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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 199 records · Page 11

Predictable third harmonic generation in GaAs metasurfaces through group theory inverse design of meta-atoms

Here we report the group theory-based inverse design of meta-atoms for a dielectric metasurface in GaAs with predictable optical linear response and third harmonic generation (THG). Six sharp Fano resonances have been observed with a corresponding polarization dependence as predicted by group theory and the meta-atom’s symmetry in the D2h point group. THG has been observed for two modes under x-polarization excitation and one mode for y-polarization, in agreement with theoretical symmetry predictions. The polarization-dependent THG aspect ratio was observed to reach as high as 108. Through strategic structural or symmetry-preserving perturbations, it was shown that the THG can be enhanced or reduced by a factor of 7. The highest THG conversion efficiency was estimated to be 3.1×10-7 at the pump intensity of 1.51 MW/cm2. This high THG conversion efficiency indicates that our group theory approach to modal engineering opens a new path towards optical nonlinearity tuning in dielectric metasurfaces.

Aoueille, Andrew↗

Ice-slurry production for solar-ice systems using supercooling with an in-stream crystallizer

Using ice slurry produced from supercooled water with an in-stream crystallizer opens a new path for solarice systems, increasing efficiency and reducing investment cost compared to ice-on-coil systems. Power needs are decoupled from the stored energy since the heat exchangers are not evenly distributed in the ice storage vessel but directly placed as the heat pump evaporator, which depends on the heat pump capacity and not on the ice storage volume. The novel ice storage design can serve as a heat source for a heat pump, where its evaporator is used to supercool water below 0 °C, or for refrigeration. The supercooled water at a temperature around −2 °C, maintained in a meta-stable liquid state, is triggered to nucleate in an in-stream crystallizer. The current design of the ice crystallizer allows for continuous operation of the system and scalability. Experimental results obtained with a gasketed plate heat exchanger used to supercool water and an in-stream crystallizer operated at a power of up to 6.5 kW are presented.

Thamm, Ann-Katrin↗

Accelerating Finite-temperature Kohn-Sham Density Functional Theory\ with Deep Neural Networks

We present a numerical modeling workflow based on machine learning (ML) which reproduces the the total energies produced by Kohn-Sham density functional theory (DFT) at finite electronic temperature to within chemical accuracy at negligible computational cost. Based on deep neural networks, our workflow yields the local density of states (LDOS) for a given atomic configuration. From the LDOS, spatially-resolved, energy-resolved, and integrated quantities can be calculated, including the DFT total free energy, which serves as the Born-Oppenheimer potential energy surface for the atoms. We demonstrate the efficacy of this approach for both solid and liquid metals and compare results between independent and unified machine-learning models for solid and liquid aluminum. Our machine-learning density functional theory framework opens up the path towards multiscale materials modeling for matter under ambient and extreme conditions at a computational scale and cost that is unattainable with current algorithms.

36 MATERIALS SCIENCE↗

Accelerating Finite-Temperature Kohn-Sham Density Functional Theory with Deep Neural Networks

We present a numerical modeling workflow based on machine learning (ML) which reproduces the total energies produced by Kohn-Sham density functional theory (DFT) at finite electronic temperature to within chemical accuracy at negligible computational cost. Based on deep neural networks, our workflow yields the local density of states (LDOS) for a given atomic configuration. From the LDOS, spatially-resolved, energy-resolved, and integrated quantities can be calculated, including the DFT total free energy, which serves as the Born-Oppenheimer potential energy surface for the atoms. We demonstrate the efficacy of this approach for both solid and liquid metals and compare results between independent and unified machine-learning models for solid and liquid aluminum. Our machine-learning density functional theory framework opens up the path towards multiscale materials modeling for matter under ambient and extreme conditions at a computational scale and cost that is unattainable with current algorithms.

97 MATHEMATICS AND COMPUTING↗

Self-Assembled TiN-Metal Nanocomposites Integrated on Flexible Mica Substrates towards Flexible Devices

The integration of nanocomposite thin films with combined multifunctionalities on flexible substrates is desired for flexible device design and applications. For example, combined plasmonic and magnetic properties could lead to unique optical switchable magnetic devices and sensors. In this work, a multiphase TiN-Au-Ni nanocomposite system with core–shell-like Au-Ni nanopillars embedded in a TiN matrix has been demonstrated on flexible mica substrates. The three-phase nanocomposite film has been compared with its single metal nanocomposite counterparts, i.e., TiN-Au and TiN-Ni. Magnetic measurement results suggest that both TiN-Au-Ni/mica and TiN-Ni/mica present room-temperature ferromagnetic property. Tunable plasmonic property has been achieved by varying the metallic component of the nanocomposite films. The cyclic bending test was performed to verify the property reliability of the flexible nanocomposite thin films upon bending. This work opens a new path for integrating complex nitride-based nanocomposite designs on mica towards multifunctional flexible nanodevice applications.

