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At least 1,405 records · Page 78

Contrasting behaviour under pressure reveals the reasons for pyramidalization in tris(amido)uranium(III) and tris(arylthiolate) uranium(III) molecules

A range of reasons has been suggested for why many low-coordinate complexes across the periodic table exhibit a geometry that is bent, rather a higher symmetry that would best separate the ligands. The dominating reason or reasons are still debated. Here we show that two pyramidal UX3 molecules, in which X is a bulky anionic ligand, show opposite behaviour upon pressurisation in the solid state. UN" 3 (UN3, N" = N(SiMe 3 ) 2 ) increases in pyramidalization between ambient pressure and 4.08 GPa, while U(SAr) 3 (US3, SAr = S-C 6 H 2 - t Bu 3 –2,4,6) undergoes pressure-induced planarization. This capacity for planarization enables the use of X-ray structural and computational analyses to explore the four hypotheses normally put forward for this pyramidalization. The pyramidality of UN3, which increases with pressure, is favoured by increased dipole and reduction in molecular volume, the two factors outweighing the slight increase in metal-ligand agostic interactions that would be formed if it was planar. The ambient pressure pyramidal geometry of US3 is favoured by the induced dipole moment and agostic bond formation but these are weaker drivers than in UN3; the pressure-induced planarization of US3 is promoted by the lower molecular volume of US3 when it is planar compared to when it is pyramidal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct observation of ion micromotion in a linear Paul trap

In this paper, the first direct observation of micromotion for multiple ions in a laser-cooled trapped ion crystal is discussed along with a novel measurement technique for micromotion amplitude. Micromotion is directly observed using a time-resolving, single-photon sensitive camera that provides both fluorescence and position data for each ion on the nanosecond time scale. Micromotion amplitude and phase for each ion in the crystal is measured which allows this method to be sensitive to tilts and shifts of the ion chain from the null of the radiofrequency quadrupole potential in the linear trap. Spatial resolution makes this micromotion detection technique suitable for complex ion configurations, including two-dimensional geometries. It does not require any additional equipment or laser beams, and the modulation of the cooling lasers or trap voltages is not necessary for detection, as it is in other methods.

74 ATOMIC AND MOLECULAR PHYSICS↗

Magnetic Field Strength Effects on Nucleosynthesis from Neutron Star Merger Outflows

Abstract Magnetohydrodynamic turbulence drives the central engine of post-merger remnants, potentially powering both a nucleosynthetically active disk wind and the relativistic jet behind a short gamma-ray burst. We explore the impact of the magnetic field on this engine by simulating three post-merger black hole accretion disks using general relativistic magnetohydrodynamics with Monte Carlo neutrino transport, in each case varying the initial magnetic field strength. We find increasing ejecta masses associated with increasing magnetic field strength. We find that a fairly robust main r -process pattern is produced in all three cases, scaled by the ejected mass. Changing the initial magnetic field strength has a considerable effect on the geometry of the outflow and hints at complex central engine dynamics influencing lanthanide outflows. We find that actinide production is especially sensitive to magnetic field strength, with the overall actinide mass fraction calculated at 1 Gyr post-merger increasing by more than a factor of 6 with a tenfold increase in magnetic field strength. This hints at a possible connection to the variability in actinide enhancements exhibited by metal-poor, r -process-enhanced stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Elastic distortion of flanged inner ring of high-speed cylindrical roller bearing

The elastic distortion of the inner ring of an experimental roller bearing is investigated analytically. The geometry of the experimental bearing is unusually complex, and for this reason a bearing with an axially symmetric inner ring is also analyzed. Only the inner ring and shaft are considered using a two dimensional finite element program that can accommodate interference between these components. The results suggest that the elastic distortions are modest in relation to the design clearances associated with the experimental bearing. The variation of the radial deflection of the raceway may, however, be significant in some circumstances.

