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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.

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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

The laboratory millimeter-wave spectrum of methyl formate in its ground torsional E state

Over 250 rotational transitions of the internal rotor methyl formate (HCOOCH3) in its ground v(t) = 0 degenerate (E) torsional substate have been measured in the millimeter-wave spectral region. These data and a number of E-state lines identified by several other workers have been analyzed using an extension of the classical principal-axis method in the high barrier limit. The resulting rotational constants allow accurate prediction of the v(t) = 0 E substate methyl formate spectrum below 300 GHz between states with angular momentum J not greater than 30 and rotational energy of not more than 350/cm. The calculated transition frequencies for the E state, when combined with the results of the previous analysis of the ground-symmetric, nondegenerate state, account for over 200 of the emission lines observed toward Orion in a recent survey of the 215-265 GHz band.

Plummer, G. M.↗
NASA NTRS1987

Statistical equilibrium in cometary C2. IV - A 10 level model including singlet-triplet transitions

Resonance fluorescence theory was used to calculate the population distribution in the energy states of the C2 molecule in comets. Ten electronic states, each with 14 vibrational states, were used in the calculations. These new calculations differ from earlier work in terms of additional electronic levels and the role of singlet-triplet transitions between the b and X levels. Since transition moments are not known, calculations are made of observable flux ratios for an array of possible values. Comparison with existing observations indicates that the a-X transition is very important, and there is marginal indication that the b-X transition is present. Swan band sequence flux ratios at large heliocentric distance are needed, as are accurate Mulliken/Swan and Phillips/Ballik-Ramsay (1963) observations.

Krishna Swamy, K. S.↗
NASA NTRS1978

A theoretical study of the electronic transition moment for the C2 Swan band system

Large-scale self-consistent-field plus configuration-interaction calculations have been performed for the a 3Pi u and d 3Pi g states of C2. The theoretical potential curves are in good agreement with those found by a Klein-Dunham analysis of measured molecular constants in terms of shape and excitation energy. The sum of the squares of the theoretical transition moments between the states at 2.44 bohr is 4.12 a.u. which agrees with the results of shock tube measurements. The variation in the sum of the squares of the theoretical moments with internuclear separation agrees with the values of Danylewych and Nicholls (1974). Based on the data for C2 and mother molecules, it is suggested that CI calculations using near Hartree-Fock quality Slater basis sets produce highly reliable transition moments.

Arnold, J. O.↗
NASA NTRS2010

Discovery and Monitoring of a New Black Hole Candidate XTE J1752-223 with RXTE: RMS Spectrum Evolution, BH Mass and the Source Distance

We report on the discovery and monitoring observations of a new galactic black hole candidate XTE J1752-223 by Rossi X-ray Timing Explorer (RXTE). The new source appeared on the X-ray sky on October 21 2009 and was active for almost 8 months. Phenomenologically, the source exhibited the low-hard/highsoft spectral state bi-modality and the variability evolution during the state transition that matches standard behavior expected from a stellar mass black hole binary. We model the energy spectrum throughout the outburst using a generic Comptonization model assuming that part of the input soft radiation in the form of a black body spectrum gets reprocessed in the Comptonizing medium. We follow the evolution of fractional root-mean-square (RMS) variability in the RXTE/PCA energy band with the source spectral state and conclude that broad band variability is strongly correlated with the source hardness (or Comptonized fraction). We follow changes in the energy distribution of rms variability during the low-hard state and the state transition and find further evidence that variable emission is strongly concentrated in the power-law spectral component. We discuss the implication of our results to the Comptonization regimes during different spectral states. Correlations of spectral and variability properties provide measurements of the BH mass and distance to the source. The spectral-timing correlation scaling technique applied to the RXTE observations during the hardto- soft state transition indicates a mass of the BH in XTE J1752-223 between 8 and 11 solar masses and a distance to the source about 3.5 kiloparsec.

Shaposhinikov, Nikolai↗
NASA NTRS1990

A cloudiness transition in a marine boundary layer

Boundary layer cloudiness plays several important roles in the energy budget of the earth. Low level stratocumulus are highly reflective clouds which reduce the net incoming shortwave radiation at the earth's surface. Climatically, the transition to a small area fraction of scattered cumulus clouds occurs as the air flows over warmer water. Although these clouds reflect less sunlight, they still play an important role in the boundary layer equilibrium by transporting water vapor upwards, and enhancing the surface evaporation. The First ISCCP (International Satellite Cloud Climatology Project) Regional Experiment (FIRE) included a marine stratocumulus experiment off the southern California coast from June 29 to July 19, 1987. The objectives of this experiment were to study the controls on fractional cloudiness, and to assess the role of cloud-top entrainment instability (CTEI) and mesoscale structure in determining cloud type. The focus is one research day, July 7, 1987, when coordinated aircraft missions were flown by four research aircraft, centered on a LANDSAT scene at 1830 UTC. The remarkable feature of this LANDSAT scene is the transition from a clear sky in the west through broken cumulus to solid stratocumulus in the east. The dynamic and thermodynamic structure of this transition in cloudiness is analyzed using data from the NCAR Electra. By averaging the aircraft data, the internal structure of the different cloud regimes is documented, and it is shown that the transition between broken cumulus and stratocumulus is associated with a change in structure with respect to the CTEI condition. However, this results not from sea surface temperature changes, but mostly from a transition in the air above the inversion, and the breakup appears to be at a structure on the unstable side of the wet virtual adiabat.

