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DOE OSTI2020

Molecular polarizabilities as fingerprints of perturbations to water by ions and confinement

Perturbations to water, both by ions and confining media, have been the focus of numerous experimental and theoretical studies. Yet, several open questions remain, including the extent to which such perturbations modify the structural and dielectric properties of the liquid. Here, we present a first-principles molecular dynamics study of alkali cations in water (Li + , Na + , and K + ) as well as of water and LiCl and KCl solutions under confinement within carbon nanotubes (CNTs) of small diameter (1.1-1.5 nm). Our simulations support the view that the water structure is only modified locally in the presence of cations. We found that molecular polarizabilities are fingerprints of hydrogen bonding modifications, which occur at most up to the second solvation shell for all cations in bulk water. Under confinement, we found that the overall value of the molecular polarizability of water molecules near the surface is determined by the balance of two effects, which are quantitatively different in CNTs of different radii: the presence of broken hydrogen bonds at the surface leads to a decrease in the polarizabilities of water molecules, while the interaction with the CNT enhances polarizabilities. Interestingly, the reduction in dipole moments of interfacial water molecules under confinement is instead driven only by changes in the water structure and not by interfacial interactions. As expected, confinement effects on water molecular polarizabilities and dipole moments are more pronounced in the case of the 1.1 nm CNT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Development of a Method for Shape Optimization for a Gas Turbine Fuel Injector Design Using Metal-Additive Manufacturing

Adjoint shape optimization has enabled physics-based optimal designs for aerodynamic surfaces. Additive manufacturing (AM) makes it possible to manufacture complex shapes. However, there has been a gap between optimal and manufacturable surfaces due to the inherent limitations of commercial computational fluid dynamics (CFD) codes to implement geometric constraints during adjoint computation. In such cases, the design sensitivities are exported and used to perform constrained shape modifications using parametric information stored in computer aided design (CAD) files to satisfy manufacturability constraints. However, modifying the design using adjoint methods in CFD solvers and performing constrained shape modification in CAD can lead to inconsistencies due to different shape parameterization schemes. This paper describes a method to enable the simultaneous optimization of the fluid domain and impose AM manufacturability constraints, resolving one of the key issues of geometry definition for isogeometric analysis. Similar to a grid convergence study, the proposed method verifies the consistencies between shape parameterization techniques present within commercial CAD and CFD software during mesh movement as a part of the adjoint shape optimization routine. By identifying the appropriate parameters essential to a shape optimization study, the error metric between the different parameterization techniques converges to demonstrate sufficient consistencies for justifiable exchange of data between CAD and CFD. For the identified shape optimization parameters, the error metric to measure the deviation between the two parameterization schemes lies within the AM laser-powder bed fusion (L-PBF) process tolerance. Additionally, comparison for subsequent objective function calculations between iterations of the optimization loop showed acceptable differences within 1% variation between the modified geometries obtained using the two parameterization schemes. This method provides justification for the use of multiphysics guided adjoint design sensitivities computed in CFD software to perform shape modifications in CAD to incorporate AM manufacturability constraints during the shape optimization loop such that optimal designs are also additively manufacturable.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Uranium–Molybdenum Alloy Critical Experiments for the Design of the Health Physics Research Reactor

