, some general conclusions may be drawn from this work. These include the fact that for the planned TEMPUS experiments to positioning coils will produce only a weak melt circulation, while the heating coils are like to produce a mildly turbulent recirculating flow pattern within the samples. The computed results also allow us to assess the effect of sample size, material properties and the applied current on these phenomena.

Zong, Jin-Ho↗
NASA NTRS1992

Modeling the seasonal variability of a coupled Arctic ice-ocean system

The seasonal variability of the ice-ocean system in the Arctic Basin and the Norwegian, Greenland, and Barents Seas was modeled using a three-dimensional coupled ice-ocean model developed at Princeton University. The snow-ice model uses a three-level thermodynamic scheme similar to Semtner's (1976), but is extended to include the effect of leads. It is shown that simulations using the climatological monthly forcing fields produce a realistic seasonal variability of the ice cover. The ice thickness had a considerable sensitivity to the choice of the long-wave back radiation scheme, but these effects can be reduced through dynamical factors.

Hakkinen, Sirpa↗
NASA NTRS1993

The nature of the hydrogen tori of Titan and Triton

The nature of the hydrogen tori of Titan and Triton is examined. Critical time scales of the two tori are discussed. For the Titan torus, where atom-atom collisions are not important, the time scale for solar radiation pressure to act on the system is shown to be comparable to the hydrogen lifetime due to ionization and charge exchange losses by solar, magnetospheric, and solar wind processes. The solar radiation pressure then provides a mechanism which destroys the initial azimuthal symmetry of the hydrogen atom orbits about the planet and causes atom orbits to move inward and to collide with the planet on its dusk side. For Triton, the atom-atom collision time scale dominates all other time scales in the system. The evolution of the torus is then an inherently nonlinear problem that depends upon the collisional redistribution of atom-orbit velocities in the presence of a planetary gravitational force field. This nonlinear process introduces an expansion mechanism into the torus problem which dramatically alters its structure.

Smyth, William H.↗
NASA NTRS1993

Extra-corporeal blood access, sensing, and radiation methods and apparatuses

The described invention is related to extra-corporeal blood access and radiation methods and apparatuses and, in particular, to subjecting flowing blood to energy in variety of forms, including radiation, electromagnetic force fields or atomic particles. It is directed to methods and apparatuses for accessing flowing blood and for subjecting the blood to electrical conductive, electrostatic or electromagnetic fields or for radiating the blood with some type of radiation, e.g., radio waves, ultrasonic or audio waves, microwaves, IR rays, visible light, UV radiation, x-rays, alpha, beta or gamma rays. An apparatus is employed which includes one or more access ports or windows for radiating blood and/or for sensing/analyzing blood. This invention is useful for killing viruses and bacteria in blood, monitoring blood for medical purposes, genetic modification of blood, and analyzing and/or treating blood components.

Castle, Kent D.↗
NASA NTRS1994

Early development of Xenopus embryos is affected by simulated gravity

Early amphibian (Xenopus laevis) development under clinostat-simulated weightlessness and centrifuge-simulated hypergravity was studied. The results revealed significant effects on (i) 'morphological patterning' such as the cleavage furrow pattern in the vegetal hemisphere at the eight-cell stage and the shape of the dorsal lip in early gastrulae and (ii) 'the timing of embryonic events' such as the third cleavage furrow completion and the dorsal lip appearance. Substantial variations in sensitivity to simulated force fields were observed, which should be considered in interpreting spaceflight data.

Yokota, Hiroki↗
NASA NTRS1996

Computational Materials Research

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.

Hinkley, Jeffrey A.↗
NASA NTRS1995

Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric Chemistry

The equilibrium structures, harmonic vibrational frequencies, quadratic force fields, dipole moments, and IR intensities of several triatomic bromine compounds of known or potential importance in stratospheric ozone depletion chemistry have been determined using the CCSD(T) electron correlation method in conjunction with a basis set of triple zeta double polarized (TZ2P) quality. Specifically, the molecules included in the present study are HOBr, HBrO, FOBr, FBrO, BrNO, BrON, Br2O, BrBrO, BrCN, BrNC, ClOBr, ClBrO, and BrClO. Very accurate isomeric energy differences have also been determined at the CCSD(T) level with atomic natural orbital basis sets that include through g-type functions. In most cases, the isomer with a normal neutral Lewis dot structure is the lowest energy form, with the single exception that FBRO is predicted to be 11.1 kcal/mol (0 K) lower in energy than FOBr. In all cases, however, the hypervalent isomer is more stable relative to the isomer with a normal Lewis dot structure as compared to the chlorine analogs. Consistent with this observation, the energy of the last three molecules given above increases in the order ClOBr less than ClBrO less than BrClO. The CCSD(T)/TZ2P geometries and vibrational frequencies are in good agreement with the available experimental data. Heats of formation are determined for all species using a combination of theoretical isomeric, homodesmic, and isodesmic reaction energies. The accuracy of these quantities is ultimately dependent on the reliability of the experimental heat of formation of HOBr.

