Search NASA⌕ Search

SEARCH · Search NASA

Results for “Conical Intersections”

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 55 records · Page 3

Spectroscopy of Isolated Prebiotic Nucleobases

We use multiphoton ionization and double resonance spectroscopy to study the excited state dynamics of biologically relevant molecules as well as prebiotic nucleobases, isolated in the gas phase. Molecules that are biologically relevant to life today tend to exhibit short excited state lifetimes compared to similar but non-biologically relevant analogs. The mechanism is internal conversion, which may help protect the biologically active molecules from UV damage. This process is governed by conical intersections that depend very strongly on molecular structure. Therefore we have studied purines and pyrimidines with systematic variations of structure, including substitutions, tautomeric forms, and cluster structures that represent different base pair binding motifs. These structural variations also include possible alternate base pairs that may shed light on prebiotic chemistry. With this in mind we have begun to probe the ultrafast dynamics of molecules that exhibit very short excited states and search for evidence of internal conversions.

Svadlenak, Nathan↗

Composite Piston-Cap Structure

Design eliminates thermal stress between composite cap and metal piston. New, conically surfaced, composite piston-cap structure, passively retained in metallic piston, made from carbon/carbon material, machined to shape. Shape includes conical faces, conical extensions intersect at common vertex on cylindrical axis of piston body, allowing thermal-stress-free retention of cap at all temperatures. When assembly heated or cooled, metal expands or contracts radially from coincident vertex. Where metal makes contact with carbon/carbon cap, snugly fitting conical faces slide without interference. Since metal body free to expand, no thermal stress produced in metal body or carbon/carbon cap.

Taylor, Allan↗

Mechanism of the Non‐Kasha Fluorescence in Pyrene

The high-energy shoulder in the gas-phase fluorescence emission spectrum of pyrene is a well-known example of non-Kasha emission. Here, we comparatively assess two approaches, vibronic perturbation theory and nonadiabatic dynamics, in their ability to predict and explain the gas-phase fluorescence spectrum of pyrene. While both methods qualitatively capture the non-Kasha emission, they differ in their computational requirements, accuracy, and physical interpretation. Vibronic perturbation theory and nonadiabatic dynamics are complementary and can be combined in a two-step approach to non-Kasha fluorescence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

The dynamics of the dimethyl methylphosphonate (DMMP) radical cation after production by strong field adiabatic ionization have been investigated. Pump-probe experiments using strong field 1300 nm pulses to adiabatically ionize DMMP and a 800 nm non-ionizing probe induce coherent oscillations of the parent ion yield with a period of about 45 fs. The yields of two fragments, PO 2 C 2 H 7 + and PO 2 CH 4 + , oscillate approximately out of phase with the parent ion, but with a slight phase shift relative to each other. We use electronic structure theory and nonadiabatic surface hopping dynamics to understand the underlying dynamics. The results show that while the cation oscillates on the ground state along the P=O bond stretch coordinate, the probe excites population to higher electronic states that can lead to fragments PO 2 C 2 H 7 + and PO 2 CH 4 + . The computational results combined with the experimental observations indicate that the two conformers of DMMP that are populated under experimental conditions exhibit different dynamics after being excited to the higher electronic states of the cation leading to different dissociation products. These results highlight the potential usefulness of these pump-probe measurements as a tool to study conformer-specific dynamics in molecules of biological interest.

59 BASIC BIOLOGICAL SCIENCES↗

Holographic flow visualization within a rotating compressor blade row

Rapid double-pulsed holographic techniques were used to visualize the shock configurations in the tip region of a lightly loaded, high tip speed fan stage. The holograms showed the passage shock emanating from the blade leading edge, a moderately strong conical shock originating at the intersection of the part span shroud leading edge and the blade suction surface, and a second conical shock originating at the intersection of the part span shroud and the blade pressure surface. Due to a limited viewing angle, the bow waves upstream of the rotor could not be observed, and only limited details of the trailing edge shocks were obtained. Reasonable details of the shock patterns were obtained from holograms which were made without extensive rig modifications. Results indicate that larger viewing windows and and holographic plates would permit a wider viewing angle and give much more coverage of the regions of interest. Also, shorter time delay for double-pulsed holograms is also desirable, and would minimize blade movement and give clearer holograms.

