Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Transition state”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 361 records · Page 20

Runtime Verification of C Programs

We present in this paper a framework, RMOR, for monitoring the execution of C programs against state machines, expressed in a textual (nongraphical) format in files separate from the program. The state machine language has been inspired by a graphical state machine language RCAT recently developed at the Jet Propulsion Laboratory, as an alternative to using Linear Temporal Logic (LTL) for requirements capture. Transitions between states are labeled with abstract event names and Boolean expressions over such. The abstract events are connected to code fragments using an aspect-oriented pointcut language similar to ASPECTJ's or ASPECTC's pointcut language. The system is implemented in the C analysis and transformation package CIL, and is programmed in OCAML, the implementation language of CIL. The work is closely related to the notion of stateful aspects within aspect-oriented programming, where pointcut languages are extended with temporal assertions over the execution trace.

RMOR↗

The superconducting state of the high-transition temperature superconductors: Experimental basis

Experiments on the high-T(sub c) cuprate superconductors continue to narrow the possible theoretical explanations of the phenomenon. Experimental evidence to date points to a BCS-like state, with pairs in singlet s-states, the familiar gap in the excitation spectrum, type 2 behavior in a magnetic field and a normal state with fermi liquid origins. Several other features of the superconducting state in the cuprates, however, appear to differ from those of conventional alloy superconductors (these relate to the detailed structure of the gap and to the nature of the coupling mechanism). Recent experiments have helped clarify what these differences are, and together with the earlier experiments, they now impose still stronger constraints on theories of these superconductors. These and other developments will be reviewed.

Little, W. A.↗

The superconducting state of the high-transition temperature superconductors: Experimental basis

Experiments on the high-T(sub c) cuprate superconductors continue to narrow the possible theoretical explanations of the phenomenon. Experimental evidence to date points to a BCS-like state, with pairs in singlet s-states, the familiar gap in the excitation spectrum, Type 2 behavior in a magnetic field, and a normal state with fermi liquid origins. Several other features of the superconducting state in the cuprates, however, appear to differ from those of conventional alloy superconductors (these relate to the detailed structure of the gap and to the nature of the coupling mechanism). Recent experiments have helped clarify what these differences are, and together with the earlier experiments, they now impose still stronger constraints on theories of these superconductors. These and other developments are reviewed.

Little, W. A.↗

Line positions and intensities for the gamma 1 + gamma 2 and gamma 2 + gamma 3 bands of (16)O3

Using 0.005 cm-resolution Fourier transform spectra of (16)O3, generated by electric discharge from a greater than 99.98 percent pure sample of (16)O3, an extensive analysis of the gamma 1 + gamma 2 and the gamma 2 + gamma 3 bands in the 5.7 micron region was performed. The rotational energy levels of the upper (110) and (011) vibrational states of (16)O3 were reproduced within their experimental uncertainties using a Hamiltonian which takes explicitly into account the Coriolis-type interaction occurring between the rotational energy levels of both states. Improved vibrational energies and rotational and coupling constants were also derived for the (110) and (011) states. Precise transition moment constants for these two bands were deduced from analysis of 220 measured line intensities. Finally, a complete list of line positions, intensities, and lower state energies for both bands has been generated.

Devi, V. Malathy↗

Calculating Free Energies Using Scaled-Force Molecular Dynamics Algorithm

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.

Darve, Eric↗

Rocket-Plume Spectroscopy Simulation for Hydrocarbon-Fueled Rocket Engines

The UV-Vis spectroscopic system for plume diagnostics monitors rocket engine health by using several analytical tools developed at Stennis Space Center (SSC), including the rocket plume spectroscopy simulation code (RPSSC), to identify and quantify the alloys from the metallic elements observed in engine plumes. Because the hydrocarbon-fueled rocket engine is likely to contain C2, CO, CH, CN, and NO in addition to OH and H2O, the relevant electronic bands of these molecules in the spectral range of 300 to 850 nm in the RPSSC have been included. SSC incorporated several enhancements and modifications to the original line-by-line spectral simulation computer program implemented for plume spectral data analysis and quantification in 1994. These changes made the program applicable to the Space Shuttle Main Engine (SSME) and the Diagnostic Testbed Facility Thruster (DTFT) exhaust plume spectral data. Modifications included updating the molecular and spectral parameters for OH, adding spectral parameter input files optimized for the 10 elements of interest in the spectral range from 320 to 430 nm and linking the output to graphing and analysis packages. Additionally, the ability to handle the non-uniform wavelength interval at which the spectral computations are made was added. This allowed a precise superposition of wavelengths at which the spectral measurements have been made with the wavelengths at which the spectral computations are done by using the line-by-line (LBL) code. To account for hydrocarbon combustion products in the plume, which might interfere with detection and quantification of metallic elements in the spectral region of 300 to 850 nm, the spectroscopic code has been enhanced to include the carbon-based combustion species of C2, CO, and CH. In addition, CN and NO have spectral bands in 300 to 850 nm and, while these molecules are not direct products of hydrocarbon-oxygen combustion systems, they can show up if nitrogen or a nitrogen compound is present as an impurity in the propellants and/or these can form in the boundary layer as a result of interaction of the hot plume with the atmosphere during the ground testing of engines. Ten additional electronic band systems of these five molecules have been included into the code. A comprehensive literature search was conducted to obtain the most accurate values for the molecular and the spectral parameters, including Franck-Cordon factors and electronic transition moments for all ten band systems. For each elemental transition in the RPSSC, six spectral parameters - Doppler broadened line width at half-height, pressure-broadened line width at half-height, electronic multiplicity of the upper state, electronic term energy of the upper state, Einstein transition probability coefficient, and the atomic line center - are required. Input files have been created for ten elements of Ni, Fe, Cr, Co, Cu, Ca, Mn, Al, Ag, and Pd, which retain only relatively moderate to strong transitions in 300 to 430 nm spectral range for each element. The number of transitions in the input files is 68 for Ni; 148 for Fe; 6 for Cr; 87 for Co; 1 for Ca; 3 for Mn; 2 each for Cu, Al, and Ag; and 11 for Pd.

