Semiempirical energy surface for H sub 3
Semiempirical potential energy surface generation for triatomic hydrogen from London equation by evaluating Coulomb and exchange integrals taking into account effective orbital overlap
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Semiempirical potential energy surface generation for triatomic hydrogen from London equation by evaluating Coulomb and exchange integrals taking into account effective orbital overlap
The relationship between auroral electron energy flux and the inferred accelerating potential drop for accelerated Maxwellian distributions is investigated on the basis of Atmospheric Explorer D spectral measurements. An analytical approximation for the total downward energy flux carried by an isotropic Maxwellian electron population accelerated by a field-aligned electrostatic potential drop is derived which is valid for values of the electron energy/characteristic accelerated Maxwellian distribution energy which are less than the difference between the ratio of the magnetic field strengths at the altitude of observation and the altitude of potential drop, and unity. Data from the Low Energy Electron Experiment on board AE D obtained on both the dayside and the nightside during periods of significant inverted-V type electron precipitation shows that the 455 energy spectra considered, 160 of them, obtained between 60 and 85 deg invariant latitude, could be fit to accelerated Maxwellian distributions. The 160 Maxwellian spectra are then shown to be in agreement with the predictions of the accelerated Maxwellian model. Finally, analysis of individual spectra suggests that the altitude of the inferred potential drop is at a maximum near the center of the inverted-V structures.
A new guidance strategy for use during the TAEM (terminal area energy management) phase of the Shuttle reentry flight has been developed. This guidance system steers the vehicle from initial conditions at about 70,000 ft altitude and Mach 1.5 to the beginning of the final landing maneuver. Explicit control of the vehicle's total energy (potential plus kinetic) via the energy dissipation rate allows this system to effectively control the vehicle's energy in the presence of a head or tail wind without a-priori knowledge of the wind. Furthermore, this is accomplished while maintaining a wings-level attitude during most of the flight.
A primitive equation linear model is shown to be capable of quantitatively predicting the neutral curve for a baroclinic annulus. Flows unstable to small nonaxisymmetric perturbations are assumed to lie on the nonaxisymmetric side of a transition curve, while the stable flows are on the axisymmetric side. The stability in the presence of perturbations is tested with linearized hydrostatic primitive equations. Attention is given to the fastest growing eigenmodes, demonstrating that the linear and nonlinear wave have similar structures at a particular point in the nonaxisymmetric regime. All the waves are similar to the Eddy wave except at the extreme to the transition curve, where the waves maintain little structure with height. The eddy kinetic energy is baroclinic with a potential energy suppresed by the large static stability of the basic state. Eddy dissipation is noted to be significant near all boundaries.
Future space missions were hypothesized and analyzed and the energy source for their accomplishment investigated. The mission included manned Mars, scientific outposts to and robotic sample return missions from the outer planets and asteroids, as well as fly-by and rendezvous mission with the Oort Cloud and the nearest star, Alpha Centauri. Space system parametric requirements and operational features were established. The energy means for accomplishing the High Energy Space Mission were investigated. Potential energy options which could provide the propulsion and electric power system and operational requirements were reviewed and evaluated. Fusion energy was considered to be the preferred option and was analyzed in depth. Candidate fusion fuels were evaluated based upon the energy output and neutron flux. Reactors exhibiting a highly efficient use of magnetic fields for space use while at the same time offering efficient coupling to an exhaust propellant or to a direct energy convertor for efficient electrical production were examined. Near term approaches were identified.
The analysis of gait initiation (the transient state between standing and walking) is an important diagnostic tool to study pathologic gait and to evaluate prosthetic devices. While past studies have quantified mechanical energy of the body during steady-state gait, to date no one has computed the mechanical energy of the body during gait initiation. In this study, gait initiation in seven normal male subjects was studied using a mechanical energy analysis to compute total body energy. The data showed three separate states: quiet standing, gait initiation, and steady-state gait. During gait initiation, the trends in the energy data for the individual segments were similar to those seen during steady-state gait (and in Winter DA, Quanbury AO, Reimer GD. Analysis of instantaneous energy of normal gait. J Biochem 1976;9:253-257), but diminished in amplitude. However, these amplitudes increased to those seen in steady-state during the gait initiation event (GIE), with the greatest increase occurring in the second step due to the push-off of the foundation leg. The baseline level of mechanical energy was due to the potential energy of the individual segments, while the cyclic nature of the data was indicative of the kinetic energy of the particular leg in swing phase during that step. The data presented showed differences in energy trends during gait initiation from those of steady state, thereby demonstrating the importance of this event in the study of locomotion.
