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Results for “interaction potential”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

van der Waals force between positronium and hydrogenic atoms Finite-mass corrections

The Feshbach projection-operator formalism is used to derive the asymptotic effective interaction potential between two atoms. Beyond the usual van der Waals potential, falling like x exp -6, three x exp -8 terms are also obtained: an attractive dipole-quadrupole term (absent in the positronium-positronium case because of symmetry), a repulsive energy-dependent term, and a repulsive mass-dependent but energy-independent one. This last term was not obtained by Manson and Ritchie (1985) using an independent method.

Au, C. K.↗
NASA NTRS1987

Space Station lubrication considerations

Future activities in space will require the use of large structures and high power availability in order to fully exploit opportunities in Earth and stellar observations, space manufacturing and the development of optimum space transportation vehicles. Although these large systems will have increased capabilities, the associated development costs will be high, and will dictate long life with minimum maintenance. The Space Station provides a concrete example of such a system; it is approximately one hundred meters in major dimensions and has a life requirement of thirty years. Numerous mechanical components will be associated with these systems, a portion of which will be exposed to the space environment. If the long life and low maintenance goals are to be satisfied, lubricants and lubrication concepts will have to be carefully selected. Current lubrication practices are reviewed with the intent of determining acceptability for the long life requirements. The effects of exposure of lubricants and lubricant binders to the space environment are generally discussed. Potential interaction of MoS2 with atomic oxygen, a component of the low Earth orbit environment, appears to be significant.

Leger, Lubert J.↗
NASA NTRS1987

Small Al clusters. II - Structure and binding in Al(n) (n = 2-6, 13)

The structure and stability of aluminum clusters containing up to six atoms have been studied using correlated wave functions and extended basis sets. The lowest energy structure is planar for Al4 and Al5, but three dimensional for Al6. The icosahedral, hcp, fcc, and two planar structures of Al13 were considered at the SCF level. The lowest energy structure is the icosahedron, but the planar structures are fairly low lying even in this case. A simplified description using two- and three-body interaction potentials is found to agree well with the ab initio structures and binding energies.

Pettersson, Lars G. M.↗
NASA NTRS1988

An exactly solvable model for calculating critical misfit and thickness in epitaxial superlattices - Layers of equal elastic constants and thicknesses

A parabolic interaction potential has been used to develop a model for calculating the misfit dislocation (MD) energy in the case of a superlattice of alternating layers of materials with equal elastic constants and thicknesses. The model, which is believed to be a good one for small misfits and to have some merit for covalent bonded materials, is exactly solvable for the critical thickness above which it is energetically favorable to lose coherency by the introduction of MDs into the interfaces. It was found, for a given misfit f, that the critical thickness for epitaxial superlattices free from their substrate is somewhat more than four times that for a single epilayer on a thick substrate. Furthermore, the critical thickness varies almost inversely with misfit to the power 1.22 when Poisson's ratio is 1/3. It was also shown that the critical misfit f(c) obtained by equating maximal misfit strain and MD energies is a significant overestimate of f(c). The results for a superlattice are compared with those of a thin layer on a thick substrate.

Van Der Merwe, Jan H.↗
NASA NTRS1989

Influence of charging environments on spacecraft materials and system performance

An overview is presented of potential interactions that can occur on spacecraft operating in space environments. These interactions are discussed in detail. The environment acts on spacecraft in such a way that charging of exterior surfaces occurs. The consequences from this charging then affect system operational performance. Hence, it is the coupling of this exterior charging to system performance that is of concern here. These interactions were first discovered in the spacecraft charging phenomena in which the geomagnetic substorms charged external surfaces to a level that discharges occurred. As a result of the discharge, electronic systems either changed logic state (anomalous switching) or failed. These interactions can occur in all orbits. The type associated with geosynchronous orbits is called passive since the environment provides the charging mechanism. This type can also occur in polar orbits due to auroral charging environments. In low Earth orbits, the thermal plasma alleviates charging environment concerns, but system operations can induce similar effects.

Stevens, N. John↗
NASA NTRS1988

Collisional excitation of interstellar water

Rates for rotational excitation of water molecules in collisions with He atoms have been obtained from a new, accurate theoretical interaction potential. Rates among the lowest 40 ortho levels are given for kinetic temperatures to 1400 K and among the lowest 29 para levels for kinetic temperatures to 800 K.