Benser, W. A.↗

Holographic studies of shock waves within transonic fan rotors

Pulsed laser holographic interferometry has been applied to the detection of shock patterns in the outer span regions of high tip speed transonic rotors. The first holographic approach used ruby laser light reflected from a portion of the centerbody just ahead of the rotor. These holograms showed the bow wave patterns upstream of the rotor and the shock patterns just inside the blade row near the tip. Much of the region of interest was in the shadow of the blade leading edge and could not be visualized. The second holographic approach, on a different rotor, used light transmitted diagonally across the inlet annulus past the centerbody. This approach gave a more extensive view of the region bounded by the blade leading and trailing edges, by the part span shroud and by the blade tip. These holograms showed the passage shock emanating from the blade leading edge and a moderately strong conical shock originating at the intersection of the part span shroud leading edge and the blade suction surface. Reasonable details of the shock patterns were obtained from holograms which were made without extensive rig modifications.

Benser, W. A.↗

Holographic studies of shock waves within transonic fan rotors

NASA has funded two separate contracts to apply pulsed laser holographic interferometry to the detection of shock patterns in the outer span regions of high tip speed transonic rotors. The first holographic approach used ruby laser light reflected from a portion of the centerbody just ahead of the rotor. These holograms showed the bow wave patterns upstream of the rotor and the shock patterns just inside the blade row near the tip. The second holographic approach, on a different rotor, used light transmitted diagonally across the inlet annulus past the centerbody. This approach gave a more extensive view of the region bounded by the blade leading and trailing edges, by the part span shroud and by the blade tip. These holograms showed the passage shock emanating from the blade leading edge and a moderately strong conical shock originating at the intersection of the part span shroud leading edge and the blade suction surface.

Benser, W. A.↗

Some important geometrical features of conic-section-generated offset reflector antennas

Geometrical characteristics of conic-section-generated offset reflectors are studied in a unified fashion. Some unique geometrical features of the reflector rim constructed from the intersection of the reflector surface and a cone or cylinder are explored in detail. It is found that the intersection curve (rim) of the rotationally generated conic-section reflector surface and a circular cone with its tip at the focal point is always a planar curve and has a circular projection on the focal plane only for the offset parabolic reflector. Furthermore, in this case, the line going through the center of the circle, parallel to the focal axis, and the central axis of the cone do not intersect the reflector surface at the same point. Numerical results are presented to demonstrate some unique features of offset parabolic reflectors.

Jamnejad-Dailami, V.↗

Adaptive mesh solution for supersonic conical flow in a rectilinear inlet

Solutions for the inviscid and viscous supersonic conical flow in a complete rectilinear inlet consisting of four planes intersecting at arbitrary wedge and sweep angles are obtained. To compute the flow on a specially constructed mesh, a three-dimensional flow solver ARC3D is used. It is shown that a single-pass mesh re-adaptation procedure can be used to obtain improved shock capture without the necessity of modifying the flow code, provided that the flow solver works in curvilinear coordinates and is restartable. Results computed by the method show good agreement with experimental measurements and previous calculations.

Kerlick, G. D.↗

Comparison of numerical and experimental 'conical' flow fields in supersonic corners with compression and/or expansion

The flow field produced by the intersection of two plane solid surfaces in a supersonic stream is a complex interference flow. These flows can be fully compressive, fully expansive, or of mixed compression-expansion nature. This paper presents a comparison of the experimentally obtained flow-field structure in an axial corner with that predicted numerically by using a shock-capturing finite-difference method. The effect of sweep and surface deflection are evaluated, and the general influence of each is presented for the three classes of corner flow. The results show that the numerical method is a valuable aid in understanding the flow structure for simple configurations. In addition, confidence in the numerical method is gained for use in solving more general three-dimensional configurations where the flow is nonconical and several wave interaction may be presented.