Clean critical experiments with a uranium-molybdenum alloy (average of 10.1616 wt. % Mo with a density of 17.08 g/cm 3 ) were performed at the Oak Ridge Critical Experiments Facility in 1961 to support the design of the Health Physics Research Reactor (HPRR). The HPRR was similar to the Godiva burst reactor at Los Alamos National Laboratory and was designed to produce 50 microseconds burst of 10 17 fission pulses of radiation for dosimetry measurements, initially in support of the determination of the doses from the nuclear detonations in Japan during World War II. These experiments reported here were used to verify the calculational methods used to design the HPRR. These delayed critical measurements were:1) a solid unreflected and unmoderated 8-in.-dimeter U-Mo cylinder, 2) an unmoderated and unreflected annulus with 8-in.-outside diameter, 2-in.-inside diameter cylinder with a central void, 3) an unmoderated and unreflected annulus with 8-in.-outside diameter, 2-in.-inside diameter cylinder with a central void filled with stainless steel, 4) Same as 3) but with 3-in-thick Plexiglas reflector on top with and without cadmium between the reflector and the U-Mo alloy assembly with steel in the center, and 5) an unmoderated and unreflected annulus which was a modification of the second but with the lower 5 inches of the central hole enlarged to 3.5 in. with various reflector conditions. The reflector conditions were: 1-in.-thick Plexiglas on all outer surfaces-void in the center; 1-in.-thick Plexiglas on all outer surfaces-Plexiglas in the center; 2-in.- thick Plexiglas on radial surface-void in the center; 6-in.-thick Plexiglas on the bottom only-Plexiglas in the center; and 6-in.-thick Plexiglas on bottom, 1-in.-thick on top and on the lower 8.25-cm.-section of the radial surface-void in the center. For some of these reflector conditions 0.025-cm.thick cadmium was located between the reflector and the U-Mo alloy. The uranium contained 93.17 wt. % 235 U. Reflection was a safety concern for this unmoderated and unreflected reactor and reduction of reflection effects was also investigated by insertion of neutron absorber around the U-Mo alloy. The stainless steel 304 contained 18% nickel and 8% chromium and the rest iron. The reflector material was a methacrylate plastic (Plexiglas) containing 5.8 x 10 22 atoms/cm 3 of hydrogen and 3.6 x 10 22 atoms/cm 3 of carbon with a density of 1.20 g/cm 3 . The purpose of this report is to document the experimental information for the measurements performed so that at a later date researchers could perform the required uncertainty and calculational analyses and documentation to use these data for an International Nuclear Criticality Safety Benchmark Program (ICSBEP) or a EURATON Nuclear Energy Agency (NEA) benchmark. The data from the experiments described should be acceptable for use as criticality safety benchmark experiments for the ICSBEP and the NEA nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, the uncertainties in k eff could be as low as ±0.0002 for some configurations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1979

Development of an Improved High Efficiency Thin Silicon Solar Cell

Breakage and front contact failure in high efficiency, textured ultrathin cells was reduced as a consequence of the introduction of process modifications. In a small production run, over one hundred ultrathin cells, having an average AMO efficiency of 13%, were fabricated from 10-25 ohm cm silicon. An in-house aluminum paste for back surface field formation was developed that resulted in cell efficiencies equivalent to those from commercial pastes. The quality of the back surface field was found to be dependent on the orientation of the silicon slice during alloying.

Storti, G.↗

NASA NTRS1979

Visual imaging control systems of the Mariner to Jupiter and Saturn spacecraft

Design and fabrication of optical systems for the Mariner Jupiter Saturn (Voyager) mission is described. Because of the long distances of these planets from the sun, the spacecraft was designed without solar panels with the electricity generated on-board by radio-isotope thermal generators (RTG). The presence of RTG's and Jupiter radiation environment required that the optical systems be fabricated out of radiation stabilized materials. A narrow angle and a wide angle camera are located on the spacecraft scan platform, with the narrow angle lens a modification of the Mariner 10 lens. The optical system is described, noting that the lens was modified by moving the aperture correctors forward and placing a spider mounted secondary mirror in the original back surface of the second aperture corrector. The wide angle lens was made out of cerium doped, radiation stabilized optical glass with greatest blue transmittance, which would be resistant to RTG and Jupiter radiation.

Larks, L.↗

NASA NTRS1980

Radiation damage in high voltage silicon solar cells

High open circuit voltage cell designs based on 0.1 Ohm cm p-type silicon were irradiated with 1 MeV electrons and their performance determined to fluences as high as 10 to the 15th power per sq cm. Of the three cell designs, radiation induced degradation was greatest in the high low emitter (HLE) cell. The diffused and ion implanted cells degraded approximately equally but less than the HLE cell. Degradation was greatest in an HLE cell exposed to X-rays before electron irradiation. The cell regions controlling both short circuit current and open circuit voltage degradation were defined in all three cell types. An increase in front surface recombination velocity accompanied time dependent degradation of an HLE cell after X-irradiation. It was speculated that this was indirectly due to a decrease in positive charge at the silicon oxide interface. Modifications aimed at reducing radiation induced degradation are proposed for all three cell types.