Palma, Amedeo↗
NASA NTRS1989

Design, analysis, and testing of a hybrid scale structural dynamic model of a Space Station

The impracticality of testing the fully-assembled on-orbit configurations of future large erectable space platforms fosters an increased reliance on other means for verifying predicted structural dynamic performance. One option is scale modeling. This paper discusses the design of a hybrid scale dynamic test model of the Freedom Space Station and its associated suspension system. Hybrid scaling laws are reviewed, followed by scale factor trades, component design examples, and an analytical evaluation of the overall model fidelity. Component and subassembly test results from a six-bay hybrid scale model truss are presented. Potential interactions of gravity and the suspension system with the free-free dynamics of the scale model are investigated. Suspension system design parameters, such as the number, location, mass, and stiffness of the suspension devices are traded to minimize undesirable interactions and form the basis for an overall suspension system concept for the scale model.

Gronet, Marc J.↗
NASA NTRS1989

Pressure broadening and line coupling in bending bands of CO2

The pressure broadening and line coupling cross sections in the Fano-Ben Reuven theory of line shapes are calculated for bending bands of CO2 in a bath of He atoms. Molecular collision dynamics are simplified by invoking the infinite order sudden (IOS) approximation for molecular rotational and vibrational angular momentum in a manner similar to but not identical with the method developed by Clary and shown to be accurate for CO2-He. Numerical values are obtained using a pairwise additive interaction potential developed by Clary. Predictions are in good accord with data for various infrared bands and pure rotational Raman spectra. It is found that all pressure broadening and state-to-state cross sections depend on only a few dynamical factors (generalized IOS cross sections) and are therefore closely interrelated. Results are used to assess models developed previously to analyze line shapes in this and similar systems.

Green, Sheldon↗
NASA NTRS1989

Application of a vectorized particle simulation in high-speed near-continuum flow

An efficient particle simulation technique, developed for use on vector architecture based supercomputers for studying hypersonic rarefied gas flows is employed to simulate the complex wake generated by Mach six flow over a 10 deg half-angle wedge for freestream Reynolds numbers of 1780 and 3560. Data obtained are compared against higher Reynolds number experimental results. Simulations utilized as many as 10 to the 5th computational cells and 10 to the 7th simulated particles having power-law interaction potentials. A code performance of 1.8-2.4 microsec of Cray-2 CPU time to process a single particle per timestep is achieved. Diffuse adiabatic and isothermal wedge surface models are used in this investigation. Although the wedge geometry is two-dimensional, the simulation incorporates a width-wise direction, resulting in a three-dimensional computation.

Woronowicz, Michael S.↗
NASA NTRS1989

Study of hypersonic flow past sharp cones

Calculations using the direct simulation Monte Carlo (DSMC) method of Bird for flow past sharp cones in the near continuum to free molecule flow regime are presented and compared with experiment. It is found that results are sensitive to the grid and the interaction potential. Moreover, the time counter method was found to be as accurate as other methods when the solution is grid independent. Finally, the results show that the effects of the wake on the forebody surface properties are minimal.

Taylor, Jeff C.↗
NASA NTRS1989

Comment on linewidths and shifts in the Stokes-Raman Q branch of D2 in He

Collision-induced widths and shifts for Raman Q-branch transitions of D2 in He were calculated from S matrices obtained with converged close coupling scattering calculations on an accurate theoretical interaction potential. Results agree well with experimental values. Discrepancies between experimental line shifts and theoretical values from an earlier study (Blackmore et al., 1988) are traced to a computational error in that work. The effects of vibrational inelasticity and of centrifugal distortion on energy levels and on potential matrix elements, all of which were ignored in the earlier study, are explicitly considered here and found to be small.

Green, Sheldon↗
NASA NTRS1989

Collisional excitation of interstellar molecules - Deuterated water, HDO

Using an accurate theoretical interacting potential and coupled-channel molecular scattering calculations, excitation rates for deuterated water (HDO) in collisions with He atoms were computed. Data are presented for rates among the 34 rotational levels with energy below 400/cm for temperatures between 50 and 500 K. Excitation rate constants were determined using data from fixed energy cross sections averaged over thermal (Boltzmann) distributions of collision energies. Based on the agreement (for H2O) of rates from two different theoretical potentials and on agreement with the limited experimental data, the larger rates for HDO were estimated to be generally accurate to better than 50 percent.

