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Diatomic polar molecule rotational excitation by atomic impact to obtain transition cross section angular distribution and energy dependence
The first astronomical detections of several ammonia inversion transitions involving nonmetastable levels with energies as high as 1090 K above the ground state are reported. The (J, K) = (9, 6) inversion transition shows maser-like emission in the directions of W51, NGC 7538, W49, and DR 21(OH). The NH3 (6, 3) line exhibits similar characteristics in W51 but is seen in absorption in NGC 7538. These are the first definite detections of ammonia masers in space. The intensities and narrow line widths (0.5-1.5 km/s) for the emission features are in contrast to the previously detected broad, weak, nonmetastable lines attributed to thermal emission in these sources. Temporal variability appears to be evident in the (9, 6) emission in W49 over a 4 month period. The highly excited (J, K) = (9, 6) and (6, 3) ammonia lines are found in regions containig compact H II regions and strongly infrared sources with associated H2O and OH masers; i.e., in regions of active star formation.
We present calculations of the interband impact ionization rate calculated using a wave vector dependent (k-dependent) semiclassical formulation of the transition rate. The transition rate is determined using Fermi's golden rule from a two-body screened Coulomb interaction assuming energy and momentum conservation. The transition rate is calculated for the first two conduction bands of silicon by numerically integrating over the full Brillouin zone. The overlap integrals in the expression for the transition rate are determined numerically using a 15 band k-p calculation. It is found that the transition rate depends strongly on the initiating electron wave vector (k vector) and that the transition rate is greatest for electrons originating within the second conduction band than the first conduction band. An ensemble Monte Carlo simulation, which includes the numerically determined ionization transition rate as well as the full details of the first two conduction bands, is used to calculate the total impact ionization rate in bulk silicon. Good agreement with the experimentally determined electron ionization rate data is obtained.
One common objective of molecular simulations in chemistry and biology is to calculate the free energy difference between different states of the system of interest. Examples of problems that have such an objective are calculations of receptor-ligand or protein-drug interactions, associations of molecules in response to hydrophobic, and electrostatic interactions or partition of molecules between immiscible liquids. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), 'native' state. Perhaps the best example of such a problem is folding of proteins or short RNA molecules. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to 'quasi non-ergodicity', whereby a part of phase space is inaccessible on timescales of the simulation. A host of strategies has been developed to improve efficiency of sampling the phase space. For example, some Monte Carlo techniques involve large steps which move the system between low-energy regions in phase space without the need for sampling the configurations corresponding to energy barriers (J-walking). Most strategies, however, rely on modifying probabilities of sampling low and high-energy regions in phase space such that transitions between states of interest are encouraged. Perhaps the simplest implementation of this strategy is to increase the temperature of the system. This approach was successfully used to identify denaturation pathways in several proteins, but it is clearly not applicable to protein folding. It is also not a successful method for determining free energy differences. Finally, the approach is likely to fail for systems with co-existing phases, such as water-membrane systems, because it may lead to spontaneous mixing. A similar difficulty may be encountered in any method relying on global modifications of phase space.
A compressible time dependent solution of the Navier-Stokes equations including a transition turbulence model is obtained for the isolated airfoil flow field problem. The equations are solved by a consistently split linearized block implicit scheme. A nonorthogonal body-fitted coordinate system is used which has maximum resolution near the airfoil surface and in the region of the airfoil leading edge. The transition turbulence model is based upon the turbulence kinetic energy equation and predicts regions of laminar, transitional, and turbulent flow. Mean flow field and turbulence field results are presented for an NACA 0012 airfoil at zero and nonzero incidence angles of Reynolds number up to one million and low subsonic Mach numbers.
A compressible time-dependent solution of the Navier-Stokes equations including a transition-turbulence model is obtained for the isolated airfoil flow field problem. The equations are solved by a consistently split linearized block implicit scheme due to Briley and McDonald. A nonorthogonal body fitted coordinate system is used which has maximum resolution near the airfoil surface and in the region of the airfoil leading edge. The transition-turbulence model is based upon the turbulence kinetic energy equation and predicts regions of laminar, transitional and turbulent flow. Mean flow field and turbulence field results are presented for an NACA 0012 airfoil at zero and nonzero incidence angles at Reynolds number up to one million and low subsonic Mach numbers.
