1,289 research outputs found
Molecular processes in a high temperature shock layer
Models of the shock layer encountered by an Aeroassisted Orbital Transfer Vehicle require as input accurate cross sections and rate constants for the atomic and molecular processes that characterize the shock radiation. From the estimated atomic and molecular densities in the shock layer and the expected residence time of 1 m/s, it can be expected that electron-ion collision processes will be important in the shock model. Electron capture by molecular ions followed by dissociation, e.g., O2(+) + e(-) yields 0 + 0, can be expected to be of major importance since these processes are known to have high rates (e.g., 10 to the -7th power cu/cm/sec) at room temperature. However, there have been no experimental measurements of dissociative recombination (DR) at temperatures ( 12000K) that are expected to characterize the shock layer. Indeed, even at room temperature, it is often difficult to perform experiments that determine the dependence of the translational energy and quantum yields of the product atoms on the electronic and vibrational state of the reactant molecular ions. Presented are ab initio quantum chemical studies of DR for molecular ions that are likely to be important in the atmospheric shock layer
Theoretical studies of important processes in planetary and comet atmospheres
The dissociative recombination (DR) of the AB(+) molecular ion with an electron has been shown to be an important component in the detailed interpretation of planetary ionosphere data. A first principles theoretical approach is developed for calculating the DR cross sections and rates for AB(+) molecular ions. The calculations focus on O2(+) and N2(+) DR, and are the first to include the indirect DR mechanism (Ryberg vibrational levels below v = 0 level of ion) for a molecule larger than H2(+). The importance of electron capture width in calculating the cross sections and rates is also examined. Electron capture widths are given for all states of O2 that are of importance to DR (lowest 10 vibrational levels of ion). Knowledge of the details of dissociative recombination will be needed for interpretation of data from future interplanetary and comet atmospheric studies
Dissociative recombination of O2(+), NO(+) and N2(+)
A new L(2) approach for the calculation of the threshold molecular capture width needed for the determination of DR cross sections was developed. The widths are calculated with Fermi's golden rule by substituting Rydberg orbitals for the free electron continuum coulomb orbital. It is shown that the calculated width converges exponentially as the effective principal quantum number of the Rydberg orbital increases. The threshold capture width is then easily obtained. Since atmospheric recombination involves very low energy electrons, the threshold capture widths are essential to the calculation of DR cross sections for the atmospheric species studied here. The approach described makes use of bound state computer codes already in use. A program that collects width matrix elements over CI wavefunctions for the initial and final states is described
The production of O(1D) from dissociative recombination of O2(+)
The results of large scale ab initio calculations of the rates for production of O(1D) by dissociative combination of O2(+) are presented for electron temperatures in the range 100 to 3000 K. A 1-delta-u state is the dominant dissociative route from v = 0 and a 3-sigma-u(-) state is the most important route from v = 1 and v = 2. The calculated total rate for O(1D) production from v = 0 is 2.21(+0.21,-0.24) x 10(-7) x (T sub e/300) exp -.46 near room temperature. The v = 1 and v = 2 rates are about 17% and 47% smaller respectively, than the v = 0 rate at 300 K
Theoretical studies of important processes in planetary and comet atmospheres
Dissociative recombination (DR) reactions in planetary and comet atmospheres are discussed. A computer program was developed which determines DR cross sections and rates using potential curves and electronic capture widths. It uses Multi-Channel Quantum Defect Theory (MQDT) to include excited Rydberg resonance levels in the DR cross section and rate calculations. Each vibrational level of a molecular ion is the limit for an infinite series of Rydberg states. Above each ion vibrational level are Rydberg vibrational levels having higher ion levels as their series limit. These Rydberg vibrational levels are resonances, i.e., neutral states which are imbedded in the electron-molecular ion continuum. The process in which the Rydberg level causes an abrupt perturbation in the cross section for DR (because of interference between capture into the Rydberg level and capture into the repulsive dissociative state) is referred to as indirect recombination. The process in which the Rydberg levels are excluded and recombination goes from the entrance channel to the repulsive state is called direct recombination. The full DR process, i.e., both direct and indirect recombination, is the process of importance for planetary atmospheres. These ideas are illustrated with the new results for DR from excited ion vibrational levels of O2(+) into the dissociative state which leads to O(1S) + O(1D)
Theoretical studies of important processes in planetary and comet atmospheres. Renewel request
Current efforts have focused on the dissociative recombination (DR) of O2(+), a process of great importance in planetary atmospheres. This process is difficult to study experimentally because of the need to determine the dependence of the product electronic states and kinetic energies upon the vibrational distribution of the ion and electron temperature. The knowledge of these characteristics of DR is needed to accurately model planetary ionospheres. Using a theoretical quantum chemical approach, the generation of O(1S) from DR was studied in detail
Computational paradigm for dynamic logic-gates in neuronal activity
In 1943 McCulloch and Pitts suggested that the brain is composed of reliable
logic-gates similar to the logic at the core of today's computers. This
framework had a limited impact on neuroscience, since neurons exhibit far
richer dynamics. Here we propose a new experimentally corroborated paradigm in
which the truth tables of the brain's logic-gates are time dependent, i.e.
dynamic logicgates (DLGs). The truth tables of the DLGs depend on the history
of their activity and the stimulation frequencies of their input neurons. Our
experimental results are based on a procedure where conditioned stimulations
were enforced on circuits of neurons embedded within a large-scale network of
cortical cells in-vitro. We demonstrate that the underlying biological
mechanism is the unavoidable increase of neuronal response latencies to ongoing
stimulations, which imposes a nonuniform gradual stretching of network delays.
The limited experimental results are confirmed and extended by simulations and
theoretical arguments based on identical neurons with a fixed increase of the
neuronal response latency per evoked spike. We anticipate our results to lead
to better understanding of the suitability of this computational paradigm to
account for the brain's functionalities and will require the development of new
systematic mathematical methods beyond the methods developed for traditional
Boolean algebra.Comment: 32 pages, 14 figures, 1 tabl
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