Weinberg, I.↗

NASA NTRS1984

The evaluation of failure detection and isolation algorithms for restructurable control

Three failure detection and identification techniques were compared to determine their usefulness in detecting and isolating failures in an aircraft flight control system; excluding sensor and flight control computer failures. The algorithms considered were the detection filter, the Generalized Likelihood Ratio test and the Orthogonal Series Generalized Likelihood Ratio test. A modification to the basic detection filter is also considered which uses secondary filtering of the residuals to produce unidirectional failure signals. The algorithms were evaluated by testing their ability to detect and isolate control surface failures in a nonlinear simulation of a C-130 aircraft. It was found that failures of some aircraft controls are difficult to distinguish because they have a similar effect on the dynamics of the vehicle. Quantitative measures for evaluating the distinguishability of failures are considered. A system monitoring strategy for implementing the failure detection and identification techniques was considered. This strategy identified the mix of direct measurement of failures versus the computation of failure necessary for implementation of the technology in an aircraft system.

Motyka, P.↗

NASA NTRS1987

Timing of ancient extensional tectonic features on Mars

Although numerous studies have delineated the Tharsis and post-Tharsis volcanic/tectonic history on Mars, only a few attempts have examined the earlier epochs. This is not an easy task since unambiguous crater ages for pre-Tharsis and early Tharsis units are difficult to determine owing to a variety of active surface processes. Ancient tectonic features, however, have a sufficiently large superposed crater population that should permit relative dating. A technique for crater counting along linear features analagous to areal crater density is proposed. A modification of this approach has been tested and applied to a variety of ancient tectonic features.

Wichman, R.↗

NASA NTRS1986

The behavior of planetary wave 2 in preconditioned zonal flows

The response of linear planetary wave 2 to changes in the isentropic zonally symmetric distribution of potential vorticity (PV) is investigated numerically. Wave 2 is sensitive to the width and position of a region where the meridional derivative of PV is weak, denoted the 'surf zone', in the middle stratosphere. A narrow surf zone leads to an amplification of wave 2, and confines some of its Eliassen-Palm wave activity in high latitudes. For wider surf zones the wave activity is concentrated near the associated critical surface, and the amplitude of the wave decreases. Large changes in the wave amplitude and in the distribution of its activity are associated with the subtle changes in the zonal winds produced by modest modifications in the distribution of PV. Basic states that include regions of reversed meridional gradients of PV lead to wave overreflection and strong poleward focusing of wave activity. The amplitude of wave 2 is enhanced in the presence of negative gradients, with large responses occurring for eastward traveling waves.

Robinson, Walter A.↗

NASA NTRS1993

Characterization of the thermal conductivity for Advanced Toughened Uni-piece Fibrous Insulations

Advanced Toughened Uni-piece Fibrous Insulations (TUFI) is discussed in terms of their thermal response to an arc-jet air stream. A modification of the existing Ames thermal conductivity program to predict the thermal response of these functionally gradient materials is described in the paper. The modified program was used to evaluate the effect of density, surface porosity, and density gradient through the TUFI materials on the thermal response of these insulations. Predictions using a finite-difference code and calculated thermal conductivity values from the modified program were compared with in-depth temperature measurements taken from TUFI insulations during short exposures to arc-jet hypersonic air streams.

Stewart, David A.↗

NASA NTRS1990

Shape design sensitivities using fully automatic 3-D mesh generation

Previous work in three dimensional shape optimization involved specifying design variables by associating parameters directly with mesh points. More recent work has shown the use of fully-automatic mesh generation based upon a parameterized geometric representation. Design variables have been associated with a mathematical model of the part rather than the discretized representation. The mesh generation procedure uses a nonuniform grid intersection technique to place nodal points directly on the surface geometry. Although there exists an associativity between the mesh and the geometrical/topological entities, there is no mathematical functional relationship. This poses a problem during certain steps in the optimization process in which geometry modification is required. For the large geometrical changes which occur at the beginning of each optimization step, a completely new mesh is created. However, for gradient calculations many small changes must be made and it would be too costly to regenerate the mesh for each design variable perturbation. For that reason, a local remeshing procedure has been implemented which operates only on the specific edges and faces associated with the design variable being perturbed. Two realistic design problems are presented which show the efficiency of this process and test the accuracy of the gradient computations.