Lee. Timothy J.↗
NASA NTRS1995

The Heat of Formation of HNO

The HNO molecule is of interest in both combustion and atmospheric chemistry. For example, Guadagnini et al. have recently presented ab initio potential energy surfaces for the three lowest lying electronic states of HNO and then used these in examining several chemical reactions that take place in the combustion of nitrogen containing fuels and in the oxidation of atmospheric nitrogen. We have previously studied the ground state potential energy surface (i.e., stationary points along the HNO rev. reaction HON path), vibrational spectrum (using an accurate quartic force field), zero-point energy, and bonding of HNO using coupled-cluster ab initio methods. HNO is also very interesting because of the unique nature of its bonding characteristics. That is, the potential energy surface is very flat along the H-N bonding coordinate thereby giving unusual harmonic and fundamental vibrational frequencies, and the H-N bond energy is rather weak in comparison to other H-N bond energies. In fact, using experimental heats of formation for HO, H, and NO, the H- bond energy is computed to be only 49.9 kcal/ mol (298 K). However, ab initio calculations of isodesmic reaction energies involving HNO, FNO, ClNO, and several other molecules have shown that there is an inconsistency in the experimental heats of formation of the XNO (X=H, F, and Cl) species. Hence the motivation for this study was to determine a very accurate(DELTA)H(sup o)(sub f) value for HNO using state of-the-art ab initio methods. Based on many recent studies it is evident that the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T), in conjunction with large one-particle basis sets should be reliable to better than +0.8 kcal/mol for this quantity. The computational methodology is described in the next section followed by our results and discussion. Conclusions are presented in the final section.

Lee, Timothy J.↗
NASA NTRS1995

Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric Chemistry

The equilibrium structures, harmonic vibrational frequencies, quadratic force fields, dipole moments, and IR intensities of several triatomic bromine compounds of known or potential importance in stratospheric ozone depletion chemistry have been determined using the CCSD(T) electron correlation method in conjunction with a basis set of triple zeta double polarized (TZ2P) quality. Specifically, the molecules included in the present study are HOBr, HBrO, FOBr, FBrO, BrNO, BrON, Br2O, BrBrO, BrCN, BrNC, ClOBr, ClBrO, and BrClO. Very accurate isomeric energy differences have also been determined at the CCSD(T) level with atomic natural orbital basis sets that include through g-type functions. In most cases, the isomer with a normal neutral Lewis dot structure is the lowest energy form, with the single exception that FBrO is predicted to be 11.1 kcal/mol (0 K) lower in energy than FOBr. In all cases, however, the hypervalent isomer is more stable relative to the isomer with a normal Lewis dot structure as compared to the chlorine analogs. Consistent with this observation, the energy of the last three molecules given above increases in the order ClOBr less than ClBrO less than BrClO. The CCSD(T)/TZ2P geometries and vibrational frequencies are in good agreement with the available experimental data. Heats of formation are determined for all species using a combination of theoretical isomeric, homodesmic, and isodesmic reaction energies. The accuracy of these quantities is ultimately dependent on the reliability of the experimental heat of formation of HOBr.

Lee, Timothy J.↗
NASA NTRS1995

The Heat of Formation of HNO

The HNO molecule is of interest in both combustion and atmospheric chemistry. For example, Guadagnini et al. have recently presented ab initio potential energy surfaces for the three lowest lying electronic states of HNO and then used these in examining several chemical reactions that take place in the combustion of nitrogen containing fuels and in the oxidation of atmospheric nitrogen. We have previously studied the ground state potential energy surface (i.e., stationary points along the HNO reversible reaction HON path), vibrational spectrum (using an accurate quartic force field), zero-point energy, and bonding of HNO using coupled-cluster ab initio methods. HNO is also very interesting because of the unique nature of its bonding characteristics. That is, the potential energy surface is very flat along the H-N bonding coordinate thereby giving unusual harmonic and fundamental vibrational frequencies, and the H-N bond energy is rather weak in comparison to other H-N bond energies. In fact, using experimental heats of formation for HNO, H, and NO, the H- bond energy is computed to be only 49.9 kcal/ mol (298 K). However, ab initio calculations of isodesmic reaction energies involving HNO, FNO, ClNO, and several other molecules have shown that there is an inconsistency in the experimental heats of formation of the XNO (X double bond H, F, and Cl) species. Hence the motivation for this study was to determine a very accurate (Delta)H(sub f, sup o) value for HNO using state-of-the-art ab initio methods. Based on many recent studies it is evident that the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T), in conjunction with large one-particle basis sets should be reliable to better than +/- 0.8 kcal/mol for this quantity. The computational methodology is described in the next section followed by our results and discussion. Conclusions are presented in the final section.