Tejwani, Gopal D.↗

Modifying Operating Cycles to Increase Stability in a LITS

The short-term instability in the frequency of a linear-ion-trap frequency standard (LITS) can be reduced by modifying two cycles involved in its operation: (1) the bimodal (bright/dim) cycle of a plasma discharge lamp used for state preparation and detection and (2) a microwave-interrogation cycle. The purpose and effect of the modifications is to enable an increase in the microwave- interrogation cycle time, motivated by the general principle that the short-term uncertainty or instability decreases with increasing microwave-interrogation time. Stated from a slightly different perspective, the effect of modifications is to enable the averaged LITS readings to settle to their longterm stability over a shorter total observation time. The basic principles of a LITS were discussed in several NASA Tech Briefs articles. Here are recapitulated only those items of background information necessary to place the present modifications in context. A LITS includes a microwave local oscillator, the frequency of which is stabilized by comparison with the frequency of a ground-state hyperfine transition of Hg-199(+) ions. In a LITS of the type to which the modifications apply, the comparison involves a combination of optical and micro wave excitation and interrogation of the ions in two collinear ion traps: a quadrupole trap wherein the optical excitation used for state preparation and detection takes place, and a multipole (e.g., 12-pole) trap wherein the microwave interrogation of the clock transition takes place. The ions are initially loaded into the quadrupole trap and are thereafter shuttled between the two traps. This concludes the background information.

Burt, Eric↗

Recent nuclear pumped laser results

Recent direct nuclear pumped laser research has concentrated on experiments with three gas mixtures (Ne-N2, He-Ne-O2, and He-Hg). One mixture has been made to lase and gain has been achieved with the other two. All three of these mixtures are discussed with particular attention paid to He-Hg. Of interest is the 6150-angstroms ion transition in Hg(+). The upper state of this transition is formed directly by charge transfer and by Penning ionization.

Miley, G. H.↗

Surface roughening as a precursor to the polymorphic transition in CBr4

The morphology of CBr4 crystals was microscopically studied at temperatures near the polymorphic transition (Ttr = 47 C) during growth from the vapor. The observations presented here give evidence that surface roughening is occurring with increasing temperature as an apparent precursor of the solid state phase transition.

Ming, Nai-Ben↗

Self broadening in the nu-1 band of NH3

Self-broadening coefficients, pressure shifts, and integrated intensities have been measured for Q- and R-branch transitions in the nu-1 fundamental band of ammonia using a difference-frequency laser spectrometer. A strong, systematic J and K dependence of the broadening coefficients, reminiscent of the ground-state inversion transitions, is observed and compared with semiclassical line broadening calculations. Dicke narrowing is evident at intermediate pressures for the sharpest lines, primarily the R(J, 0) transitions. Incipient line mixing is apparent in the Q branch at pressures above about 0.1 bar.

Markov, V. N.↗

Perturbations in Brain Functional Connectivity Patterns After Waking From Slow Wave Sleep Under Different Cognitive States

Sleep inertia refers to the state of transition between sleep and wake characterized by impaired alertness, confusion, and reduced cognitive and behavioral performance. While the behavioral symptoms of sleep inertia are well described, the neurological changes that lead to this state remain elusive. Here, to understand the state of sleep inertia and the reorganization that the brain undergoes, we took a graph theoretical approach and compared the EEG derived brain connectivity patterns before sleep and after waking up while participants (n = 10) performed multiple tasks that differed in cognitive complexities. We focused on how the degree and the clustering coefficient of brain regions (EEG sensors) change immediately after participants wake up from slow wave sleep. During a psychomotor vigilance task (PVT), designed to assess vigilant attention, we find that the brain regions with strong network connectivity (degree) before sleep show a reduction in connectivity after waking. In contrast, those with low connectivity before sleep have greater connectivity after waking. The regions that undergo these changes are specific to each participant and these findings are unique to the beta frequency range, which plays a key role in sensorimotor functioning and preserving the current state of the brain. Moreover, in tasks that required inhibitory control and arithmetic reasoning, we found that only regions with weak connectivity before sleep exhibited more connections after waking, but regions with high connectivity prior to sleeping remained unchanged, highlighting task specific effects. Furthermore, we find that during the PVT, the clustering coefficient within low frequency oscillations of the brain is reduced upon waking while it remains unchanged during other tasks. These results suggest that the connections between regions that are lost after abrupt awakening can be reallocated to other regions in order to renormalize the brain. However, this response may only be evident during specific cognitive states and may be more nuanced during complex task performance.