Botkin, M. E.↗

NASA NTRS1999

Viscous Design of TCA Configuration

The goal in this effort is to redesign the baseline TCA configuration for improved performance at both supersonic and transonic cruise. Viscous analyses are conducted with OVERFLOW, a Navier-Stokes code for overset grids, using PEGSUS to compute the interpolations between overset grids. Viscous designs are conducted with OVERDISC, a script which couples OVERFLOW with the Constrained Direct Iterative Surface Curvature (CDISC) inverse design method. The successful execution of any computational fluid dynamics (CFD) based aerodynamic design method for complex configurations requires an efficient method for regenerating the computational grids to account for modifications to the configuration shape. The first section of this presentation deals with the automated regridding procedure used to generate overset grids for the fuselage/wing/diverter/nacelle configurations analysed in this effort. The second section outlines the procedures utilized to conduct OVERDISC inverse designs. The third section briefly covers the work conducted by Dick Campbell, in which a dual-point design at Mach 2.4 and 0.9 was attempted using OVERDISC; the initial configuration from which this design effort was started is an early version of the optimized shape for the TCA configuration developed by the Boeing Commercial Airplane Group (BCAG), which eventually evolved into the NCV design. The final section presents results from application of the Natural Flow Wing design philosophy to the TCA configuration.

Krist, Steven E.↗

NASA NTRS2010

Using Leaf Chlorophyll to Parameterize Light-Use-Efficiency Within a Thermal-Based Carbon, Water and Energy Exchange Model

Chlorophylls absorb photosynthetically active radiation and thus function as vital pigments for photosynthesis, which makes leaf chlorophyll content (C(sub ab) useful for monitoring vegetation productivity and an important indicator of the overall plant physiological condition. This study investigates the utility of integrating remotely sensed estimates of C(sub ab) into a thermal-based Two-Source Energy Balance (TSEB) model that estimates land-surface CO2 and energy fluxes using an analytical, light-use-efficiency (LUE) based model of canopy resistance. The LUE model component computes canopy-scale carbon assimilation and transpiration fluxes and incorporates LUE modifications from a nominal (species-dependent) value (LUE(sub n)) in response to short term variations in environmental conditions, However LUE(sub n) may need adjustment on a daily timescale to accommodate changes in plant phenology, physiological condition and nutrient status. Day to day variations in LUE(sub n) were assessed for a heterogeneous corn crop field in Maryland, U,S.A. through model calibration with eddy covariance CO2 flux tower observations. The optimized daily LUE(sub n) values were then compared to estimates of C(sub ab) integrated from gridded maps of chlorophyll content weighted over the tower flux source area. The time continuous maps of daily C(sub ab) over the study field were generated by focusing in-situ measurements with retrievals generated with an integrated radiative transfer modeling tool (accurate to within +/-10%) using at-sensor radiances in green, red and near-infrared wavelengths acquired with an aircraft imaging system. The resultant daily changes in C(sub ab) within the tower flux source area generally correlated well with corresponding changes in daily calibrated LUE(sub n) derived from the tower flux data, and hourly water, energy and carbon flux estimation accuracies from TSEB were significantly improved when using C(sub ab) for delineating spatio-temporal variations in LUE(sub n). The results demonstrate the synergy between thermal infrared and shortwave reflective wavebands in producing valuable remote sensing data for operational monitoring of carbon and water fluxes.

Houlborg, Rasmus↗

NASA NTRS2014

Applying Pressure Sensitive Paint Technology to Rotor Blades

This report will present details of a Pressure Sensitive Paint (PSP) system for measuring global surface pressures on rotorcrtaft blades in simulated forward flight at the 14- by 22-Foot Subsonic Tunnel at the NASA Langley Research Center. The basics of the PSP method will be discussed and the modifications that were needed to extend this technology for use on rotor blades. Results from a series of tests will also be presented as well as several areas of improvement that have been identified and are currently being developed for future testing.