Green, Sheldon↗
NASA NTRS1990

A new computation of the infrared absorption by H2 pairs in the fundamental band at temperatures from 600 to 5000 K

A new computation of the absorption spectrum of H2 pairs in the fundamental band is given for temperatures from 600 to 5000 K. It is based on advanced interaction potentials and recent induced dipole components which were shown to be consistent with the existing laboratory measurements of low-temperature absorption spectra. The absorption is greater by factors of 2-3 than previous estimates and show a different band profile at the higher temperatures.

Borysow, Aleksandra↗
NASA NTRS1990

Theoretical line shapes for rotational spectra of HCl in Ar

An interaction potential for HCl-Ar recently derived from spectra of van der Waals complexes (Hutson,1988) has been used to obtain converged close-coupling scattering S matrices from which pressure broadening (linewidth, line shift, and line coupling) cross sections have been computed within the Fano-Ben-Reuven formalism. Linewidths agree well with experimental data with the exception of the 0-1 line at low temperatures (an error of about 15 percent at 125 K). Line shifts, especially the largest, for the 0-1 line, are also in reasonable accord with experimental data. Line coupling is predicted to be quite small. The coupled-states molecular scattering approximation is found to be accurate except at very low collision energies. The infinite-order sudden approximations, on the other hand, is not reliable for this system. Inelastic scattering out of the spectroscopic levels accounts for only a fraction of the linewidth at thermal energies, especially in the lower rotational levels.

Green, Sheldon↗
NASA NTRS1988

Exploring the living universe: A strategy for space life sciences

The knowledge obtained by space life sciences will play a pivotal role as humankind reaches out to explore the solar system. Information is needed concerning the existence of life beyond the Earth, the potential interactions between planets and living organisms, and the possibilities for humans to inhabit space safely and productively. Programs in the involved disciplines are an integral part of NASA's current and future missions. To realize their objectives, the development and operation of diverse ground and flight facilities and clost coordination with numerous scientific and governmental organizations in the U.S. and abroad are required. The status and goals of the life sciences programs are examined. Ways and means for attaining these goals are suggested.

Source record↗
NASA NTRS1992

Polarizabilities of two-electron positive ions and Rydberg levels of lithium

Second-order sums are computed for the two-electron positive ions Li(+), Be(2+), and B(3+) by representing the intermediate states as discrete pseudostates. The Hamiltonian for the system is given and translated to semi-Jacobi variables for its derivation in reduced Rydberg units. The interaction potential is developed in its multipole form and employed in second-order perturbation theory. The perturbation is always a multipole-potential term, and the initial and intermediate states are constructed from two-particle Hylleraas basis sets. The resulting pseudostates are shown to represent the continuum with good convergence, and the asymptotic-optical-potential method is applied to the two-body quantities to determine the energy levels of three-electron systems in high Rydberg states. The method is shown to give accurate values for the polarizabilities of the two-electron isoelectronic systems.

Bhatia, A. K.↗
NASA NTRS1992

Sandia National Laboratories

Sandia National Laboratories has identified technology transfer to U.S. industry as a laboratory mission which complements our national security mission and as a key component of the Laboratory's future. A number of technology transfer mechanisms - such as CRADA's, licenses, work-for-others, and consortia - are identified and specific examples are given. Sandia's experience with the Specialty Metals Processing Consortium is highlighted with a focus on the elements which have made it successful. A brief discussion of Sandia's potential interactions with NASA under the Space Exploration Initiative was included as an example of laboratory-to-NASA technology transfer. Viewgraphs are provided.

Gilliom, Laura R.↗
NASA NTRS1993

Raman linewidths and rotationally inelastic collision rates in nitrogen

Using the N2-N2 interaction potential of van der Avoird et al. (1986) rotationally inelastic collision cross sections have been computed within the infinite order sudden (IOS) approximation, assuming the molecules are distinguishable. Methods for enforcing detailed balance and correcting for effects of inelasticity, which are ignored in the IOS approximation, are considered, including the energy corrected sudden (ECS) method. Suitably averaged cross sections are compared with experimental Raman Q-branch linewidths for temperatures from 295 to 1500 K and with recently measured room temperature state-to-state rates. Agreement is rather good, especially if ECS corrections are applied.

Green, Sheldon↗