Taylor, C. M.↗

Aerodynamic analysis of three advanced configurations using the TranAir full-potential code

Computational results are presented for three advanced configurations: the F-16A with wing tip missiles and under wing fuel tanks, the Oblique Wing Research Aircraft, and an Advanced Turboprop research model. These results were generated by the latest version of the TranAir full potential code, which solves for transonic flow over complex configurations. TranAir embeds a surface paneled geometry definition in a uniform rectangular flow field grid, thus avoiding the use of surface conforming grids, and decoupling the grid generation process from the definition of the configuration. The new version of the code locally refines the uniform grid near the surface of the geometry, based on local panel size and/or user input. This method distributes the flow field grid points much more efficiently than the previous version of the code, which solved for a grid that was uniform everywhere in the flow field. TranAir results are presented for the three configurations and are compared with wind tunnel data.

Madson, M. D.↗

Improving transient analysis technology for aircraft structures

Aircraft dynamic analyses are demanding of computer simulation capabilities. The modeling complexities of semi-monocoque construction, irregular geometry, high-performance materials, and high-accuracy analysis are present. At issue are the safety of the passengers and the integrity of the structure for a wide variety of flight-operating and emergency conditions. The technology which supports engineering of aircraft structures using computer simulation is examined. Available computer support is briefly described and improvement of accuracy and efficiency are recommended. Improved accuracy of simulation will lead to a more economical structure. Improved efficiency will result in lowering development time and expense.

Melosh, R. J.↗

Three-dimensional viscous flow computations of high area ratio nozzles for hypersonic propulsion

The PARC3D code was selected by the authors to analyze a variety of complex and high-speed flow configurations. Geometries considered for code validation include ramps and corner flows, which are characteristic of inlets and nozzles. Flows with Mach numbers of 3-14 were studied. Both two- and three-dimensional experimental data for shock-boundary-layer interaction were considered to validate the code. A detailed comparison of various flow parameters with available experimental data is presented; agreement between the solutions and the experimental data in terms of pitot pressure profiles, yaw-angle distributions, static pressures, and skin friction is found to be very good. In addition, two- and three-dimensional flow calculations were performed for a hypersonic nozzle. Comparison of the wall pressure results with the published solutions is made for the two-dimensional case.

Reddy, D. R.↗

Diode-pumped laser altimeter

TEM(sub 00)-mode output energies up to 22.5 mJ with 23 percent slope efficiencies were generated at 1.064 microns in a diode-laser pumped Nd:YAG laser using a transverse-pumping geometry. 1.32-micron performance was equally impressive at 10.2 mJ output energy with 15 percent slope efficiency. The same pumping geometry was successfully carried forward to several complex Q-switched laser resonator designs with no noticeable degradation of beam quality. Output beam profiles were consistently shown to have greater than 90 percent correlation with the ideal TEM(sub 00)-order Gaussian profile. A comparison study on pulse-reflection-mode (PRM), pulse-transmission-mode (PTM), and passive Q-switching techniques was undertaken. The PRM Q-switched laser generated 8.3 mJ pulses with durations as short as 10 ns. The PTM Q-switch laser generated 5 mJ pulses with durations as short as 5 ns. The passively Q-switched laser generated 5 mJ pulses with durations as short as 2.4 ns. Frequency doubling of both 1.064 microns and 1.32 microns with conversion efficiencies of 56 percent in lithium triborate and 10 percent in rubidium titanyl arsenate, respectively, was shown. Sum-frequency generation of the 1.064 microns and 1.32 microns radiations was demonstrated in KTP to generate 1.1 mJ of 0.589 micron output with 11.5 percent conversion efficiency.

