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At least 487 records · Page 27

Assembling Phenothiazine into a Porous Coordination Cage to Improve Its Photocatalytic Efficiency for Organic Transformations

Abstract Photo‐catalysis by small‐molecules is often limited by catalyst degradation and low electron‐transfer efficiency. Herein we report a stable N‐phenyl‐phenothiazine (PTH)‐derived porous coordination cage (PCC) as a highly efficient photocatalyst. By the incorporation of the photocatalytic PTH moiety into a PCC, aggregation‐induced quenching (AIQ) was shown to be reduced. An improvement in catalyst stability was discovered, ascribed to the synergistic effects of the PTH moieties. The catalyst, operating through a photolytic single‐electron transfer, was utilized for photo‐catalyzed dehalogenation and borylation. Evaluation of the catalytic mechanism in the borylation reaction showed that the improved performance results from the more efficient formation of the electron donor‐acceptor (EDA) complex with the cage. This discovery provides a potential strategy to improve the photophysical properties and stabilities of small‐molecule organic photocatalysts via supramolecular chemistry.

Chemistry↗

Two-boundary grid generation for the solution of the three dimensional compressible Navier-Stokes equations

A grid generation technique called the two boundary technique is developed and applied for the solution of the three dimensional Navier-Stokes equations. The Navier-Stokes equations are transformed from a cartesian coordinate system to a computational coordinate system, and the grid generation technique provides the Jacobian matrix describing the transformation. The two boundary technique is based on algebraically defining two distinct boundaries of a flow domain and the distribution of the grid is achieved by applying functions to the uniform computational grid which redistribute the computational independent variables and consequently concentrate or disperse the grid points in the physical domain. The Navier-Stokes equations are solved using a MacCormack time-split technique. Grids and supersonic laminar flow solutions are obtained for a family of three dimensional corners and two spike-nosed bodies.

Smith, R. E.↗

A numerical method for three-dimensional incompressible flows using nonorthogonal body-fitted coordinate systems

In the present paper, a numerical method for solving the equations of motion of three-dimensional incompressible flows in nonorthogonal body-fitted coordinate (BEC) systems has been developed and evaluated. The equations of motion are transformed to a generalized curvilinear coordinate system from which the transformed equations are discretized using finite difference approximations in the transformed domain. The hybrid scheme and a central differencing plus artificial dissipation scheme are used to approximate the convection terms in the governing equations. Effects of these two schemes on the accuracy of numerical predictions are studied. Solutions of the finite difference equations are obtained iteratively by using a pressure-velocity correction algorithm, SIMPLE-C. Numerical examples of two- and three-dimensional, laminar and turbulent flow problems are employed to evaluate the accuracy and efficiency of the present numerical method.

Chen, Y. S.↗

Extracting dynamical frequencies from invariants of motion in finite-dimensional nonlinear integrable systems

Integrable dynamical systems play an important role in many areas of science, including accelerator and plasma physics. An integrable dynamical system with n degrees of freedom possesses n nontrivial integrals of motion, and can be solved, in principle, by covering the phase space with one or more charts in which the dynamics can be described using action-angle coordinates. To obtain the frequencies of motion, both the transformation to action-angle coordinates and its inverse must be known in explicit form. However, no general algorithm exists for constructing this transformation explicitly from a set of n known (and generally coupled) integrals of motion. In this study we describe how one can determine the dynamical frequencies of the motion as functions of these n integrals in the absence of explicitly known action-angle variables, and we provide several examples.

43 PARTICLE ACCELERATORS↗

Analysis of impingement heat transfer for two parallel liquid-metal slot jets

An analytical method is developed for determining heat transfer by impinging liquid-metal slot jets. The method involves mapping the jet flow region, which is bounded by free streamlines, into a potential plane where it becomes a uniform flow in a channel of constant width. The energy equation is transformed into potential plane coordinates and is solved in the channel flow region. Conformal mapping is then used to transform the solution back into the physical plane and obtain the desired heat-transfer characteristics. The analysis given here determines the heat-transfer characteristics for two parallel liquid-metal slot jets impinging normally against a uniformly heated flat plate. The liquid-metal assumptions are made that the jets are inviscid and that molecular conduction is dominating heat diffusion. Wall temperature distributions along the heated plate are obtained as a function of spacing between the jets and the jet Peclet number.

