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At least 181 records · Page 10

Theoretical characterization of the minimum energy path for hydrogen atom addition to N2 - Implications for the unimolecular lifetime of HN2

Results are reported from CASSCF externally contracted CI ab initio computations of the minimum-energy path for the addition of H to N2. The theoretical basis and numerical implementation of the computations are outlined, and the results are presented in extensive tables and graphs and characterized in detail. The zero-point-corrected barrier for HN2 dissociation is estimated as 8.5 kcal/mol, and the lifetime of the lowest-lying quasi-bound vibrational state of HN2 is found to be between 88 psec and 5.8 nsec (making experimental observation of this species very difficult).

Walch, Stephen P.↗

Physics in strong magnetic fields near neutron stars

Electromagnetic phenomena occurring in the strong magnetic fields of neutron stars are currently of great interest in high-energy astrophysics. Observations of rotation rate changes and cyclotron lines in pulsars and gamma-ray bursts indicate that surface magnetic fields of neutron stars often exceed a trillion gauss. In fields this strong, where electrons behave much as if they were in bound atomic states, familiar processes undergo profound changes, and exotic processes become important. Strong magnetic fields affect the physics in several fundamental ways: energies perpendicular to the field are quantized, transverse momentum is not conserved, and electron-positron spin is important. Neutron stars therefore provide a unique laboratory for the study of physics in extremely high fields that cannot be generated on earth.

Harding, Alice K.↗

A determination of Mg(+)-ligand binding energies

Theoretical calculations employing large basis sets and including correlation are carried out for Mg(+) with methanol, water, and formaldehyde. For Mg(+) with ethanol and acetaldehyde, the trends in the binding energies are studied at the self-consistent-field level. The predictions for the binding energy of Mg(+) to methanol and water of 41 + or - 5 and 36 + or - 5 kcal/mol, respectively, are much less than the experimental upper bounds, of 61 + or - 5 and 60 + or - 5 kcal mol, determined by using photodissociation techniques. The theoretical results are inconsistent with the onset of Mg(+) production observed in the photodissociation experiments, as the smallest absorptions are calculated at about 80 kcal/mol for both Mg(+)-CH3OH and Mg(+)-H2O, and these transitions are to bound excited states. The binding energy for Mg(+) with formaldehyde is predicted to be similar to Mg(+)-H2O. The relative binding energies are in reasonable agreement with experiment. The binding energy of a second water molecule to Mg(+) is predicted to be similar to the first. This suggests that the reduced reaction rate observed for the second ligand is not a consequence of a significantly smaller binding energy, at least for the smaller ligards such as those considered in this work.

Bauschlicher, Charles W., Jr.↗

Induced ClO vacuum ultraviolet fluorescence

Some vibronic transitions of ClO such as G(v-prime = 11 )-X(v-double prime = 10), G(v-prime = 5)-X(v-double prime = 3) and H(v-prime = 4)-X(v-double prime = 2), which promote overtones of X(2pi3/2) to bound Rydberg states, are nearly resonant with the 130.6 nm O-atom emission line and possess sizable Franck-Condon factors. On this basis broadband detection of 'O atom' fluorescence in experiments involving vibrationally excited ClO(X) is ascribed to the radiative decay of ClO(G, H) rather than to the formation of O atoms; these observations raise the probability of monitoring ClO(X; v = 0) by VUV-induced fluorescence.

Colussi, A. J.↗

Field-Sensitive Materials for Optical Applications

The purpose of investigation is to develop the fundamental materials and fabrication technology for field-controlled spectrally active optics that are essential for industry, NASA, and DOD (Department of Defense) applications such as: membrane optics, filters for LIDARs (Light Detection and Ranging), windows for sensors and probes, telescopes, spectroscopes, cameras, light valves, light switches, flat-panel displays, etc. The proposed idea is based on the quantum-dots (QD) array or thin-film of field-sensitive Stark and Zeeman materials and the bound excitonic state of organic crystals that will offer optical adaptability and reconfigurability. Major tasks are the development of concept demonstration article and test data of field-controlled spectrally smart active optics (FCSAO) for optical multi-functional capabilities on a selected spectral range.