Geometrical structures and energetic properties for four different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest single excited state potential energy surface are studied. The energetic order of the tautomers on the ground state potential surface is 9H less than 7H less than 3H less than 1H, while on the excited state surface this order is found to be different: 3H less than 1H less than 9H less than 7H. Minimum energy reaction paths are obtained for hydrogen atom transfer (9 yields 3 tautomerization) reactions in the ground and the lowest excited electronic state. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic state, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. The barrier for this reaction in the excited state may become very low in the presence of water or other polar solvent molecules, and therefore such tautomerization reaction may play an important role in the solution phase photochemistry of adenine.
By means of spectrum analysis of select components of the tropospheric and lower stratospheric energy cycle in the Northern Hemisphere (20 N to the pole), we are able to demonstrate the existence of a 14-16 day cycle in the atmosphere. The principal energy transfer of this cycle is the conversion from zonal available to eddy available potential energy in the troposphere. This is accompanied by an energy exchange from eddy available potential to eddy kinetic energy and thence by means of the pressure-work effect at the stratospheric boundary to the eddy kinetic energy in the stratosphere. The possible physical forcing functions of this cycle are discussed.
The principles involved in thermal energy storage by sensible heat, chemical potential energy, and latent heat of fusion are examined for the purpose of evolving selection criteria for material candidates in the low ( 0 C) and high ( 100 C) temperature ranges. The examination identifies some unresolved theoretical considerations and permits a preliminary formulation of an energy storage theory. A number of candidates in the low and high temperature ranges are presented along with a rating of candidates or potential candidates. A few interesting candidates in the 0 to 100 C region are also included. It is concluded that storage by means of reactions whose reversibility can be controlled either by product removal or by catalytic means appear to offer appreciable advantages over storage with reactions whose reversability cannot be controlled. Among such advantages are listed higher heat storage capacities and more favorable options regarding temperatures of collection, storage, and delivery. Among the disadvantages are lower storage efficiencies.
Because predicted relationship (epsilon directly varies with V squared) between auroral electron energy flux (epsilon) and the inferred acceleration potential drop (V) for accelerated Maxwellian distributions was favorably tested by other using sounding rocket data for the limiting case of eVE 1 (where Ec is the characteristic energy of the accelerated Maxwellian distribution) and for a single inverted-V observed by the Injun 5 satellite, data from Atmosphere D were used to extend these studies over the range .2 eV/Ec 5 and for a wide range of latitudes and local times on both the nightside and the dayside. Results show good agreement with the full accelerated Maxwellian model. An analytical approximation to the electron energy flux was derived which better describes the data over the range .2 eV/Ec approximated 3. Analyses of individual energy spectra at small and large pitch angles through well-defined inverted-V structures suggest that the altitude of the inferred potential drop maximizes near the center of the inverted-V's.
Three turning points in effective potential-energy curve and effect on semiclassical scattering
E layer kinetic energy viscous dissipation and transfer to potential energy by turbulence and irregular winds shear
The ablation of carbon-phenolic heat shields upon entry into the atmosphere of one of the outer planets leads to the injection of large amounts of C, C2, and C3 into the shock layer. These species must be included in the calculation of transport properties in the shock layer. The kinetic theory of gases has been used to obtain accurate results for the transport properties of monatomic carbon. The Hulburt-Hirschelder potential, the most accurate general purpose atom-atom potential for states with an attractive minimum, was used to represent such states and repulsive states were represented by fitting quantum mechanical potential energy curves with the exponential repulsive potential. These results were orientation averaged according to the peripheral force model to obtain transport collision integrals for the C-C2 and C2-C2 interaction. Results for C3 were obtained by ignoring the presence of the central carbon atom. The thermal conductivity, viscosity, and diffusion coefficients for pure C, C2, and C3, and for mixtures of these gases, were then calculated from 1000 K - 25,000 K.