Betts, Alan K.↗
NASA NTRS1995

A new non-eddy viscosity subgrid-scale model and its application to channel flow

To date, most large-eddy simulations (LES) have been carried out with eddy viscosity subgrid scale (SGS) models, with only a few exceptions that used the mixed model. Even though the assumptions behind Smagorinsky's model are rather stringent, it has been applied successfully to a variety of turbulent flows. This success is attributed to the ability of eddy viscosity models to drain energy from large scales, thus simulating the dissipative nature of turbulence. Most SGS models are absolutely dissipative, i.e. they remove energy from the large scales at every instant. However, SGS stresses may transfer energy back to the large scales intermittently; this reverse transfer or backscatter is especially important in geophysical flows and in transition. In a fully developed channel flow, there is reverse flow of energy from small to large scales near the walls, but eddy viscosity models are unable to account for this important feature. The dynamic localization eddy viscosity model of Ghosal et al. (1995) allows backscatter by co-evolving an auxiliary equation for the SGS energy; however, the computational cost is considerably larger than for conventional SGS models (Cabot 1994). In this report, a new non-eddy viscosity model based on local approximation of total quantities in terms of filtered ones is introduced; the scale similarity model of Bardina (1983) is a special case of this model. This procedure does not require the assumption of homogeneity, permits backscatter of energy from small to large scales, and is readily implemented in finite difference codes. The results of applying the proposed model to second order finite volume simulation of plane channel flow at high Reynolds numbers (Re(sub b) = 38,000) is described in this report. Greater emphasis is placed on the high Reynolds number flow since it provides a more rigorous test of the SGS model and its potential application. The results are compared to ones produced by the conventional and dynamic Smagorinsky models and the spectral LES of Piomelli (1993).

Shah, K. B.↗
NASA NTRS1990

Numerical simulation of transition in a rotating disk flow

An investigation of the laminar-turbulence transition process in a three-dimensional boundary layer on a rotating disk is initiated. Preliminary results from a direct numerical simulation using spectral collocation method are presented. The simulation results in the linear regime is tested against linear stability theory. Saturation of the primary disturbance energy suggests the importance of modal interaction in initiating transition.

Balachandar, S.↗
NASA NTRSDate not supplied

Towards Accurate and Efficient Predictions of Martensitic Transition Temperatures for Shape Memory Alloys from First Principles

Recent rapid progresses in physics theory and computational power have made it possible to predict the martensitic transition temperatures (MTTs) in shape memory alloys (SMAs) from first principles [1-3]. In particular, rigorous while time-consuming thermodynamic integration has been employed to compute the anharmonic phonon free energies, which play a crucial role in determining martensitic phase transitions in SMAs. However, this approach has only been applied to simple binaries, and its accuracy is unsatisfying for certain SMAs such as the most commonly used NiTi. In this work, we report on several new developments to our method that bring first-principles theory and experiment much closer into agreement including the MTT of NiTi, and that improve the computational efficiency significantly. We have applied our refined approach to investigate the Ni0.5Ti0.5-xHfx and PdxNi0.5-xTi0.5 ternaries, and the predicted MTT for each composition is within 100K compared with experiment. We will address various techniques to overcome the difficulty encountered in studying ternaries. Our theoretical approach is expected to be a broadly applicable and predictive theory for designing complex SMAs with desirable properties. [1] J.B. Haskins, A.E. Thompson,and J.W. Lawson, Phys. Rev B 94, 214110 (2016). [2] J.B. HaskinsandJ.W. Lawson, J. App. Phys. 121, 205103 (2017). [3] J.B. Haskins, H. Malmir, S. J. Honrao, L. A. Sandoval, and J.W. Lawson, Acta Materialia 212, 116872 (2017).

