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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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29 records · Page 2

The application of time-dependent wavepacket methods to reactive scattering

Several methods for performing numerically exact reactive scattering calculations using time-dependent wavepackets are reviewed. The basic idea is to take the multiarrangement reactive problem and reformulate it as one or more inelastic ones. In the simplest method, total reaction probabilities are extracted by calculating the flux of the wavepacket as it leaves the interaction region in the direction of the reactive arrangement. To make this practical, complex potentials that absorb the wavepacket before it reaches the numerical grid boundary are used. Methods that generate observables ranging from total, energy-averaged reaction probabilities up to energy- and state-resolved S-matrix elements are used. Techniques for efficiently performing the necessary inelastic wavepacket propagation are also reviewed.

Neuhauser, Daniel↗

Nonelastic nuclear reactions and accompanying gamma radiation

Several aspects of nonelastic nuclear reactions which proceed through the formation of a compound nucleus are dealt with. The full statistical model and the partial statistical model are described and computer programs based on these models are presented along with operating instructions and input and output for sample problems. A theoretical development of the expression for the reaction cross section for the hybrid case which involves a combination of the continuum aspects of the full statistical model with the discrete level aspects of the partial statistical model is presented. Cross sections for level excitation and gamma production by neutron inelastic scattering from the nuclei Al-27, Fe-56, Si-28, and Pb-208 are calculated and compared with avaliable experimental data.

Snow, R.↗

Time dependent three-dimensional body frame quantal wave packet treatment of the H + H2 exchange reaction on the Liu-Siegbahn-Truhlar-Horowitz (LSTH) surface

The first successful application of the three-dimensional quantum body frame wave packet approach to reactive scattering is reported for the H + H2 exchange reaction on the LSTH potential surface. The method used is based on a procedure for calculating total reaction probabilities from wave packets. It is found that converged, vibrationally resolved reactive probabilities can be calculated with a grid that is not much larger than required for the pure inelastic calculation. Tabular results are presented for several energies.

Neuhauser, Daniel↗

Forward production of protons in relativistic 12C-nucleus collisions

The production of protons in heavy ion collisions through the knockout mechanism (abrasion) is described using the Glauber model. The multiple knockouts from the projectile, including the inelastic collision series with the target, are considered using a closure approximation in treating energy conservation. Calculations for reactions of 12C projectiles with several targets at energies of 1 and 2A GeV arc compared to experiments. For large secondary proton momentum a strong dependence on the target mass is found and attributed to multiple scattering of the projectile knockouts.

NASA Discipline Radiation Health↗

Semiclassical study of reactive scattering in a laser field - F + H2 + barred-h times omega times /1.06 microns/ system

Semiclassical calculations of collinear F+H2(nu = 0) reactive and inelastic scattering in an Nd-glass laser field of various intensities are described. The decoupling approximation developed for the Miller-George theory is used for nonadiabatic transitions between the electronic-field surfaces, and special attention is paid to the choice of a proper coordinate system for applying the decoupling approximation. An increase in the total reaction probability and population ratio of the nu = 3 over nu = 2 vibrational state of HF occurs suddenly as the field intensity increases beyond 10 TW/sq cm. It is found that in a laser field the H2 molecule can be vibrationally excited while the F atom is electronically excited.

Yuan, J.-M.↗

Inelastic scattering of 61 MeV protons by pb-207

Differential cross sections for the excitation of the first four neutron-hole states and the doublet at 2.61 MeV by 61.2 MeV protons were measured. The data are analyzed in terms of both a purely collective model description and a microscopic model supplemented by macroscopic core polarization. A realistic two-body interaction is used and knock-on amplitudes are included. Core polarization is found to be important but represents a relatively smaller contribution than in most nuclei previously studied. A parallel analysis of similar data at lower proton bombarding energies reveals a surprisingly strong energy dependence of the reaction mechanisms.

Owais, M.↗

Study of Atmospheric Nitric Oxide

We investigated the contribution of energetic nitrogen atoms to the production of nitric oxide in the thermosphere and their influence on the infrared emission spectrum. The nitric oxide molecules are important contributors to the cooling of the atmosphere. We first pointed out that in determining the energy distribution of the nitrogen atoms, it is important to take into account the thermal motion of the atmospheric gases. It had been ignored in all earlier studies. The source spectra are broadened considerably by the center of mass motion of the reactants. We worked out the consequences for the production of nitric oxide at night, using as sources of energetic N atoms, NO(+) + e yield N + O, N(D-2) + O yield N + O. The high energy tail is enhanced by orders of magnitude. We had earlier suggested (Sharma et al. 1993) that the reaction of energetic nitrogen atoms with O2 was responsible for the rotationally enhanced NO identified in the infrared spectrum. Our calculations provided quantitative confirmation of the suggestion. We proceeded to explore the validity of another approximation used in earlier analyses, the hard sphere approximation for the energy loss in elastic collisions. We carried out precise quantum mechanical calculations of the elastic 2 differential scattering of nitrogen atoms in collisions with oxygen atoms and showed that although the hard sphere approximation was nowhere of high precision, reasonable results could be obtained with an effective cross section of 6 x 10(exp 15)sq cm. We also initiated a program to include inelastic energy loss processes in the determination of the energy distribution function. We began a calculation of the rotation and vibrational excitation cross sections of molecular nitrogen and nitrogen atoms and developed a method for including inelastic energy loss as a function of scattering angle in the Boltzmann equation. A procedure for obtaining the solution of the Boltzman equation was worked out.