Choi, Sang H.↗

Computation of Free-Free Transitions in Atomic Physics: Foundations

The amplitude T for "free-free" processes, such as bremsstrahlung or photo- absorption by an electron in the continuum in the presence of an external field, is usually written as the matrix element of the radiation operator taken between two continuum states. However, unlike the case when at least one of the states is bound, as in radiative transitions, electron capture, or the photo-effect, this expression contains an unphysical term, proportional to a delta-function and is not really the physical amplitude Tphys. This continues to be true for both the velocity and length form of the dipole approximation to the amplitude T. We first give an a priori definition of Tphys in terms of the scattering parts of the continuum functions, which has an obvious interpretation in terms of time-ordered diagrams. We then show that when the formal amplitude is modified by a long- distance cutoff, the modified form approaches Tphys as the cutoff is removed. The modified form then serves as a basis for the definition of a physical velocity dipole amplitude and this in turn leads to an equivalent length form of the dipole amplitude. This exercise provides a clear theoretical basis for many extant calculations in which cutoff factors are introduces somewhat ad hoc, as needed.

Bhatia, A. K.↗

Comparing Consider-Covariance Analysis with Sigma-Point Consider Filter and Linear-Theory Consider Filter Formulations

Recent literature in applied estimation theory reflects growing interest in the sigma-point (also called unscented ) formulation for optimal sequential state estimation, often describing performance comparisons with extended Kalman filters as applied to specific dynamical problems [c.f. 1, 2, 3]. Favorable attributes of sigma-point filters are described as including a lower expected error for nonlinear even non-differentiable dynamical systems, and a straightforward formulation not requiring derivation or implementation of any partial derivative Jacobian matrices. These attributes are particularly attractive, e.g. in terms of enabling simplified code architecture and streamlined testing, in the formulation of estimators for nonlinear spaceflight mechanics systems, such as filter software onboard deep-space robotic spacecraft. As presented in [4], the Sigma-Point Consider Filter (SPCF) algorithm extends the sigma-point filter algorithm to the problem of consider covariance analysis. Considering parameters in a dynamical system, while estimating its state, provides an upper bound on the estimated state covariance, which is viewed as a conservative approach to designing estimators for problems of general guidance, navigation and control. This is because, whether a parameter in the system model is observable or not, error in the knowledge of the value of a non-estimated parameter will increase the actual uncertainty of the estimated state of the system beyond the level formally indicated by the covariance of an estimator that neglects errors or uncertainty in that parameter. The equations for SPCF covariance evolution are obtained in a fashion similar to the derivation approach taken with standard (i.e. linearized or extended) consider parameterized Kalman filters (c.f. [5]). While in [4] the SPCF and linear-theory consider filter (LTCF) were applied to an illustrative linear dynamics/linear measurement problem, in the present work examines the SPCF as applied to nonlinear sequential consider covariance analysis, i.e. in the presence of nonlinear dynamics and nonlinear measurements. A simple SPCF for orbit determination, exemplifying an algorithm hosted in the guidance, navigation and control (GN&C) computer processor of a hypothetical robotic spacecraft, was implemented, and compared with an identically-parameterized (standard) extended, consider-parameterized Kalman filter. The onboard filtering scenario examined is a hypothetical spacecraft orbit about a small natural body with imperfectly-known mass. The formulations, relative complexities, and performances of the filters are compared and discussed.

Lisano, Michael E.↗

Expedition Earth and Beyond: Using NASA Data Resources and Integrated Educational Strategies to Promote Authentic Research in the Classroom

Teachers in today s classrooms are bound by state required skills, education standards, and high stakes testing. How can they gain skills and confidence to replace units or individual activities with curriculum that incorporates project and inquiry-based learning and promotes authentic research in the classroom? The key to promoting classroom authentic research experiences lies in educator professional development that is structured around teacher needs. The Expedition Earth and Beyond Program is a new geosciences program based at the NASA Johnson Space Center designed to engage, inspire and educate teachers and students in grades 5-14. The program promotes authentic research experiences for classrooms and uses strategies that will help NASA reach its education goals while still allowing educators to teach required standards. Teachers will have access to experts in terrestrial and planetary remote sensing and geoscience; this will enhance their use of content, structure, and relevant experiences to gain the confidence and skills they need to actively engage students in authentic research experiences. Integrated and powerful educational strategies are used to build skills and confidence in teachers. The strategies are as follows: 1) creating Standards-aligned, inquiry-based curricular resources as ready-to-use materials that can be modified by teachers to fit their unique classroom situation; 2) providing ongoing professional development opportunities that focus on active experiences using curricular materials, inquiry-based techniques and expanding content knowledge; 3) connecting science experts to classrooms to deepen content knowledge and provide relevance to classroom activities and real world applications; 4) facilitating students sharing research with their peers and scientists reinforcing their active participation and contributions to research. These components of the Expedition Earth and Beyond Education Program will be enhanced by providing exciting and diverse research opportunities that are inspired by views of Earth from space taken by astronauts on board the International Space Station. The interest and connection to viewing our home planet from space will inevitably spark questions that will drive students to pursue their research investigations, as well as forming a basis for comparisons to the exploration of other planetary bodies in our solar system.