Zhigang Wu↗
NASA NTRSDate not supplied

Towards Accurate and Efficient Predictions of Martensitic Transition Temperatures for Shape Memory Alloys from First Principles

Recent rapid progresses in physics theory and computational power have made it possible to predict the martensitic transition temperatures (MTTs) in shape memory alloys (SMAs) from first principles [1-3]. In particular, rigorous while time-consuming thermodynamic integration has been employed to compute the anharmonic phonon free energies, which play a crucial role in determining martensitic phase transitions in SMAs. However, this approach has only been applied to simple binaries, and its accuracy is unsatisfying for certain SMAs such as the most commonly used NiTi. In this work, we report on several new developments to our method that bring first-principles theory and experiment much closer into agreement including the MTT of NiTi, and that improve the computational efficiency significantly. We have applied our refined approach to investigate the Ni0.5Ti0.5-xHfx and PdxNi0.5-xTi0.5 ternaries, and the predicted MTT for each composition is within 100K compared with experiment. We will address various techniques to overcome the difficulty encountered in studying ternaries. Our theoretical approach is expected to be a broadly applicable and predictive theory for designing complex SMAs with desirable properties.

Zhigang Wu↗
NASA NTRS1999

Modeling of THz Lasers Based on Intersubband Transitions in Semiconductor Quantum Wells

In semiconductor quantum well structures, the intersubband energy separation can be adjusted to the terahertz (THz) frequency range by changing the well width and material combinations. The electronic and optical properties of these nanostructures can also be controlled by an applied dc electric field. These unique features lead to a large frequency tunability of the quantum well devices. In the on-going project of modeling of the THz lasers, we investigate the possibility of using optical pumping to generate THz radiation based on intersubband transitions in semiconductor quantum wells. We choose the optical pumping because in the electric current injection it is difficult to realize population inversion in the THz frequency range due to the small intersubband separation (4-40 meV). We considered both small conduction band offset (GaAs/AlGaAs) and large band offset (InGaAs/AlAsSb) quantum well structures. For GaAs/AlGaAs quantum wells, mid-infrared C02 lasers are used as pumping sources. For InGaAs/AlAsSb quantum wells, the resonant intersubband transitions can be excited by the near-infrared diode lasers. For three- and four-subband quantum wells, we solve the pumpfield-induced nonequilibrium distribution function for each subband of the quantum well system from a set of rate equations that include both intrasubband and intersubband relaxation processes. Taking into account the coherent interactions between pump and THz (signal) waves, we calculate the optical gain for the THz field. The gain arising from population inversion and stimulated Raman processes is calculated in a unified manner. A graph shows the calculated THz gain spectra for three-subband GaAs/AlGaAs quantum wells. We see that the coherent pump and signal wave interactions contribute significantly to the gain. The pump intensity dependence of the THz gain is also studied. The calculated results are shown. Because of the optical Stark effect and pump-induced population redistribution, the maximum THz gain saturates at larger pump intensities.

Liu, Ansheng↗
NASA NTRS1987

Effective collision strengths for electron impact excitations in S II

Electron impact collision strengths for forbidden, semiforbidden, and allowed transitions in S II calculated using the R-matrix method are presented. Configuration interaction wave functions are used to represent the six target states included in the calculation. At low impact energies the collision strengths are dominated by resonances for several transitions. The contribution from higher partial waves is obtained in the close-coupling approximation with exchange terms omitted. Results are presented for the effective collision strengths over a wide temperature range (5000-150,000 K) of astrophysical interest. The present results for the 4S(0) yields 2P(0) transition are 20-30 percent lower than previous calculations, while for the 4S(0) yields 2D(0) transition they are in good agreement. The results are approximately 30 percent higher than those of Ho and Henry (1983) for the 4S(0) yields 2P(0) transition at 80,000 K, and the difference between the two results increases with decreasing temperatures (under 80,000 K).

Tayal, S. S.↗
NASA NTRS2013

Designing the X-Ray Microcalorimeter Spectrometer for Optimal Science Return

Recent advances in X-ray microcalorimeters enable a wide range of possible focal plane designs for the X-ray Microcalorimeter Spectrometer (XMS) instrument on the future Advanced X-ray Spectroscopic Imaging Observatory (AXSIO) or X-ray Astrophysics Probe (XAP). Small pixel designs (75 microns) oversample a 5-10" PSF by a factor of 3-6 for a 10 m focal length, enabling observations at both high count rates and high energy resolution. Pixel designs utilizing multiple absorbers attached to single transition-edge sensors can extend the focal plane to cover a significantly larger field of view, albeit at a cost in maximum count rate and energy resolution. Optimizing the science return for a given cost and/or complexity is therefore a non-trivial calculation that includes consideration of issues such as the mission science drivers, likely targets, mirror size, and observing efficiency. We present a range of possible designs taking these factors into account and their impacts on the science return of future large effective-area X-ray spectroscopic missions.

X-rays↗
NASA NTRS1983

Pressure-induced phase transition of HgS

The high pressure phase transition of cinnabar (alpha-HgS) was studied by energy dispersive X-ray diffraction using a synchrotron X-ray source. The cinnabar crystal structure was found to transform to the sodium-chloride structure at about 130 kbar. The lattice parameter of the new phase was determined to be 5.070 + or - 0.005 A at 300 kbar. No further phase transition was observed up to 400 kbar.

