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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 73 records · Page 4

Influence of a Pre-organized N-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by an Aminopolycarboxylate Complexant

The thermodynamic influence of a pre-organized N-donor group on the coordination of trivalent actinides and lanthanides by an aqueous aminopolycarboxylate complexant has been investigated. The synthesized reagent, N-2-methylpicolinate-ethylenediamine- N,N',N' -triacetic acid (EDTA-Mpic), resembles ethylenediamine- N,N,N',N' -tetraacetic acid (EDTA) with a single acetate pendant arm replaced by a 6-carboxypyridin-2-ylmethyl group. The rigid N-donor picolinate functionality has a profound impact on ligand protonation and trivalent f element complexation equilibria, as demonstrated by potentiometric, spectroscopic, and liquid/liquid metal-partitioning studies as well as by molecular dynamics calculations. Relative to diethylenetriamine- N,N,N',N'',N'' -pentaacetic acid (DTPA), the ability to preferentially bind trivalent actinides over trivalent lanthanides was moderately lowered due to the presence of the N-(6-carboxypyridin-2-ylmethyl) substituent. The structural modification substantially amplifies the total ligand acidity of EDTA-Mpic. As a result the complexant sustains the metal complexation and efficient An 3+ /Ln 3+ differentiation in aqueous mixtures of unprecedented acidity for this class of reagents.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cosmic-ray streaming perpendicular to the mean magnetic field

Starting from a quasi-linear approximation for the ensemble-averaged particle distribution function in a random magnetic field, the complete diffusion tensor is derived. This is done by assuming a simple form for the ensemble-averaged distribution function, explicitly retaining all components of the streaming flux. This derivation obtains the antisymmetric terms in a natural manner. The necessary dropping of higher-order terms gives a criterion for the lower-energy limit of validity of the perpendicular and antisymmetric diffusion coefficients. The limit for the assumed distribution function is about 0.8 GV rigidity in the interplanetary field near 1 AU.

Forman, M. A.↗

On the charge state of the anomalous oxygen component

Observations of a phase lag between the intensity variations of high-energy galactic cosmic rays and the quiet-time oxygen flux in the energy region 7.6-24 MeV/nucleon during the time period 1974-1975 are reported. Phase lag or hysteresis effects have been observed during the 11-year solar cycle for low-energy galactic cosmic rays and several authors have shown that this hysteresis effect is a function of the velocity and rigidity (and therefore of the ionic charge) of the particles. Assuming a similar rigidity dependence of the phase lag during the transient intensity decrease of both galactic cosmic rays and the anomalous oxygen component in the time period 1974-1975, and comparing the phase lag as observed for protons and helium during the same period with the oxygen measurements, an upper limit of approximately 4 is derived for the ionic charge of the anomalous oxygen component.

Klecker, B.↗

Static Torsion Testing and Modeling of a Variable Thickness Hybrid Composite Bull Gear

Torsional strength of a variable thickness hybrid gear web was measured by performing static testing on the part in a large torsion test frame. The outer rim of the hybrid gear web was fixed to the bottom of the test frame and loading was applied to the web through a shaft. The test setup included the installation of digital image correlation (DIC) systems to obtain deformation and strain measurements from the surfaces of the hybrid gear web and the mechanical test equipment to ensure reliability of the test. The results indicated that the variable thickness hybrid gear web achieved approximately twice the torsional strength compared to that of previous hybrid gear designs. The DIC analysis showed significantly more straining of the loading shaft than the actual test article. Additionally, the results demonstrated the importance and affect that the metallic, lobed interlock features had on the principal strain and out-of-plane displacement fields. The analysis revealed that the fixed outer rim was in fact rotating and a rigid body motion compensation (RBMC) function was computed to determine the actual rotation of the hub and composite web relative to the outer rim. Modeling simulations were performed for the variable thickness hybrid gear web and correlated well with the RBMC rotational deformation seen in the DIC analysis. In addition to benchmarking the load capacity of the hybrid gear web, measuring its strength is useful information to define the parameters needed for dynamic, endurance, and other testing of the part.

Johnston, Joel P.↗

Modeling root system growth around obstacles

State-of-the-Art models of Root System Architecture (RSA) do not allow simulating root growth around rigid obstacles. Yet, the presence of obstacles can be highly disruptive to the root system. We grew wheat seedlings in sealed petri dishes without obstacle and in custom 3D-printed rhizoboxes containing obstacles. Time-lapse photography was used to reconstruct the wheat root morphology network. We used the reconstructed wheat root network without obstacle to calibrate an RSA model implemented in the R-SWMS software. The root network with obstacles allowed calibrating the parameters of a new function that models the influence of rigid obstacles on wheat root growth. Experimental results show that the presence of a rigid obstacle does not affect the growth rate of the wheat root axes, but that it does influence the root trajectory after the main axis has passed the obstacle. The growth recovery time, i.e. the time for the main root axis to recover its geotropism-driven growth, is proportional to the time during which the main axis grows along the obstacle. Qualitative and quantitative comparisons between experimental and numerical results show that the proposed model successfully simulates wheat RSA growth around obstacles. Our results suggest that wheat roots follow patterns that could inspire the design of adaptive engineering flow networks.