Anderson, D. A.↗

Quasiconical free interaction between a swept shock and a turbulent boundary layer

Previous observations that fin-generated interactions are quasi-conical in nature were further confirmed by surface pressure measurements spanning Mach 2.5-3.5, which encompassed unseparated through strongly separated interactions. For strongly separated interactions in which the shock wave is bifurcated into a lambda-foot structure, the conical free interaction hypothesis was validated through an appropriate scaling of the far-field surface pressure distribution. The behavior of the lambda-foot structure, such as the decrease of the slope of the separation shock with interaction strength, was explained by invoking the conical free interaction hypothesis. Through the conical free interaction hypothesis, it was further shown that the triple-shock intersection behaves in a complicated manner with changes in interaction strength.

Lu, Frank K.↗

Center of mass estimation in closed vortices - A verification in principle and practice

The problem of tracking closed mesoscale vortices using center of mass estimation techniques is studied. Three estimators are evaluated using data from a warm core Gulf Stream ring. The comparisons show that a method based on the intersection of perpendicular bisectors and one using a least-squares fit of a conic section perform comparably. The perpendicular bisector algorithm is used in conjunction with a Gaussian ring model and a star-shaped survey pattern to produce an expected error curve as a function of vortex translation, survey speed and vortex size. For typical ring parameters, center estimation is usually possible to within + or - 5 km. The feasibility of using differing data sets to construct a history of ring motion based on a coordinate system moving with the ring is also investigated. In this way, the validity of using satellite-derived data and drifter trajectories to estimate the center of mass of a mesoscale feature is assessed. The results of the analysis demonstrate that the location of the deeper structure of the ring and the surface expression are sufficiently well correlated to permit dynamically relevant calculations based on surface measurements. It is shown that satellite-derived data can be used to approximate the center of mass trajectory to within the error in the individual center estimates for the period analyzed. The Lagrangian-drifter-derived centers are offset from the center of mass trajectory in a manner consistent with kinematic arguments.

Hooker, S. B.↗

Ground and Space Radar Volume Matching and Comparison Software

This software enables easy comparison of ground- and space-based radar observations. The software was initially designed to compare ground radar reflectivity from operational, ground based Sand C-band meteorological radars with comparable measurements from the Tropical Rainfall Measuring Mission (TRMM) satellite s Precipitation Radar (PR) instrument. The software is also applicable to other ground-based and space-based radars. The ground and space radar volume matching and comparison software was developed in response to requirements defined by the Ground Validation System (GVS) of Goddard s Global Precipitation Mission (GPM) project. This software innovation is specifically concerned with simplifying the comparison of ground- and spacebased radar measurements for the purpose of GPM algorithm and data product validation. This software is unique in that it provides an operational environment to routinely create comparison products, and uses a direct geometric approach to derive common volumes of space- and ground-based radar data. In this approach, spatially coincident volumes are defined by the intersection of individual space-based Precipitation Radar rays with the each of the conical elevation sweeps of the ground radar. Thus, the resampled volume elements of the space and ground radar reflectivity can be directly compared to one another.

Morris, Kenneth↗

Internal and external axial corner flows

The inviscid, internal, and external axial corner flows generated by two intersecting wedges traveling supersonically are obtained by use of a second-order shock-capturing, finite-difference approach. The governing equations are solved iteratively in conical coordinates to yield the complicated wave structure of the internal corner and the simple peripheral shock of the external corner. The numerical results for the internal flows compare favorably with existing experimental data.

Kutler, P.↗

Numerical solution for the inviscid supersonic flow in the corner formed by two intersecting wedges.

The inviscid, interference corner flow generated by two intersecting wedges immersed in a supersonic stream is obtained by use of a second-order, shock-capturing, finite-difference approach. The governing equations are solved iteratively in conical coordinates to yield the flow structure consisting of multiple shock and slip surfaces. The numerical results for shock wave and slip surface position and structure, pitot pressure traverses, and surface pressure distributions are compared with experimental data obtained over a wide range of Reynolds numbers. The comparisons show the best agreement with the high Reynolds number (greater than 3,000,000) results for which the boundary layer is turbulent.