Graffi, Paige Valderrama↗

Comparison of Aircraft Models and Integration Schemes for Interval Management in the TRACON

Reusable models of common elements for communication, computation, decision and control in air traffic management are necessary in order to enable simulation, analysis and assurance of emergent properties, such as safety and stability, for a given operational concept. Uncertainties due to faults, such as dropped messages, along with non-linearities and sensor noise are an integral part of these models, and impact emergent system behavior. Flight control algorithms designed using a linearized version of the flight mechanics will exhibit error due to model uncertainty, and may not be stable outside a neighborhood of the given point of linearization. Moreover, the communication mechanism by which the sensed state of an aircraft is fed back to a flight control system (such as an ADS-B message) impacts the overall system behavior; both due to sensor noise as well as dropped messages (vacant samples). Additionally simulation of the flight controller system can exhibit further numerical instability, due to selection of the integration scheme and approximations made in the flight dynamics. We examine the theoretical and numerical stability of a speed controller under the Euler and Runge-Kutta schemes of integration, for the Maintain phase for a Mid-Term (2035-2045) Interval Management (IM) Operational Concept for descent and landing operations. We model uncertainties in communication due to missed ADS-B messages by vacant samples in the integration schemes, and compare the emergent behavior of the system, in terms of stability, via the boundedness of the final system state. Any bound on the errors incurred by these uncertainties will play an essential part in a composable assurance argument required for real-time, flight-deck guidance and control systems,. Thus, we believe that the creation of reusable models, which possess property guarantees, such as safety and stability, is an innovative and essential requirement to assessing the emergent properties of novel airspace concepts of operation.

Neogi, Natasha↗

Application of GPS to Enable Launch Vehicle Upper Stage Heliocentric Disposal

To properly dispose of the upper stage of the Space Launch System, the vehicle must perform a burn in Earth orbit to perform a close flyby of the Lunar surface to gain adequate energy to enter into heliocentric space. This architecture was selected to meet NASA requirements to limit orbital debris in the Earth-Moon system. The choice of a flyby for heliocentric disposal was driven by mission and vehicle constraints. This paper describes the SLS mission for Exploration Mission -1, a high level overview of the Block 1 vehicle, and the various disposal options considered. The research focuses on this analysis in terms of the mission design and navigation problem, focusing on the vehicle-level requirements that enable a successful mission. An inertial-only system is shown to be insufficient for heliocentric flyby due to large inertial integration errors from launch through disposal maneuver while on a trans-lunar trajectory. The various options for aiding the navigation system are presented and details are provided on the use of GPS to bound the state errors in orbit to improve the capability for stage disposal. The state estimation algorithm used is described as well as its capability in determination of the vehicle state at the start of the planned maneuver. This data, both dispersions on state and on errors, is then used to develop orbital targets to use for meeting the required Lunar flyby for entering onto a heliocentric trajectory. The effect of guidance and navigation errors on this capability is described as well as the identified constraints for achieving the disposal requirements. Additionally, discussion is provided on continued analysis and identification of system considerations that can drive the ability to integrate onto a vehicle intended for deep space.

Anzalone, Evan J.↗

Improving the Representation of Land Surface Processes Using the Data Assimilation Research Testbed (DART)

The land surface is a critical part of the earth system as processes related to water, carbon, energy and nitrogen cycling have important implications for climate forcing, air quality, water availability and seasonal atmospheric forecasting. Despite advances in land surface modeling, land surface model performance is often limited because of errors related to initial and boundary conditions, model structure, and parameters. Data assimilation (DA) techniques combined with an expanding network of earth system observations present an opportunity to reduce these errors and improve simulations. Here, we emphasize the implementation of tools and approaches to overcome challenges related to land DA to constrain carbon and water cycling. In particular, we discuss the implementation of adaptive inflation to modify ensemble spread in response to time-varying networks of gridded observations. We also discuss methods to generate ensemble spread through boundary condition (meteorology) forcing that can be applied to site-level applications. Next, we describe the application of vertical localization upon surface soil moisture observations, and forward operators specifically designed for the assimilation of snow and solar-induced fluorescence observations. Finally, we discuss the potential benefit of a quantile conserving filter used to update bounded quantities (state or parameter values).