59 BASIC BIOLOGICAL SCIENCES↗

Extension of service life of rigid transfer lines /SMDC/

The results of a life evaluation program on rigid explosive transfer lines, which are used to initiate aircraft emergency crew escape functions, are presented in order to provide quantitative information on rigid explosive transfer lines which can contribute to responsible, conservative, service life determinations. The program involved the development of a test methodology, testing of the three types of transfer lines in use in the U.S., testing of these lines following a repeat of the thermal test conducted in the original qualification, and conducting a degradation investigation. Results from the testing of more than 800 components showed that rigid explosive transfer lines were not affected by age, service, or a repeat of the thermal qualification tests on full-service lines. The explosive degradation limits were approximated and the mechanisms examined. It is concluded that the service lives of rigid explosive transfer lines should be considered for extension in order to provide cost savings and increased system reliability.

Bement, L. J.↗

Hypersonic vehicle simulation model: Winged-cone configuration

Aerodynamic, propulsion, and mass models for a generic, horizontal-takeoff, single-stage-to-orbit (SSTO) configuration are presented which are suitable for use in point mass as well as batch and real-time six degree-of-freedom simulations. The simulations can be used to investigate ascent performance issues and to allow research, refinement, and evaluation of integrated guidance/flight/propulsion/thermal control systems, design concepts, and methodologies for SSTO missions. Aerodynamic force and moment coefficients are given as functions of angle of attack, Mach number, and control surface deflections. The model data were estimated by using a subsonic/supersonic panel code and a hypersonic local surface inclination code. Thrust coefficient and engine specific impulse were estimated using a two-dimensional forebody, inlet, nozzle code and a one-dimensional combustor code and are given as functions of Mach number, dynamic pressure, and fuel equivalence ratio. Rigid-body mass moments of inertia and center of gravity location are functions of vehicle weight which is in turn a function of fuel flow.

Shaughnessy, John D.↗

NMR spin-rotation relaxation and diffusion of methane

The translational diffusion-coefficient and the spin-rotation contribution to the 1 H NMR relaxation rate for methane (CH 4 ) are investigated using MD (molecular dynamics) simulations, over a wide range of densities and temperatures, spanning the liquid, supercritical, and gas phases. Here, the simulated diffusion-coefficients agree well with measurements, without any adjustable parameters in the interpretation of the simulations. A minimization technique is developed to compute the angular velocity for non-rigid spherical molecules, which is used to simulate the autocorrelation function for spin-rotation interactions. With increasing diffusivity, the autocorrelation function shows increasing deviations from the single-exponential decay predicted by the Langevin theory for rigid spheres, and the deviations are quantified using inverse Laplace transforms. The 1 H spin-rotation relaxation rate derived from the autocorrelation function using the “kinetic model” agrees well with measurements in the supercritical/gas phase, while the relaxation rate derived using the “diffusion model” agrees well with measurements in the liquid phase. 1 H spin-rotation relaxation is shown to dominate over the MD-simulated 1 H- 1 H dipole-dipole relaxation at high diffusivity, while the opposite is found at low diffusivity. At high diffusivity, the simulated spin-rotation correlation time agrees with the kinetic collision time for gases, which is used to derive a new expression for 1 H spin-rotation relaxation, without any adjustable parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Surface Pressure Integration Methodology on Launch Vehicle Buffet Forcing Functions

The 2014 test of the Space Launch System (SLS) Rigid Buffet Model conducted at the NASA Langley Transonic Dynamics Tunnel employed an extremely high number of unsteady pressure transducers. The high channel count provided an opportunity to examine the effect of transducer placement on the resulting buffet forcing functions (BFFs). Rings of transducers on the forward half of the model were employed to simulate a single-body vehicle. The impact of transducer density, circumferential distribution, and loss of a single transducer on the resulting BFFs were examined. Rings of transducers on the aft half of the SLS model were employed to examine the effect of transducer density and circumferential distribution on BFFs for a multi-body configuration. Transducer placement considerations with respect to model size, facility infrastructure, and data acquisition system capabilities, which affect the integration process, are also discussed.