Direct electron pain production via virtual photons by moving charged particles is a unique electro-magnetic process having a substantial dependence on energy. Most electro-magnetic processes, including transition radiation, cease to be sensitive to the incident energy above 10 TeV/AMU. Thus, it is expected, that upon establishment of cross section and detection efficiency of this process, it may provide a new energy measuring technique above 10 TeV/AMU. Three accelerator exposures of emulsion chambers designed for measurements of direct electron-pains were performed. The objectives of the investigation were to provide the fundamental cross-section data in emulsion stacks to find the best-fit theoretical model, and to provide a calibration of measurements of direct electron-pairs in emulsion chamber configurations. This paper reports the design of the emulsion chambers, accelerator experiments, microscope measurements, and related considerations for future improvements of the measurements, and for possible applications to high energy cosmic ray experiments. Also discussed are the results from scanning 56m of emulsion tracks at 1200x magnification so that scanning efficiency is optimized. Measurements of the delta-ray range spectrum were also performed for much shorter track lengths, but with sufficiently large statistics in the number of measured delta-rays.
Vibrational energy transfer in high energy collisions of diatomic nitrogen, evaluating transition probabilities for forced harmonic oscillator
Diatomic molecules inelastic collision cross sections for specific rotational transitions, discussing S matrix energy requirements for statistical analysis
The K emission spectrum of oxygen and fluorine from a number of simple oxides and fluorides is divided into three to six sub-peaks. The spectra of many of these oxides and fluorides resemble one another owing to their basically ionic bonding. Certain sub-peaks, however, are ascribed to cross-over transitions and partially covalent energy levels. The different fluorine spectrum of Teflon is due to the hybrid nature of its covalent bonds.
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.
Coronal holes are extensive regions of extremely low density in the solar corona within 60 deg of latitude from the equator. We have superposed maps of the calculated current-free (potential) coronal magnetic field with maps of the coronal electron density for the period of November 1966, and find that coronal holes are generally characterized by weak and diverging magnetic field lines. The chromosphere underlying the holes is extremely quiet, being free of weak plages and filaments. The existence of coronal holes clearly has important implications for the energy balance in the transition region and the solar wind.
The existence of 'holes' in the corona is reported characterized by abnormally low densities and temperatures. It was found that such coronal holes appear to be the source of high-velocity, enhanced-density streams in the solar wind as observed at the earth's orbit. It was further noted that coronal holes appear to be associated with regions of diverging magnetic fields in the corona. Models were developed to accomplish the objective for the principal energy flows in the transition region and corona.
The results of experimental measurements of the coherent anti-Stokes Raman spectra of water vapor in flames are reported. A pulsed, frequency-doubled neodymium laser was used to supply the pump beam and to pump a dye laser to provide a broadband Stokes beam at 6600 A. Spectra were obtained in the postflame region of a premixed methane-air flame in the Raman frequency shift region of the symmetric stretch mode (3651.7 kaysers) at an approximate temperature of 1675 K. A theoretical calculation of the coherent anti-Stokes Raman spectrum of water vapor at this temperature was made, taking into account only isotropic Q-branch transitions, and using the energy level data of Floud et al. (1976). The theoretical prediction is shown essentially to reproduce all qualitative features of the experimental spectrum, and to exhibit a strong temperature dependence.
A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.
Measurements of recurrent enhancements of interplanetary nucleon flux in the MeV energy range are presented and interpreted. The features recur at the solar rotation period in association with stream-stream plasma interaction regions corotating with the sun. At distances from the sun less than 1 AU, the maximum intensities of the hydrogen and helium components increase with increasing distance between 300%/AU and 600%/AU. A model is proposed which predicts the acceleration of nuclei from keV plasma energies to MeV energies by means of transit time damping of magnetosonic waves as solar wind plasma flows from the sun. Numerical solutions of the transport equation are derived to demonstrate that the model does not reproduce radial variations of hydrogen and helium fluxes, and estimates are made of the radial diffusive mean free path. Finally, the observations are found to be consistent with nucleon acceleration at the CIR shocks beyond 1 AU with subsequent diffusion toward the sun.
The borderline case between no charging and large (kV) negative potentials for eclipse charging events on geosynchronous satellites is investigated, and the dependence of this transition on a threshold energy in the ambient plasma is examined. Data from the Applied Technology Satellite 6 and P78-2 (SCATHA) show that plasma sheet fluxes must extend above 10 keV for these satellites to charge in eclipse. The threshold effect is a result of the shape of the normal secondary yield curve, in particular the high energy crossover, where the secondary yield drops below 1. It is found that a large portion of the ambient electron flux must exceed this energy for a negative current to exist.
An interface photodischarge study of p-type GaAs metal-oxide-semiconductor (MOS) structures revealed the presence of deep interface states and shallow donors and acceptors which were previously observed in n-type GaAs MOS through sub-band-gap photoionization transitions. For higher photon energies, internal photoemission was observed, i.e., injection of electrons to the conduction band of the oxide from either the metal (Au) or from the GaAs valence band; the threshold energies were found to be 3.25 and 3.7 + or - 0.1 eV, respectively. The measured photoemission current exhibited a thermal activation energy of about 0.06 eV, which is consistent with a hopping mechanism of electron transport in the oxide.