Welford, D.↗

NDE of Space Shuttle Solid Rocket Motor field joint

One of the most critical areas for inspection in the Space Shuttle Solid Rocket Motors is the bond between the steel case and rubber insulation in the region of the field joints. The tang-and-clevis geometry of the field joints is sufficiently complex to prohibit the use of resonance-based techniques. One approach we are investigating is to interrogate the steel-insulation bondline in the tang and clevis regions using surface-travelling waves. A low-frequency contact surface wave transmitting array transducer is under development at our laboratory for this purpose. The array is placed in acoustic contact with the steel and surface waves are launched on the inside surface or the clevis leg which propagate along the steel-insulation interface. As these surface waves propagate along the bonded surface, the magnitude of the ultrasonic energy leaking into the steel is monitored on the outer surface of the case. Our working hypothesis is that the magnitude of energy received at the outer surface of the case is dependent upon the integrity of the case-insulation bond, with less attenuation for propagation along a disbond due to imperfect acoustic coupling between the steel and rubber. Measurements on test specimens indicate a linear relationship between received signal amplitude and the length of good bend between the transmitter and receiver, suggesting the validity of this working hypothesis.

Patrick H. Johnston↗

Synthesis,and structural characterization of [(CH3(C5H4N))Ga(SCH2(CO)O)]-[(4-MepyH)]+, a novel Ga(III) five coordinate complex.

The synthesis and structural characterization of a novel ionic Ga(III) five coordinate complex [{CH3(C5H4N)}Ga(SCH2(CO)O)2]-[(4-MepyH)]+, (4-Mepy = CH3(C5H5N)) from the reaction between Ga2Cl4 with sodium mercapto-acetic acid in 4-methylpyridine is described. Under basic reaction conditions the mercapto ligand is found to behave as a 2e- bidentate ligand. Single crystal X-ray diffraction studies show the complex to have a distorted square pyramidal geometry with the [(-SCH2(CO)CO-)] ligands in a trans conformation. The compound crystallizes in the P2(sub 1)/c (No. 14) space group with a = 7.7413(6) A, b = 16.744(2) A, c = 14.459(2) A, V = 1987.1(6) A(sup 3), R(F) = 0.032 and R(sub w) = 0.038.

Banger, Kulbinder K.↗

Anomolous Fatigue Crack Growth Phenomena in High-Strength Steel

The growth of a fatigue crack through a material is the result of a complex interaction between the applied loading, component geometry, three-dimensional constraint, load history, environment, material microstructure and several other factors. Previous studies have developed experimental and computational methods to relate the fatigue crack growth rate to many of the above conditions, with the intent of discovering some fundamental material response, i.e. crack growth rate as a function of something. Currently, the technical community uses the stress intensity factor solution as a simplistic means to relate fatigue crack growth rate to loading, geometry and all other variables. The stress intensity factor solution is a very simple linear-elastic representation of the continuum mechanics portion of crack growth. In this paper, the authors present fatigue crack growth rate data for two different high strength steel alloys generated using standard methods. The steels exhibit behaviour that appears unexplainable, compared to an aluminium alloy presented as a baseline for comparison, using the stress intensity factor solution.

Forth, Scott C.↗

Summary of the Tandem Cylinder Solutions from the Benchmark Problems for Airframe Noise Computations-I Workshop

Fifteen submissions in the tandem cylinders category of the First Workshop on Benchmark problems for Airframe Noise Computations are summarized. Although the geometry is relatively simple, the problem involves complex physics. Researchers employed various block-structured, overset, unstructured and embedded Cartesian grid techniques and considerable computational resources to simulate the flow. The solutions are compared against each other and experimental data from 2 facilities. Overall, the simulations captured the gross features of the flow, but resolving all the details which would be necessary to compute the noise remains challenging. In particular, how to best simulate the effects of the experimental transition strip, and the associated high Reynolds number effects, was unclear. Furthermore, capturing the spanwise variation proved difficult.

Lockard, David P.↗

An Upgrade of the Aeroheating Software ''MINIVER''

Detailed computational modeling: CFO often used to create and execute computational domains. Increasing complexity when moving from 20 to 30 geometries. Computational time increased as finer grids are used (accuracy). Strong tool, but takes time to set up and run. MINIVER: Uses theoretical and empirical correlations. Orders of magnitude faster to set up and run. Not as accurate as CFO, but gives reasonable estimations. MINIVER's Drawbacks: Rigid command-line interface. Lackluster, unorganized documentation. No central control; multiple versions exist and have diverged.