Sekula, Martin K.↗

Conformational analysis of diols: Role of the linker on the relative orientation of hydroxyl groups

The conformational flexibility of three covalently linked alcohol dimers, composed of xanthenol units and diphenyl ether (DPE(OH) 2 ), 9,9-dimethylxanthene (XAN(OH) 2 ), or biphenyl (BP(OH) 2 ) linkers was studied. The relative orientation of the two alcohol units (In-In, In-Out, and Out-Out conformers) in the model compounds was investigated using NMR spectroscopy, X-ray crystallography, and density functional theory (DFT) calculations. Diols containing rigid linkers, such as XAN(OH) 2 and BP(OH) 2 , favor the formation of an In-In conformer in solution, and the interconversion between different conformers was slow on the NMR timescale. Interestingly, XAN(OH) 2 adopted an In-Out conformation in the crystalline solid state, possibly due to additional intermolecular interactions. More flexible DPE(OH) 2 was found to freely interconvert on the NMR timescale. This study provides important structural information that can be utilized in catalysis, metal-ligation, and other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Benchmark CO 2 separation achieved by highly fluorinated nanoporous molecular sieve membranes from nonporous precursor via in situ cross-linking

Molecular sieve membranes with rigid micropores and CO 2 -philic functionalities within the architectures are promising candidates in CO 2 separation. However, the development of ctieve approaches for their fabrication still remains a significant challenge. In this study, an in situ cross-linking strategy is developed for the preparation of nanoporous fluorinated moleffecular sieve membranes using commercially available dense and non-porous polystyrene (M PS ) as a precursor template. Based on the dehydrative Friedel-Crafts reactions with highly fluorinated benzylic alcohols, M PS membranes are cross-linked in situ upon exposure to Brønsted acid (CF 3 SO 3 H), affording fluorinated microporous polymeric membranes with surface areas up to 523 m 2 g –1 and the presence of micropores centered at 1.1–1.3 nm as well as ultra-micropores (~0.6 nm). The obtained modified membranes exhibit good ideal CO 2 permeability of 797 barrer and CO 2 /N 2 selectivity of 28.5. In addition, high fluorine content (up to 28.5 wt%) and good thermal stability made the cross-linked membranes promising candidates to produce fluorinated carbon molecular sieve membranes with improved textural properties, exhibiting surface areas up to 1020 m 2 g –1 and ultra-micropores of ~0.4 nm. These membranes achieve superior CO 2 /N 2 separation performances exceeding the Robeson upper bound limit (2008).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analytical desmearing of Bonse–Hart ultra-small-angle neutron scattering data via truncated Abel inversion

A non-iterative analytical framework based on the truncated Abel inversion is developed for desmearing Bonse–Hart ultra-small-angle neutron scattering (USANS) data. The method directly inverts the slit-averaged intensity without empirical extrapolation or iterative regularization, establishing a closed-form relationship between the measured and intrinsic scattering profiles. Numerical benchmarks on representative models, including a rigid-line form factor, a Lorentzian function and a fractal structural model, demonstrate quantitative recovery of the ground-truth intensity across the full Q range. Application to a deuterated polystyrene/poly(2-vinylpyridine) blend further confirms that the approach yields smooth continuous profiles consistent with companion small-angle neutron scattering data. The truncated Abel inversion thus provides a stable, model-independent and physically transparent route for accurate desmearing of Bonse–Hart USANS measurements.

Huang, Guan-Rong [National Tsing Hua University, T↗

Plastic flow around rigid spherical inclusions

The extent of plastic flow in a spherical solid (assumed to be homogeneous and elastically and plastically isotropic), surrounding a concentric rigid sphere was calculated as a function of applied external pressure. The applied pressure necessary to cause plastic deformation throughout the solid was obtained.

Ruoff, A. L.↗

Space shuttle lift-off dynamic model

Previously developed dynamic models for the calculation of lift-off dynamic response of the space shuttle vehicle can handle only response of the vehicle with eight holddown arms attached or with all holddown arms detached. The new model developed in the referenced report takes into account the transition period between holddown and lift-off by giving the model the ability to vary holddown point separation as a function of vehicle flexible body and rigid body motion. This report documents a study made to verify the new model's capability to simulate vehicle response at lift-off. To do this, a finite element model of the skirt is made and coupled to the free-free modes of the vehicle and cantilevered modes calculated and compared with the previously developed model. Results indicate that the new model will be able to predict accurate vehicle loads.

Christian, D.↗

Analysis of torsional spectra of molecules with two internal C/3v/ rotors. III - Far-infrared and gas phase Raman spectra of dimethylamine-d0, -d3, and -d6

The Raman spectra of gaseous dimethylamine-d0, -d3, and -d6 have been recorded between 0 and 4000/cm. The far-infrared spectra have been recorded between 300 and 100/cm. Considerable torsional data are reported and used to characterize the torsional potential function based on a semi-rigid model. The average effective V3 for the dimethylamines was found to be 1052 plus or minus 12/cm. The cos-cos coupling term was approximately 15% of the effective V3, whereas the sine-sine coupling term was of an order of magnitude smaller for (CH3)2NH and (CD3)2NH. However, for the mixed isotope the sine-sine term was found to be negligible and the cos-cos about one-half the value obtained for the other two isotopes.

Durig, J. R.↗