Lee, Timothy J.↗
NASA NTRS1992

An Improved Computational Technique for Calculating Electromagnetic Forces and Power Absorptions Generated in Spherical and Deformed Body in Levitation Melting Devices

An improved computational technique for calculating the electromagnetic force field, the power absorption and the deformation of an electromagnetically levitated metal sample is described. The technique is based on the volume integral method, but represents a substantial refinement; the coordinate transformation employed allows the efficient treatment of a broad class of rotationally symmetrical bodies. Computed results are presented to represent the behavior of levitation melted metal samples in a multi-coil, multi-frequency levitation unit to be used in microgravity experiments. The theoretical predictions are compared with both analytical solutions and with the results or previous computational efforts for the spherical samples and the agreement has been very good. The treatment of problems involving deformed surfaces and actually predicting the deformed shape of the specimens breaks new ground and should be the major usefulness of the proposed method.

Zong, Jin-Ho↗
NASA NTRS1999

The Role of Data Assimilation in the Study of Regional and Global Variability of the Hydrological Cycle

In the coming years, researchers will have at their disposal a host of new observations from advanced space-based sensors (e.g. the Tropical Rainfall Measuring Mission, EOS Terra and PM missions) providing, among other things, a more complete and accurate description of various components of the Earth's hydrological cycle. Also, increasingly more sophisticated and comprehensive geophysical models will provide researchers better tools for simulating the hydrological cycle, and for carrying out mechanistic studies of the role of moist processes in the climate system. In addition, new data sets generated with global four-dimensional data assimilation (4DDA) systems will provide comprehensive and complete information on both the state and forcing of the climate system. Ideally, the 4DDA systems optimally incorporate all relevant information from the observations together with a first guess from a state-of-the-art geophysical model to produce a "best" estimate of the climate state. Furthermore, to the extent that the assimilating models are realistic and are constrained by the observations, they should provide reliable estimates of the associated physical processes or climate forcing fields. While operational weather centers now have a considerable history of providing reliable estimates of the basic atmospheric state variables, the associated processes or diagnostic fields (which are less well constrained by the observations and sensitive to errors in the model's physical parameterizations) are still considered experimental and of uncertain quality. In this study we will examine the current generation of reanalysis products to assess the capabilities of 4DDA systems to represent components of the hydrological cycle. The focus is on the role of the model in providing consistent estimates of moist processes. We will also assess whether current observations provide sufficient constraints on these model- generated fields.

Schubert, Siegfried↗
NASA NTRS2000

The Rotational Spectrum of Iodine Dioxide, OIO

The rotational spectra of OIO in its ground vibrational and first excited bending states have been observed for the first time. OIO was formed initially from the products of a microwave discharge in O2 passing over molecular iodine and later with greater yield in a DC discharge through a mixture of O2 and I2 vapor. OIO is an asymmetric prolate rotor (kappa = -0.690) with a (sup 2)B(sub 1) electronic ground state. Over 550 ground state transitions and over 160 transitions of the excited bending state have been included in the fits. The resulting parameters are well determined and will be compared to those recently published for OBrO and OClO. These will be interpreted in terms of the molecular geometry, harmonic force field, and electronic structure.

Miller, Charles E.↗
NASA NTRS1997

Dibromine Monoxide, Br2O: The Rotational Spectrum and Molecular Properties

The rotational spectra of (79)Br2O, (79)BrO(81)Br, and Br2O in their ground vibrational states as well as (79)BrO(81)Br in its v (sub 2) = 1 state have been studied in selected regions between 90 and 523 GHz. Transitions involving a large range of quantum numbers, 6 less than or equal to J less than or equal to 123 and 0 less than or equal to K (sub a) less than or equal to 12, have been observed permitting precise rotational and a large set of centrifugal distortion constants to be determined. All isotopic species as well as the excited state data were fit simultaneously. Ground-state effective and average structural parameters as well as an estimate of the equilibrium structure have been derived. The quartic distortion constants were used for a calculation of the harmonic force field. The complete quadrupole tensor has been determined. Its diagonalization reveals a largely covalent BrO bond with little pi-bonding. The derived properties of Br2O are compared with those of related compounds such as Cl2O, HOBR, and HOCl.

Mueller, Holger S. P.↗