Louderback, Pierce↗

Shape Effect Analysis of Aluminum Projectile Impact on Whipple Shields

The informed design with respect to hypervelocity collisions involving micrometeoroid and orbital debris (MMOD) is influential to the success of space missions. For an orbit comparable to that of the International Space Station, velocities for MMOD can range from 1 to 15 km/s, with an average velocity around 10 km/cu s. The high energy released during collisions at these speeds can result in damage to a spacecraft, or worst-case, loss of the spacecraft, thus outlining the importance of methods to predict the likelihood and extent of damage due to an impact. Through experimental testing and numerical simulations, substantial work has been conducted to better understand the effects of hypervelocity impacts (HVI) on spacecraft systems and shields; however, much of the work has been focused on spherical impacting particles. To improve environment models for the analysis of MMOD, a large-scale satellite break-up test was performed at the Arnold Engineering and Development Complex to better understand the varied impactor geometries that could be generated from a large impact. As a part of the post-experiment analysis, an undertaking to characterize the irregular fragments generated is currently being performed by the University of Florida under the management of NASA's Orbital Debris Program Office at Johnson Space Center (JSC). DebriSat was a representative, modern LEO satellite that was catastrophically broken up in a HVI test. The test chamber was lined with a soft-catch system of foam panels that captured the fragments after impact. Initial predictions put the number of fragments larger than 2mm generated from the HVI at roughly 85,000. The number of fragments thus far extracted from the foam panels has exceeded 100,000, with that number continuously increasing. The shapes of the fragments vary dependent upon the material. Carbon-fiber reinforced polymer pieces, for instance, are abundantly found as thin, flat slivers. The characterization of these fragments with respect to their mass, size, and material composition needs to be summarized in a form that can be used in MMOD analysis. The mechanism that brings these fragment traits into MMOD analysis is through ballistic limit equations (BLE) that have been developed largely for a few types of materials1. As a BLE provides the failure threshold for a shield or spacecraft component based on parameters such as the projectile impact velocity and size, and the target's materials, thickness, and configuration, it is used to design protective shields for spacecraft such as Whipple shields (WS) to an acceptable risk level. The majority of experiments and simulations to test shields and validate BLEs have, heretofore, largely used spheres as the impactor, not properly reflecting the irregular shapes of MMOD. This shortfall has motivated a numerical impact analysis study of HVI involving non-spherical geometries to identify key parameters that environment models should provide.

Carrasquilla, Maria J.↗

Extreme Case of Spectral Band Difference Correction Between the OSIRIS-REX-NAVCAM2 and DSCOVR-EPIC Imagers

Earth-viewed images acquired during a recent asteroid intercept mission present a unique opportunity for radiometric calibration of visible imagers onboard a space exploration probe. Measurements from the CERES consistent DSCOVR-EPIC imager act as a reference in providing spatially, temporally, and angularly matched radiance values for deriving OSIRIS-REx-NavCam sensor calibration gains. The calibration is accomplished using an optimized all-sky tropical ocean ray-matching technique, which employs complex pixel remapping, navigation correction, and angular geometry consideration. Of critical consideration in this specific inter-calibration event is the extreme difference in spectral response function (SRF) width between the NavCam and EPIC imagers, which could cause a rather large bias. The NASA-LaRC SCIAMACHY based online spectral band adjustment factor (SBAF) calculation tool provides an empirical solution to such potential spectral-difference-induced biases through a high spectral- resolution hyper spectral convolution approach. The adjustments produced from this tool can effectively reduce the calibration gain bias of NavCam2 by nearly 6%, thereby adjusting the NavCam2 sensor to within 3.2% of its prelaunch calibration. These results highlight the capability of the SBAF tool to account for exceptionally disparate SRFs.