Siegel, R.↗

Estimating Relative Positions of Outer-Space Structures

A computer program estimates the relative position and orientation of two structures from measurements, made by use of electronic cameras and laser range finders on one structure, of distances and angular positions of fiducial objects on the other structure. The program was written specifically for use in determining errors in the alignment of large structures deployed in outer space from a space shuttle. The program is based partly on equations for transformations among the various coordinate systems involved in the measurements and on equations that account for errors in the transformation operators. It computes a least-squares estimate of the relative position and orientation. Sequential least-squares estimates, acquired at a measurement rate of 4 Hz, are averaged by passing them through a fourth-order Butterworth filter. The program is executed in a computer aboard the space shuttle, and its position and orientation estimates are displayed to astronauts on a graphical user interface.

Balian, Harry↗

A Lightning Channel Retrieval Algorithm for the North Alabama Lightning Mapping Array (LMA)

A new multi-station VHF time-of-arrival (TOA) antenna network is, at the time of this writing, coming on-line in Northern Alabama. The network, called the Lightning Mapping Array (LMA), employs GPS timing and detects VHF radiation from discrete segments (effectively point emitters) that comprise the channel of lightning strokes within cloud and ground flashes. The network will support on-going ground validation activities of the low Earth orbiting Lightning Imaging Sensor (LIS) satellite developed at NASA Marshall Space Flight Center (MSFC) in Huntsville, Alabama. It will also provide for many interesting and detailed studies of the distribution and evolution of thunderstorms and lightning in the Tennessee Valley, and will offer many interesting comparisons with other meteorological/geophysical wets associated with lightning and thunderstorms. In order to take full advantage of these benefits, it is essential that the LMA channel mapping accuracy (in both space and time) be fully characterized and optimized. In this study, a new revised channel mapping retrieval algorithm is introduced. The algorithm is an extension of earlier work provided in Koshak and Solakiewicz (1996) in the analysis of the NASA Kennedy Space Center (KSC) Lightning Detection and Ranging (LDAR) system. As in the 1996 study, direct algebraic solutions are obtained by inverting a simple linear system of equations, thereby making computer searches through a multi-dimensional parameter domain of a Chi-Squared function unnecessary. However, the new algorithm is developed completely in spherical Earth-centered coordinates (longitude, latitude, altitude), rather than in the (x, y, z) cartesian coordinates employed in the 1996 study. Hence, no mathematical transformations from (x, y, z) into spherical coordinates are required (such transformations involve more numerical error propagation, more computer program coding, and slightly more CPU computing time). The new algorithm also has a more realistic definition of source altitude that accounts for Earth oblateness (this can become important for sources that are hundreds of kilometers away from the network). In addition, the new algorithm is being applied to analyze computer simulated LMA datasets in order to obtain detailed location/time retrieval error maps for sources in and around the LMA network. These maps will provide a more comprehensive analysis of retrieval errors for LMA than the 1996 study did of LDAR retrieval errors. Finally, we note that the new algorithm can be applied to LDAR, and essentially any other multi-station TWA network that depends on direct line-of-site antenna excitation.

Koshak, William↗

Astrometry of Single-Chord Occultations: Application to the 1993 Triton Event

This paper outlines a method for reducing astrometric data to derive the closest approach time and distance to the center of an occultation shadow for a single observer. The method applies to CCD frames, strip scans or photographic plates and uses a set of field stars of unknown positions to define a common coordinate system for all frames. The motion of the occulting body is used to establish the transformation between this common coordinate system and the celestial coordinate system of the body's ephemeris. This method is demonstrated by application to the Tr6O occultation by Triton on 1993 July 10 UT. Over an interval of four nights that included the occultation time, 80 frames of Triton and Tr6O were taken near the meridian with the U.S. Naval Observatory (USNO) 61-inch astrometric reflector. Application of the method presented here to these data yields a closest approach distance of 359 +/- 133 km (corresponding to 0.017 +/- 0.006 arcsec) for the occultation chord obtained with the Kuiper Airborne Observatory (KAO). Comparison of the astrometric closest approach time with the KAO light-curve midtime shows a difference of 2.2 +/- 4.1 s. Relative photometry of Triton and Tr6O, needed for photometric calibration of the occultation light curve, is also presented.