Watkins, A. Neal↗

DOE OSTI2020

Y-12 Groundwater Protection Program Groundwater and Surface Water Sampling and Analysis Plan (CY 2021)

This plan provides a description of the groundwater and surface water quality monitoring activities planned for calendar year (CY) 2021 at the U.S. Department of Energy Y-12 National Security Complex (Y-12) that will be managed by the Y-12 Groundwater Protection Program (GWPP). Groundwater and surface water monitoring is performed by the GWPP. Groundwater and surface water monitoring will be performed in three hydrogeologic regimes at Y-12: the Bear Creek Hydrogeologic Regime (Bear Creek Regime), the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek and East Fork regimes are located in Bear Creek Valley and the Chestnut Ridge Regime is located south of Y-12. Additional surface water monitoring will be performed north of Pine Ridge along the boundary of the Oak Ridge Reservation. The following sections of this report provide details regarding the CY 2021 groundwater and surface water monitoring activities. Section 2 describes the monitoring locations in each regime and the processes used to select the sampling locations. A description of the field measurements and laboratory analytes is provided in Section 3. Sample collection methods and procedures are described in Section 4, and Section 5 lists the documents cited for more detailed operational and technical information. The narrative sections of the report reference several appendices. Figures (maps and diagrams) and tables (excluding a data summary table presented in Section 4) are in Appendix A and Appendix B, respectively. Groundwater Monitoring Schedules (when issued throughout CY 2021) will be inserted in Appendix C, and addenda to this plan (if issued) will be inserted in Appendix D. Laboratory requirements (bottle lists, holding times, etc.) are provided in Appendix E, and an approved Waste Management Plan is provided in Appendix F. Modifications to the CY 2021 monitoring program may be necessary during implementation. Changes in programmatic requirements may alter the analytes specified for selected monitoring wells or may add or remove wells from the planned monitoring network. Each modification to the monitoring program will be approved by the Y-12 GWPP manager and documented as an addendum to this sampling and analysis plan.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1955

The Hydrodynamic Characteristics of Modified Rectangular Flat Plates Having Aspect Ratios of 1.00, 0.25, and 0.125 and Operating near a Free Water Surface

Report presents the results of an investigation conducted to determine the hydrodynamic forces and moments acting on modified rectangular flat plates with aspect ratios of 1.00, 0.25, and 0.125 mounted on a single strut and operating at several depths of submersion. A simple method has been developed by modification of Falkner's vortex-lattice theory which enables the prediction of the lift characteristics in unseparated flow at large depths. This method shows good agreement with experimental data from the present tests and with aerodynamic data at all angles investigated for aspect ratios of 1.00 and 0.25 and at angles up to 16 degrees for aspect ratio 0.125. Above 16 degrees for aspect ratio 0.125, the predicted lift proved too high.

Wadlin, Kenneth L↗

NASA NTRS1998

Hi-Nicalon Fiber-Reinforced Celsian Matrix Composites: Influence of Interface Modification

Unidirectional celsian matrix composites having 42-45 vol % of uncoated or BN-SIC coated Hi-Nicalon fibers were tested in three-point bend at room temperature. The uncoated fiber-reinforced composites showed catastrophic failure with strength of 210 35 MPa and a flat fracture surface. In contrast, composites reinforced with coated fibers exhibited graceful failure with extensive fiber pullout. Values of first matrix cracking stress and strain were 435 +/- 35 MPa and 0.27 +/- 0.01%, respectively, with ultimate strength as high as 960 MPa. The elastic Young modulus of the uncoated and coated fiber-reinforced composites were 184 +/- 4 GPa and 165 +/- 5 GPa, respectively. Fiber push-through tests and microscopic examination indicated no chemical reaction at the uncoated or coated fiber-matrix interface. The low strength of composite with uncoated fibers is due to degradation of the fiber strength from mechanical damage during processing. Because both the coated- and uncoated-fiber-reinforced composites exhibited weak interfaces, the beneficial effect of the BN-SIC dual layer is primarily the protection of fibers from mechanical damage during processing.

Bansal, Narottam P.↗

NASA NTRS2024

Impact Modification of Basalt, Gabbro, Serpentine – Effects on Spectral Properties

Powdered samples of Sheep Canyon basalt (Alpine, TX), Bushveldt gabbro, and serpentine (provenance unknown) were impacted at different speeds to explore spectral changes induced by the impact process. Understanding these changes enables identification and interpretation of remotely sampled rocky body surfaces. Post-impact materials were examined in the ultraviolet to visible (UV-Vis) to search for changes in spectral characteristics. Table 1 summarizes the samples and impact speeds examined.

Impact↗