A simplified linear two-level zonally averaged atmospheric model is used to determine the minimum zonal kinetic energy (ZKE) plus the zonal available potential energy (ZAPE) of equilibrium states for any distribution of horizontal eddy momentum fluxes. The model assumes fixed thermal forcing except for coefficients of the longwave radiative response to temperature. Some distinctive features of the model solutions are described. It is found that: the states of minimum ZKE or minimum ZKE + ZAPE contain a jet stream; the structure of the zonal winds is dependent on thermal forcing; the horizontal eddy momentum fluxes which minimize ZKE or ZKE + ZAPE can be up-gradient everywhere with respect to the upper level zonal mean zonal winds, or down-gradient depending on the thermal forcing; ZKE minimization results in a jet stream at 54 deg latitude independent of external parameters. The minimization of ZKE + ZAPE results in a jet stream at 35 deg latitude for a planet of the earth's radius and similar static stability.
An in-depth investigation of the energetics, including boundary transports, was conducted on four equal-area regions in the tropical Southern Hemisphere during the SOP-1 period in 1979. The regions, each approximately centered on one of the wave axes of maximum warm rising air, include the SPCZ (115 deg W - 155 deg E) and the Australian (155-65 deg E), the African (65 deg E - 25 deg W), and the South American (25-115 deg W) regions. Daily variations of the energy conversions were examined, and time-averaged result of energy contents, conversions, and boundary transports were compiled for January 10-27. Results show that the eddy kinetic energy (KE) exceeds the eddy available potential energy (AE) in all four regions, with the largest excess being in the SPCZ. Of the conversion and flux terms, only the conversion of AE to KE is significant (again, with the greatest value in the SPCZ). An evaluation of boundary fluxes of KE indicates that the only significant transport between regions is a flow of KE from the SPCZ region into the South American region.
The first accurate theoretical values for off-diagonal (i.e., line-coupling) pressure-broadening cross sections are presented. Calculations were done for CO perturbed by He at thermal collision energies using an accurate ab initio potential energy surface. Converged close coupling, i.e., numerically exact values, were obtained for coupling to the R(0) and R(2) lines. These were used to test the coupled states (CS) and infinite order sudden (IOS) approximate scattering methods. CS was found to be of quantitative accuracy (a few percent) and has been used to obtain coupling values for lines to R(10). IOS values are less accurate, but, owing to their simplicity, may nonetheless prove useful as has been recently demonstrated.
Providing power over the 354 hour lunar night provides a considerable challenge to solar power concepts for a moonbase. Concepts are reviewed for providing night power for a solar powered moonbase. The categories of solutions considered are electrical storage, physical storage, transmitted power, and innovative concepts. Electrical storage is the most well-developed option. Less developed electrical storage options are capacitors and superconducting inductors. Physical storage options include storage of potential energy and storage of energy in flywheels. Thermal storage has potentially high energy/weight, but problems of conduction and radiation losses during the night need to be addressed. Transmitted power considers use of microwave or laser beams to transmit power either from orbit or directly from the Earth. Finally, innovative concepts proposed include reflecting light from orbital mirrors, locating the moonbase at a lunar pole, converting reflected Earthlight, or moving the moonbase to follow the sun.
Providing power over the 354 hour lunar night provides a considerable challenge to solar power concepts for a moonbase. Concepts are reviewed for providing night power for a solar powered moonbase. The categories of solutions considered are electrical storage, physical storage, transmitted power, and innovative concepts. Electrical storage is the most well-developed option. Less developed electrical storage options are capacitors and superconducting inductors. Physical storage options include storage of potential energy and storage of energy in flywheels. Thermal storage has potentially high energy/weight, but problems of conduction and radiation losses during the night need to be addressed. Transmitted power considers use of microwave or laser beams to transmit power either from orbit or directly from the earth. Finally, innovative concepts proposed include reflecting light from orbital mirrors, locating the moonbase at a lunar pole, converting reflected earthlight, or moving the moonbase to follow the sun.