Huang, T.↗
NASA NTRS2017

High Count-Rate Study of Two TES X-Ray Microcalorimeters With Different Transition Temperatures

We have developed transition-edge sensor (TES) microcalorimeter arrays with high count-rate capability and high energy resolution to carry out x-ray imaging spectroscopy observations of various astronomical sources and the Sun. We have studied the dependence of the energy resolution and throughput (fraction of processed pulses) on the count rate for such microcalorimeters with two different transition temperatures T(sub c). Devices with both transition temperatures were fabricated within a single microcalorimeter array directly on top of a solid substrate where the thermal conductance of the microcalorimeter is dependent upon the thermal boundary resistance between the TES sensor and the dielectric substrate beneath. Because the thermal boundary resistance is highly temperature dependent, the two types of device with different T(sub c)(sup s) had very different thermal decay times, approximately one order of magnitude different. In our earlier report, we achieved energy resolutions of 1.6 and 2.eV at 6 keV from lower and higher T(sub c) devices, respectively, using a standard analysis method based on optimal filtering in the low flux limit. We have now measured the same devices at elevated x-ray fluxes ranging from 50 Hz to 1000 Hz per pixel. In the high flux limit, however, the standard optimal filtering scheme nearly breaks down because of x-ray pile-up. To achieve the highest possible energy resolution for a fixed throughput, we have developed an analysis scheme based on the socalled event grade method. Using the new analysis scheme, we achieved 5.0 eV FWHM with 96 Percent throughput for 6 keV x-rays of 1025 Hz per pixel with the higher T(sub c) (faster) device, and 5.8 eV FWHM with 97 Percent throughput with the lower T(sub c) (slower) device at 722 Hz.

Lee, Sang-Jun↗
NASA NTRS1999

Application of Spaceborne Scatterometer for Mapping Freeze-Thaw State in Northern Landscapes as a Measure of Ecological and Hydrological Processes

Landscape freeze/thaw transitions coincide with marked shifts in albedo, surface energy and mass exchange, and associated snow dynamics. Monitoring landscape freeze/thaw dynamics would improve our ability to quantify the interannual variability of boreal hydrology and river runoff/flood dynamics. The annual duration of frost-free period also bounds the period of photosynthetic activity in boreal and arctic regions thus affecting the annual carbon budget and the interannual variability of regional carbon fluxes. In this study, we use the NASA scatterometer (NSCAT) to monitor the temporal change in the radar backscatter signature across selected ecoregions of the boreal zone. We have measured vegetation tissue temperatures, soil temperature profiles, and micrometeorological parameters in situ at selected sites along a north-south transect extending across Alaska from Prudhoe Bay to the Kenai Peninsula and in Siberia near the Yenisey River. Data from these stations have been used to quantify the scatterometer's sensitivity to freeze/thaw state under a variety of terrain and landcover conditions. Analysis of the NSCAT temporal response over the 1997 spring thaw cycle shows a 3 to 5 dB change in measured backscatter that is well correlated with the landscape springtime thaw process. Having verified the instrument's capability to monitor freeze/thaw transitions, regional scale mosaicked data are applied to derive temporal series of freeze/thaw transition maps for selected circumpolar high latitude regions. These maps are applied to derive areal extent of frozen and thawed landscape and demonstrate the utility of spaceborne radar for operational monitoring of seasonal freeze-thaw dynamics and associated biophysical processes for the circumpolar high latitudes.

McDonald, Kyle↗
NASA NTRS1991

The V-T energy transfer in collisions of diatomics

A general approach evaluating the transition probabilities for the V-T exchange, involving highly excited levels and the Delta-v greater than 1 transitions, in diatomic gases is presented. Examples of numerical results are given for a number of transitions in nitrogen and oxygen molecules in the ground electronic states. The approach can be used for the V-T exchange involving diatomic molecular ions.

Kunc, Joseph A.↗
NASA NTRS1983

Calculation of high-pressure phase transitions in solid N2 and the pressure dependence of intramolecular mode frequencies

A calculation that minimizes the energy of solid N2 with respect to a rhombohedral distortion of the Pm 3n structure shows that a low-temperature phase transition occurs into the R 3c calcite structure at P = 19.2 kbar with a volume change of 0.125 cu cm/mole. This transition agrees with recent Raman scattering measurements. Another transition from R 3c into R3(bar)m is predicted at P = 67.5 kbar, with a volume change of 0.1 cu cm/mole. The pressure dependence of the intramolecular mode frequencies for the R 3c structure are in reasonably good agreement with the two main branches observed experimentally.

Chandrasekharan, V.↗