Olkin, Catherine B.↗

Utilizing Single-Crystalline Transformations for Precise Atom Placement in Multicomponent Cluster-Based Coordination Networks

The assembly of cluster or superatom building-blocks into extended solids has revolutionized materials design, enabling the synthesis of modular semiconductors with well-defined structures and tunable electronic, magnetic or optical properties. This strategy has recently advanced the synthesis of complex metal oxides with multifunctional or emergent behaviors, but precise atom placement of multiple elements with similar chemistries or preferred coordination environments remains a significant challenge. Here, in this study, we present a strategy for synthesizing polyoxometalate (POM)-based coordination networks with up to three different cations in precisely defined positions. Our approach leverages a single-crystal-to-single-crystal (SCSC) transformation in which the spatial placement of cations is governed by their availability at distinct stages of crystallization and transformation. Specifically, [ZP 5 W 30 O 110 ] (15-n)- (Z = Na + , K + , Ca 2+ , Ag + , Bi 3+ , Y 3+ , any Ln 3+ , Th 4+ ) is coordinatively assembled with various bridging metal cations (Y 3+ , any Ln 3+ , Th 4+ ). By using the encapsulated cation (Z) to "label" the POM, we track the phase-transformation and confirm the retention of single crystallinity. The integrated use of POM labeling and SCSC transformation enables rational control over cation distribution and establishes a versatile strategy for constructing multicomponent materials with high compositional and spatial precision.

Chen, Linfeng [Univ. of California, San Diego, CA ↗

Estimating Aeroheating of a 3D Body Using a 2D Flow Solver

A method for rapidly estimating the aeroheating, shear stress, and other properties of hypersonic flow about a three-dimensional (3D) blunt body has been devised. First, the geometry of the body is specified in Cartesian coordinates. The surface of the body is then described by its derivatives, coordinates, and principal curvatures. Next, previously relatively simple equations are used to find, for each desired combination of angle of attack and meridional angle, a scaling factor and the shape of an equivalent axisymmetric body. These factors and equivalent shapes are entered as inputs into a previously developed computer program that solves the two-dimensional (2D) equations of flow in a non-equilibrium viscous shock layer (VSL) about an axisymmetric body. The coordinates in the output of the VSL code are transformed back to the Cartesian coordinates of the 3D body, so that computed flow quantities can be registered with locations in the 3D flow field of interest. In tests in which the 3D bodies were elliptic paraboloids, the estimates obtained by use of this method were found to agree well with solutions of 3D, finite-rate-chemistry, thin-VSL equations for a catalytic body.

Scott, Carl D.↗

Documentation of program AFTBDY to generate coordinate system for 3D after body using body fitted curvilinear coordinates, part 1

The computer program AFTBDY generates a body fitted curvilinear coordinate system for a wedge curved after body. This wedge curved after body is being used in an experimental program. The coordinate system generated by AFTBDY is used to solve 3D compressible N.S. equations. The coordinate system in the physical plane is a cartesian x,y,z system, whereas, in the transformed plane a rectangular xi, eta, zeta system is used. The coordinate system generated is such that in the transformed plane coordinate spacing in the xi, eta, zeta direction is constant and equal to unity. The physical plane coordinate lines in the different regions are clustered heavily or sparsely depending on the regions where physical quantities to be solved for by the N.S. equations have high or low gradients. The coordinate distribution in the physical plane is such that x stays constant in eta and zeta direction, whereas, z stays constant in xi and eta direction. The desired distribution in x and z is input to the program. Consequently, only the y-coordinate is solved for by the program AFTBDY.

