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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Molecular cluster theory for chemisorption of first row atoms on nickel /100/ surfaces

Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of first-row atoms on Ni(100) surfaces are presented. Energy levels and ground-state charge distributions are given for XNi5 clusters with the adatom X = H, C, N, O located in C4V symmetry at a fixed height of 2.0 au above the surface. The variation of properties with height was studied in detail for the case of oxygen. Theoretical results compare rather well with experimental photoelectron and energy-loss data. Local-densities-of-states diagrams are used to clarify the interaction between adsorbate levels and metal conduction bands.

Ellis, D. E.↗
NASA NTRS1974

Semiclassical S-matrix theory of vibrationally inelastic collisions between two diatomic molecules

We derive a semiclassical S matrix for vibrationally inelastic collisions between two diatomic molecules, assuming a collinear geometry. Our theory incorporates a quantum mechanical superposition principle with classical dynamics and, as such, is an extension of the atom-diatomic molecule theory of Miller. The several approximations to the S matrix differ in the complexity with which the interference between various classical trajectories is treated. We report numerical calculations for H2-D2 and D2-D2 collisions based on two different interaction potentials. The cruder approximations yield transition probabilities which agree with exact quantum mechanical results to within a factor of 2. More sophisticated approximations to the S matrix yield excellent quantitative agreement with the quantum calculations.

Cohen, S. C.↗
NASA NTRS1974

Laser selective excitation of a three-level atom - Barium

Development of a theory describing the selective excitation of a three-level atom with a tunable laser. The effects of number density, line widths, and laser parameters on the final populations of the levels are discussed. An experiment is described in which a tunable dye laser is used to pump large numbers of barium atoms into a definite excited state.

Carlsten, J. L.↗
NASA NTRS1987

Comments on the interaction of materials with atomic oxygen

An explanation of the relative resistance of various materials to attack by atomic oxygen is presented. Data from both ground based and on-orbit experiments is interpreted. The results indicate the importance of bond strengths, size and structure of pendant groups, and fluorination to the resistance of certain polymers to atomic oxygen. A theory which provides a partial explanation of the degradation of materials in low Earth orbit due to surface recombination of oxygen atoms is also included. Finally, a section commenting on mechanisms of material degradation is provided.

Torre, Larry P.↗
NASA NTRS1997

Colloidal Disorder-Order Transition Experiment Probes Particle Interactions in Microgravity

Everything in the universe is made up of the same basic building blocks - atoms. All physical properties of matter such as weight, hardness, and color are determined by the kind of atoms present and the way they interact with each other. The Colloidal Disorder-Order Transition (CDOT) shuttle flight experiment tested fundamental theories that model atomic interactions. The experiment was part of the Second United States Microgravity Laboratory (USML-2) aboard the Space Shuttle Columbia, which flew from October 20 to November 5, 1995.

Source record↗
NASA NTRS2000

Smallest Nanoelectronic with Atomic Devices with Precise Structures

Since its invention in 1948, the transistor has revolutionized our everyday life - transistor radios and TV's appeared in the early 1960s, personal computers came into widespread use in the mid-1980s, and cellular phones, laptops, and palm-sized organizers dominated the 1990s. The electronics revolution is based upon transistor miniaturization; smaller transistors are faster, and denser circuitry has more functionality. Transistors in current generation chips are 0.25 micron or 250 nanometers in size, and the electronics industry has completed development of 0.18 micron transistors which will enter production within the next few years. Industry researchers are now working to reduce transistor size down to 0.13 micron - a thousandth of the width of a human hair. However, studies indicate that the miniaturization of silicon transistors will soon reach its limit. For further progress in microelectronics, scientists have turned to nanotechnology to advance the science. Rather than continuing to miniaturize transistors to a point where they become unreliable, nanotechnology offers the new approach of building devices on the atomic scale [see sidebar]. One vision for the next generation of miniature electronics is atomic chain electronics, where devices are composed of atoms aligned on top of a substrate surface in a regular pattern. The Atomic Chain Electronics Project (ACEP) - part of the Semiconductor Device Modeling and Nanotechnology group, Integrated Product Team at the NAS Facility has been developing the theory of understanding atomic chain devices, and the author's patent for atomic chain electronics is now pending.

Yamada, Toshishige↗
NASA NTRS1995

Second International Workshop on Harmonic Oscillators

The Second International Workshop on Harmonic Oscillators was held at the Hotel Hacienda Cocoyoc from March 23 to 25, 1994. The Workshop gathered 67 participants; there were 10 invited lecturers, 30 plenary oral presentations, 15 posters, and plenty of discussion divided into the five sessions of this volume. The Organizing Committee was asked by the chairman of several Mexican funding agencies what exactly was meant by harmonic oscillators, and for what purpose the new research could be useful. Harmonic oscillators - as we explained - is a code name for a family of mathematical models based on the theory of Lie algebras and groups, with applications in a growing range of physical theories and technologies: molecular, atomic, nuclear and particle physics; quantum optics and communication theory.

Han, Daesoo↗
NASA NTRS1978

Quantum-mechanical theory including angular momenta analysis of atom-atom collisions in a laser field

The problem of two atoms colliding in the presence of an intense radiation field, such as that of a laser, is investigated. The radiation field, which couples states of different electronic symmetry, is described by the number state representation while the electronic degrees of freedom (plus spin-orbit interaction) are discussed in terms of a diabatic representation. The total angular momentum of the field-free system and the angular momentum transferred by absorption (or emission) of a photon are explicitly considered in the derivation of the coupled scattering equations. A model calculation is discussed for the Xe + F collision system.

Devries, P. L.↗
NASA NTRS1980

Collisions between hydrogen atoms and helium ions

By the use of a new theory developed for collisions between atomic hydrogen and arbitrary ions or atoms, the cross section for the direct excitation process He(+)(1s) + H(1s) yields He(+)(2s) + H(Sigma) in which the H atom is left in any discrete or continuum final state is calculated. The results are compared with other theories and with recent measurements for He-3(+) energies between 22 and 346 keV. The theory predicts a maximum near 84 keV, in excellent agreement with the data. Above 200 keV all theories yield cross sections which do not decrease rapidly enough with increasing energy when compared with the data.

Franco, V.↗
NASA NTRS1976

Computer simulation of screw dislocation in aluminum

The atomic structure in a 110 screw dislocation core for aluminum is obtained by computer simulation. The lattice statics technique is employed since it entails no artificially imposed elastic boundary around the defect. The interatomic potential has no adjustable parameters and was derived from pseudopotential theory. The resulting atomic displacements were allowed to relax in all three dimensions.

Esterling, D. M.↗
NASA NTRS1967

The nature of intermolecular forces.

Intermolecular forces theory, considering hydrogen atom interaction through Born- Oppenheimer approximation and variational calculations

ATOMIC COLLISION↗