Brett Raczka↗

College Bound with the Office of Educational Programs

The Educational Programs Office at NASA Glenn Research Center hosts a variety of programs that takes on the hard task of getting students of all ages interested in pursuing careers in science, mathematics, and engineering. To help assist students along the way there are many programs to participate in such as: the explorers, shadowing opportunities, and paid internships. The Educational Programs Office not only creates learning opportunities for students, they also host workshops to help educators enhance their knowledge these fields. This summer I assisted Marie Borowski in the Educational Programs Office with the Tennessee State University College Bound Program. The Tennessee state University College Bound Program is an intensive two-week summer academic workshop designed to introduce minority students to the profession of engineering. NASA Glenn Research Center sent forty dedicated students on a bus to Nashville, Tennessee to experience college life as a whole. At the college the students day consisted of a math class, aeronautics, ACT/SAT preparation, writing and research, African American Culture, computer science, and study sessions. The students also went on educational field trips to the Fisk Museum, the Space and Rocket Center, and the Parthenon Museum. On the last day of the program the students competed in an oratorical contest where the students made a Powerpoint presentation on the class that they enjoyed the most. There were many processes that had to be put into action for the college bound program to run smoothly. The process started in early January with the preparation of applications. Once prepared, the applications were then sent to schools and past participants in hopes of receiving a well-qualified pool of applicants. Once the applications were received, a prescreening is done which ensures all of the information is complete. Then, they are reviewed by a panel, using a rubric to evaluate them, and the semifinalists are then selected. Interviews are held with the students and their parents had to be interviewed by a panel of judges and graded on a rubric. The scores were added up and the forty students were selected. My job this summer was getting the students ready to leave for Tennessee. My job consisted of working very closely with my mentor, Marie Borowski, compile the student data to provide it to the chaperones, TSU records, and NASA records. I learned about the vital communication between the NASA and the TSU program managers. After all the planning was done and the program had begun I had a chance to fly to Tennessee for six days to observe the students daily activities. The students had adjusted very well to the intense schedule, and seemed very enthusiastic about the activities to follow. The whole group was very attentive and enthusiastic program be longer. My goals for the summer were all met. I wanted to learn and retain all the information I possibly could on the job I was given. I was very happy with the end result.

Neal, Brittany D.↗

Separation of time scales in aircraft trajectory optimization

Two methods for analyzing the time-scale properties of aircraft trajectory optimization problems are presented. Time-scale properties must be identified before solutions can be obtained by using singular perturbation methods. Both methods only require a knowledge of the state equations, the aircraft characteristics, and the bounds on the state and control variables. Although these methods give only rough estimates of time-scale separation, they do not require that an 'exact' optimal trajectory be known, as do the more rigorous methods, and they are an improvement on the ad hoc methods currently in use. The two methods are applied to an example problem for a high performance aircraft.

Ardema, M. D.↗

Theoretical study of the lowest 5Pi and 5Sigma(+) states of CO

Large one-particle basis sets and the internally contracted multireference configuration-interaction treatment of electron correlation were used to characterize the lowest 5Pi and 5Sigma(+) states of CO. It was found that the (1)5Sigma(+) state is weakly bound with an r(e) of 4.76 a(0), supporting results of calculations by Rosenkrantz et al. (1992). The (1)5Pi state has a weakly bound outer well and a significantly bound inner well.

Bauschlicher, Charles W., Jr.↗

Do the higher oxidation states of the photosynthetic O2-evolving system contain bound H2O?

A modified mass spectrometer was used to determine whether the higher oxidation states of the photosynthetic O2-evolving system contain substrate water that is not freely exchangeable with the external medium. Our data indicated that the higher oxidation states contain no appreciable bound, non-exchangeable H2O. This suggests that H2O oxidation takes place via a rapid, concerted, all-or-none mechanism rather than by a mechanism involving stable, partially oxidized, H2O-derived intermediates. These findings set definite constraints on possible mechanisms of O2 evolution.

NASA Discipline Life Support Systems↗

Semi-Markov Unreliability Range Evaluator (SURE)

Analysis tool for reconfigurable, fault-tolerant systems, SURE provides efficient way to calculate accurate upper and lower bounds for death state probabilities for large class of semi-Markov models. Calculated bounds close enough for use in reliability studies of ultrareliable computer systems. Written in PASCAL for interactive execution and runs on DEC VAX computer under VMS.

Butler, R. W.↗