Scarino, Benjamin↗

MSFC-TVC | TB-03: Derivation of Thrust Vector Control (TVC) Actuator-Force / Gimbal-Torque Transformation Matrix

Thrust vector control (TVC) systems for rocket engine propulsion traditionally use a simple linear relationship to convert between actuator forces and torques about the engine gimbal’s center-of-rotation (COR). As shown in Equation (1), the torque about the gimbal COR is proportional to the applied actuator force and the TVC moment arm (MA)—the perpendicular distance between the TVC actuator’s line-of-action (LOA) and the engine gimbal’s COR. While this fundamental relationship remains valid and accurate in a two-dimensional (2D), one-degree-of-freedom (1-DOF) context—particularly in its non-linear formulation as described in the ER63 Technical Bulletin TB-02 (Derivation of Thrust Vector Control (TVC) Engine-Gimbal / Actuator Moment-Arm Geometry)—it becomes limited when extended to three-dimensional (3D), two-degree-of-freedom (2-DOF) analyses. In 3D, out-of-plane angular displacements can arise, causing the gimbaled engine plane-of-motion to become non-coplanar with the respective actuator plane-of-motion. Such misalignments occur due to the rod-end (RE) and/or tail-stock (TE) mounting geometry of individual TVC actuators. These geometric complexities lead to inaccuracies in calculating engine torques and corresponding actuator forces if only the traditional TVC MA relationship is employed. For higher gimbal angular displacements (e.g., greater than 5 degrees), these inaccuracies become more pronounced, necessitating a more robust mathematical framework. This document presents a comprehensive 3D (2-DOF) derivation of a transformation matrix that accurately converts between gimbaled engine torques and TVC actuator forces. By incorporating the necessary geometric and rotational considerations, this new approach corrects the limitations of the traditional TVC MA method. Subsequent sections compare the newly formulated approach to the traditional method, demonstrating its enhanced accuracy and reliability for a broad range of gimbaled engine conditions.

Thrust Vector Control↗

Time-sequenced and spectrally filtered Rayleigh imaging of shock wave and boundary layer structure for inlet characterization

Multiple pulsed Rayleigh imaging and filtered Rayleigh scattering are used to generate images of a complex boundary layer structure, shock wave/boundary layer interactions, and crossing shock waves. Time-sequenced Rayleigh images taken with a visible, double-pulsed laser system show the evolution of boundary layer structure of the internal flow in a generic cross-shock inlet. The images taken in the inlet give insight into 3D effects caused by the inlet geometry and may be used for modeling the complex flows.

Forkey, Joseph↗

Hydrated Metal and Metal-Nitrate Complexes in Water: Full Lanthanide(III) Series plus Miscellaneous Metal Ions

This is a dataset of hydrated metal complexes and metal–nitrate hydrated complexes intended for public use, reproducibility, and downstream structural analysis. A key feature is coverage across the full lanthanide(III) series (La–Lu), enabling systematic comparisons of coordination motifs and bonding trends across the entire lanthanide sequence. In addition to the lanthanides, the dataset also includes other metal ions such as UO2(VI), Fe(II), and Fe(III). The dataset provides optimized geometries for hydrated and nitrate-containing hydrated complexes, together with representative ab initio molecular dynamics (AIMD) trajectories saved in standard XYZ formats. The accompanying NWChem input decks enable reproduction of the reported calculations and provide a starting point for extending the simulations to related coordination environments. Computationally, DFT calculations employ the B3LYP functional with DFT-D3BJ dispersion corrections and a COSMO continuum solvent model (dielectric constant 78.4) to represent solvation beyond the explicitly treated first hydration shell. AIMD simulations are performed with the NWChem qmd module at 298 K, integrating nuclear motion with the velocity-Verlet algorithm and controlling temperature using a Nosé–Hoover thermostat. Trajectories are approximately 4.8 ps in length and are used primarily to assess short-time stability of candidate coordination motifs, including (for lanthanides) differences between 8- versus 9-water coordination and comparisons between nitrate-bound and nitrate-free hydrated complexes.

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