sleep inertia↗

Decay of some levels in O IV.

Oxygen IV transition multiplet relative intensities for measuring decay rates, using triply ionized emitters

OXYGEN SPECTRUM↗

Surface photovoltage due to photo-thermo-ionization of surface states - GaAs

Surface photovoltage spectroscopy was employed for studying the mechanism of subbandgap photoionization transitions from surface states in GaAs surfaces. It was found that the photoionization cross-section exhibits a maximum for a photon energy of about 0.9 eV. This finding indicates a photo-thermal mechanism of photovoltage, i.e., photo-induced transitions between surface state levels and the subsequent thermal ejection of electrons from the upper level into the conduction band.

Morawski, A.↗

Self-lubricated mantle convection: Two-dimensional models

We present results from convection models allowing for self-lubrication of downflows. Models impose a line source of chemically light, low viscosity material at the top of a convecting layer of temperature-dependent viscosity material. Low viscosity surface material serves as an analog to hydrated sediment/crust and the high viscosity upper portion of the convecting layer as an analog to mantle lithosphere. Slow near surface motion in the convecting layer entrains low viscosity material into zones of downflow, which has a lubricating effect. Once entrained lubricant is deeper than the cold high viscosity portion of the convecting layer, rapid upper boundary layer overturn occurs and system properties change (e.g., heat flux doubles). This marks transition to a lubricated state. Before and after transition, transport properties are dominantly determined by, respectively, the viscosity of mantle lithosphere and that of interior mantle. Lubricated and nonlubricated states appear as distinct regions in system output space suggesting that exchange between them is akin to a phase transition. That such exchange depends on a near surface lubricant implies that the geodynamics of planets lacking such lubricants may fundamentally differ from that of planets possessing them.

Lenardic, A.↗

ASSIST: User's manual

Semi-Markov models can be used to compute the reliability of virtually any fault-tolerant system. However, the process of delineating all of the states and transitions in a model of a complex system can be devastingly tedious and error-prone. The ASSIST program allows the user to describe the semi-Markov model in a high-level language. Instead of specifying the individual states of the model, the user specifies the rules governing the behavior of the system and these are used by ASSIST to automatically generate the model. The ASSIST program is described and illustrated by examples.

Johnson, S. C.↗

Automated model generation for reliability analysis programs

Semi-Markov models (a generalization of Markov models) can be used to calculate the reliability of virtually any fault-tolerant system. However, the process of delineating all of the states and transitions in the model of a complex system can be devastatingly tedious and error-prone. The ASSIST program allows the user to describe the semi-Markov model in a high-level language. Instead of specifying the individual states of the model, the user specifies the rules governing the behavior of the system, and these are used by ASSIST to automatically generate the model. A small number of statements in the abstract language can be used to describe a very large, complex model. Because no assumptions are made about the system being modeled, the ASSIST program can be used to generate models describing the behavior of any type of system. The ASSIST program and its input language are described and illustrated by examples.

Johnson, Sally C.↗

Modeling personnel turnover in the parametric organization

A model is developed for simulating the dynamics of a newly formed organization, credible during all phases of organizational development. The model development process is broken down into the activities of determining the tasks required for parametric cost analysis (PCA), determining the skills required for each PCA task, determining the skills available in the applicant marketplace, determining the structure of the model, implementing the model, and testing it. The model, parameterized by the likelihood of job function transition, has demonstrated by the capability to represent the transition of personnel across functional boundaries within a parametric organization using a linear dynamical system, and the ability to predict required staffing profiles to meet functional needs at the desired time. The model can be extended by revisions of the state and transition structure to provide refinements in functional definition for the parametric and extended organization.

Dean, Edwin B.↗

Improved excitation rate coefficients for the n = 2 and n = 3 levels of Ca XIX and Fe XXV including fine structure

Reently calculated collision strengths, including relativistic and resonance effects, are employed to compute Maxwellian averaged collision strengths for 78 transitions involving states of principal quantum numbers 2-1 and 3-1 in Ca XIX and Fe XXV. These rate parameters are tabulated at temperatures of interest in astrophysical and labortory plasmas with radiation in the hard X-ray wavelength range. For some transitions, significant differences are found with the earlier calculations of Pradhan, Norcross, and Hummer (1981).

Pradhan, A. K.↗