Kutler, P.↗

Flow-field surveys on the windward side of the NASA 040A space shuttle orbiter at 31 deg angle of attack and Mach 20 in helium

Pitot pressure and flow angle distributions in the windward flow field of the NASA 040A space shuttle orbiter configuration and surface pressures were measured, at a Mach number of 20 and an angle of attack of 31 deg. The free stream Reynolds number, based on model length, was 5.39 x 10 to the 6th power. Results show that cores of high pitot pressure, which are related to the body-shock-wing-shock intersections, occur on the windward plane of symmetry in the vicinity of the wing-body junction and near midspan on the wing. Theoretical estimates of the flow field pitot pressures show that conical flow values for the windward plane of symmetry surface are representative of the average level over the entire lower surface.

Ashby, G. C., Jr.↗

Apparatus for adapting an end effector device remotely controlled manipulator arm

Apparatus for adapting a general purpose and effector device to a special purpose and effector is disclosed which includes an adapter bracket assembly which provides a mechanical and electrical interface between the end effector devices. The adapter bracket assembly includes an adapter connector post which interlocks with a diamond shaped gripping channel formed in closed jaws of the general purpose end effector. The angularly intersecting surfaces of the connector post and gripping channel prevent any relative movement there between. Containment webs constrain the outer finger plates of the general purpose jaws to prevent pitch motion. Electrical interface is provided by conical, self aligning electrical connector components carried by respective ones of said end effectors.

Clark, K. H.↗

Conical-Domain Model for Estimating GPS Ionospheric Delays

The conical-domain model is a computational model, now undergoing development, for estimating ionospheric delays of Global Positioning System (GPS) signals. Relative to the standard ionospheric delay model described below, the conical-domain model offers improved accuracy. In the absence of selective availability, the ionosphere is the largest source of error for single-frequency users of GPS. Because ionospheric signal delays contribute to errors in GPS position and time measurements, satellite-based augmentation systems (SBASs) have been designed to estimate these delays and broadcast corrections. Several national and international SBASs are currently in various stages of development to enhance the integrity and accuracy of GPS measurements for airline navigation. In the Wide Area Augmentation System (WAAS) of the United States, slant ionospheric delay errors and confidence bounds are derived from estimates of vertical ionospheric delay modeled on a grid at regularly spaced intervals of latitude and longitude. The estimate of vertical delay at each ionospheric grid point (IGP) is calculated from a planar fit of neighboring slant delay measurements, projected to vertical using a standard, thin-shell model of the ionosphere. Interpolation on the WAAS grid enables estimation of the vertical delay at the ionospheric pierce point (IPP) corresponding to any arbitrary measurement of a user. (The IPP of a given user s measurement is the point where the GPS signal ray path intersects a reference ionospheric height.) The product of the interpolated value and the user s thin-shell obliquity factor provides an estimate of the user s ionospheric slant delay. Two types of error that restrict the accuracy of the thin-shell model are absent in the conical domain model: (1) error due to the implicit assumption that the electron density is independent of the azimuthal angle at the IPP and (2) error arising from the slant-to-vertical conversion. At low latitudes or at mid-latitudes under disturbed conditions, the accuracy of SBAS systems based upon the thin-shell model suffers due to the presence of complex ionospheric structure, high delay values, and large electron density gradients. Interpolation on the vertical delay grid serves as an additional source of delay error. The conical-domain model permits direct computation of the user s slant delay estimate without the intervening use of a vertical delay grid. The key is to restrict each fit of GPS measurements to a spatial domain encompassing signals from only one satellite. The conical domain model is so named because each fit involves a group of GPS receivers that all receive signals from the same GPS satellite (see figure); the receiver and satellite positions define a cone, the satellite position being the vertex. A user within a given cone evaluates the delay to the satellite directly, using (1) the IPP coordinates of the line of sight to the satellite and (2) broadcast fit parameters associated with the cone. The conical-domain model partly resembles the thin-shell model in that both models reduce an inherently four-dimensional problem to two dimensions. However, unlike the thin-shell model, the conical domain model does not involve any potentially erroneous simplifying assumptions about the structure of the ionosphere. In the conical domain model, the initially four-dimensional problem becomes truly two-dimensional in the sense that once a satellite location has been specified, any signal path emanating from a satellite can be identified by only two coordinates; for example, the IPP coordinates. As a consequence, a user s slant-delay estimate converges to the correct value in the limit that the receivers converge to the user s location (or, equivalently, in the limit that the measurement IPPs converge to the user s IPP).

Sparks, Lawrence↗