Dalgarno, A.↗

Scattering of 42 MeV alpha particles from copper-65

Beams of 42-MeV alpha particles were elastically and inelastically scattered from Cu-65 in an attempt to excite states which may be described in terms of an excited core model. Angular distributions were measured for 17 excited states. Seven of the excited states had angular distributions similar to a core quadrupole excitation and eight of the excited states had angular distributions similar to a core octupole excitation. The excited state at 2.858 MeV had an angular distribution which suggests that it may have results from the particle coupling to a two-phonon core state. An extended particle-core coupling calculation was performed and the predicted energy levels and reduced transition probabilities compared to the experimental data. The low lying levels are described quite well and the wavefunctions of these states explain the large spectroscopic factors measured in stripping reactions. For Cu-65 the coupling of the particle to the core is no larger weak as in the simpler model, and configuration mixing results.

Stewart, W. M.↗

MCNP Simulations of Measurement of Insulation Compaction in the Cryogenic Rocket Fuel Tanks at Kennedy Space Center by Fast/Thermal Neutron Techniques

MCNP simulations have been run to evaluate the feasibility of using a combination of fast and thermal neutrons as a nondestructive method to measure of the compaction of the perlite insulation in the liquid hydrogen and oxygen cryogenic storage tanks at John F. Kennedy Space Center (KSC). Perlite is a feldspathic volcanic rock made up of the major elements Si, AI, Na, K and 0 along with some water. When heated it expands from four to twenty times its original volume which makes it very useful for thermal insulation. The cryogenic tanks at Kennedy Space Center are spherical with outer diameters of 69-70 feet and lined with a layer of expanded perlite with thicknesses on the order of 120 cm. There is evidence that some of the perlite has compacted over time since the tanks were built 1965, affecting the thermal properties and possibly also the structural integrity of the tanks. With commercially available portable neutron generators it is possible to produce simultaneously fluxes of neutrons in two energy ranges: fast (14 Me V) and thermal (25 me V). The two energy ranges produce complementary information. Fast neutrons produce gamma rays by inelastic scattering, which is sensitive to Fe and O. Thermal neutrons produce gamma rays by prompt gamma neutron activation (PGNA) and this is sensitive to Si, Al, Na, K and H. The compaction of the perlite can be measured by the change in gamma ray signal strength which is proportional to the atomic number densities of the constituent elements. The MCNP simulations were made to determine the magnitude of this change. The tank wall was approximated by a I-dimensional slab geometry with an 11/16" outer carbon steel wall, an inner stainless wall and 120 cm thick perlite zone. Runs were made for cases with expanded perlite, compacted perlite or with various void fractions. Runs were also made to simulate the effect of adding a moderator. Tallies were made for decay-time analysis from t=0 to 10 ms; total detected gamma-rays; detected gamma-rays from thermal neutron reactions d. detected gamma-rays from non-thermal neutron reactions and total detected gamma-rays as a function of depth into the annulus volume. These indicated a number of possible independent metrics of perlite compaction. For example the count rate for perlite elements increased from 3600 to 8500 cps for an increase in perlite density from 6 lbs/lcf to 16.5 lbs/cf. Thus the MCNP simulations have confirmed the feasibility of using neutron methods to map the compaction of perlite in the walls of the cryogenic tanks.

Livingston, R. A.↗

Fractionation of Iron and Titanium Isotopes By Ilmenite and the Isotopic Compositions of Lunar Magma Ocean Cumulates

Basaltic volcanism on the Moon produced low- and high-Ti mare basalt suites that are also distinct with respect to their iron, titanium, and magnesium iso- topic compositions. Here, the equilibrium fractionation of Fe and Ti isotopes between ilmenite and melt was experimentally investigated in order to evaluate the role of ilmenite in generating the isotopic compositional variability among the lunar mare basalts. Ilmenite crystallization experiments were conducted using two bulk compositions: an ilmenite-saturated basaltic andesite and an ilmenite-saturated Apollo 14 black glass, and the Fe and Ti isotopic compo- sitions of the experimental ilmenites and glass (quenched melt) were analyzed using solution MC-ICPMS after hand-picking. Additionally, Nuclear Resonant Inelastic X-ray Scattering (NRIXS) measurements on synthetic ilmenite were conducted and compared to previous NRIXS measurements on synthetic lunar glasses in order to derive temperature-dependent equilibrium ilmenite-melt Fe isotopic fractionations. Experimentally determined ilmenite-melt fractionations were then incorporated into a lunar magma ocean crystallization model that tracks the major element and isotopic compositional evolution of lunar magma ocean cumulates and residual liquid. There is good agreement between the Fe equilibrium isotopic fractionation measured by NRIXS and the laboratory equili- bration experiments, and we find that the isotopic fractionation is sensitive to il- menite compositional differences (0 vs. 10% Fe3+). Further, the light Ti isotopic composition of ilmenite relative to the melt (∆49Ti ilmenite-melt = −0.09 ± 0.03h at 1100°C) is consistent with the higher coordination of Ti in ilmenite relative to melts and results of previous studies. The modeled Ti isotopic compositions for lunar magma ocean cumulates display Ti isotopic variability sufficient to explain the low- and high-Ti mare basalt sources. However, the difference in Fe isotopic composition between the low- and high-Ti mare basalts cannot be attributed solely to ilmenite fractionation. Instead, Fe isotopic fractionation by additional products of lunar magma ocean crystallization, such as clinopy- roxene, is required to generate the inferred Fe and Mg isotopic variability in the lunar mantle. Alternatively, the Fe and Mg isotopic compositions of the lunar mare basalts may indicate Fe-Mg interdiffusion has occurred in the Ti- rich component of the mare basalt source regions via reaction between ilmenite cumulates and the olivine- and pyroxene-rich lunar mantle.

Kelsey Prissel↗