Kumar, D.↗

Smithsonian Astrophysical Observatory Reference System Bulletin, no. 1

The reference system is described which involves timing, scale, coordinate systems and their transformations, and observations of the rotation of the earth. Timing (epochs) and STADAT timing corrections are discussed. The coordinates for locations, and MSL height are listed for each observing station.

Source record↗

NASA Enterprise Digital Transformation Initiative Strategic Framework & Implementation Approach

Since 1958, NASA has delivered its enduring bold purpose, characterized in the 2022 NASA Strategic Plan as a mission to discover, explore, innovate, and advance solutions to the problems of flight, within and outside the Earth’s atmosphere, for the benefit of humankind. The NASA Strategic Plan also recognizes that this mission will be delivered differently as it looks to a future marked by radical global change, which is in part being driven by digital advances. For this reason, in late 2020 NASA established an Enterprise Digital Transformation (DT) agency-level strategic initiative to accelerate and coordinate leveraging digital advances to transform the way the Agency works, the experience of its workforce and the agility of its workplace. This paper documents NASA’s DT strategic framework and associated implementation approach, with the DT strategic initiative serving to ignite, connect, integrate, and facilitate DT progress across a federated organizational operating model.

digital transformation↗

Transforming Vectors Measured By Noncoaligned Instruments

Method for computing relationships between coordinate axes of two vector-measuring instruments not aligned with each other, one need only measure two nonparallel vectors u and v simultaneously in both coordinate systems. These measurements provide all data needed to compute transformation of any vector from one coordinate system to other. Particularly useful in computing alignments and transformations between accelerometers, gyroscopes, and instruments mounted on platforms subjected to vibrations, thermal strains, and other distortions causing alignments to vary unpredictably with time.

Ritter, James R.↗

A feasibility study of hand kinematics for EVA analysis using magnetic resonance imaging

A new method of analyzing the kinematics of joint motion is developed. Magnetic Resonance Imaging (MRI) offers several distinct advantages. Past methods of studying anatomic joint motion have usually centered on four approaches. These methods are x-ray projection, goniometric linkage analysis, sonic digitization, and landmark measurement of photogrammetry. Of these four, only x-ray is applicable for in vivo studies. The remaining three methods utilize other types of projections of inter-joint measurements, which can cause various types of error. MRI offers accuracy in measurement due to its tomographic nature (as opposed to projection) without the problems associated with x-ray dosage. Once the data acquisition of MR images was complete, the images were processed using a 3D volume rendering workstation. The metacarpalphalangeal (MCP) joint of the left index finger was selected and reconstructed into a three-dimensional graphic display. From the reconstructed volumetric images, measurements of the angles of movement of the applicable bones were obtained and processed by analyzing the screw motion of the MCP joint. Landmark positions were chosen at distinctive locations of the joint at fixed image threshold intensity levels to ensure repeatability. The primarily two dimensional planar motion of this joint was then studied using a method of constructing coordinate systems using three (or more) points. A transformation matrix based on a world coordinate system described the location and orientation of a local target coordinate system. Future research involving volume rendering of MRI data focusing on the internal kinematics of the hand's individual ligaments, cartilage, tendons, etc. will follow. Its findings will show the applicability of MRI to joint kinematics for gaining further knowledge of the hand-glove (power assisted) design for extravehicular activity (EVA).

Dickenson, Rueben D.↗

A feasibility study of hand kinematics for EVA analysis using magnetic resonance imaging

A new method for analyzing the kinematics of joint motion using magnetic resonance imaging (MRI) is described. The reconstruction of the metacarpalphalangeal joint of the left index finger into a 3D graphic display is shown. From the reconstructed volumetric images, measurements of the angles of movement of the applicable bones are obtained and processed by analyzing the screw motion of the joint. Landmark positions are chosen at distinctive locations of the joint at fixed image threshold intensity levels to ensure repeatability. The primarily 2D planar motion of this joint is then studied using a method of constructing coordinate systems using three or more points. A transformation matrix based on a world coordinate system describes the location and orientation of the local target coordinate system. The findings show the applicability of MRI to joint kinematics for gaining further knowledge of the hand-glove design for EVA.

Dickenson, Reuben D.↗