42 ENGINEERING↗

The continuous measurement of hydrogen chloride in the ambient atmosphere using the dual isotope infrared absorption technique

The results of a program to develop a prototype gas filter correlation NDIR analyzer capable of providing the required HCl measurement capability, while maintaining an adequate rejection of any other gases anticipated in the atmosphere are presented. Examples of the performance of the prototype analyzer are presented which show an rms noise equivalent concentration of 0.06 ppm of HCl was achieved while maintaining an electronically determined 10% to 90% time response to gas samples of about 2 seconds. No measureable response was observed to CO2, CO, and H2O while maintaining an adequate rejection of the hydrocarbons, for example CH4 and n-hexane. The experiments were performed which demonstrate that the span stability of the HCl gas filter correlation analyzer is unaffected by the presence of water vapor and which support the belief that the incorporation of a relatively open-volume, multiple path sample cell into the instrument would enable ground station as well as airborne measurements of trace quantities of HCl in the ambient atmosphere to be performed.

Williams, K. G.↗

Automatic thermal switch

An automatic thermal switch to control heat flow includes a first thermally conductive plate, a second thermally conductive plate and a thermal transfer plate pivotally mounted between the first and second plates. A phase change power unit, including a plunger connected to the transfer plate, is in thermal contact with the first thermally conductive plate. A biasing element, connected to the transfer plate, biases the transfer plate in a predetermined position with respect to the first and second plates. When the phase change power unit is actuated by an increase in heat transmitted through the first plate, the plunger extends and pivots the transfer plate to vary the thermal conduction between the first and second plates through the transfer plate. The biasing element, transfer plate and piston can be arranged to provide either a normally closed or normally open thermally conductive path between the first and second plates.

Wing, L. D.↗

Automatic thermal switch

An automatic thermal switch to control heat flow includes two thermally conductive plates and a thermally conductive switch saddle pivotally mounted to the first plate. A flexible heat carrier is connected between the switch saddle and the second plate. A phase-change power unit, including a piston coupled to the switch saddle, is in thermal contact with the first thermally conductive plate. A biasing element biases the switch saddle in a predetermined position with respect to the first plate. When the phase-change power unit is actuated by an increase in heat transmitted through the first place, the piston extends and causes the switch saddle to pivot, thereby varying the thermal conduction between the two plates through the switch saddle and flexible heat carrier. The biasing element, switch saddle, and piston can be arranged to provide either a normally closed or normally opened thermally conductive path between the two plates.

Cunningham, J. W.↗

On the validity of the double integrator approximation in deep space formation flying

Free-flying models are commonly used f o r path planning and open loop control design (i. e., guidance design) and translational feedback control design (i. e., control design) for deep space precision formation flying. The free flying model, essentially a double integrator, results from discarding small terms in the relative spacecraft equations of motion. While the magnitude of these discarded terms may be small, one must show that their dynamic effects are small as compared to the precision performance requirements. We do so by deriving a theoretical method for bounding the difference between the solution of a nonlinear truth model of the relative translational spacecraft dynamics and a Simplified linear time-invariant model. Presently, the method incorporates feedforward and static output feedback control. The method is applied to a Terrestrial Planet Finder- based example. Using only feedforward control (guidance) the free-flying model and a Hill- Clohessy- Wiltshire Equations-based model are shown to be accurate to 1 c m for up to 4 and 30 hours, respectively. Also shown is that the simplest free-flying model may not be sufficient for low-gain feedback control design-closed-loop tracking errors can be as large as 8 meters.

formation flying free flying model double integrat↗

Responding to the Consequences of Climate Change

The talk addresses the scientific consensus concerning climate change, and outlines the many paths that are open to mitigate climate change and its effects on human activities. Diverse aspects of the changing water cycle on Earth are used to illustrate the reality climate change. These include melting snowpack, glaciers, and sea ice; changes in runoff; rising sea level; moving ecosystems, an more. Human forcing of climate change is then explained, including: greenhouse gasses, atmospheric aerosols, and changes in land use. Natural forcing effects are briefly discussed, including volcanoes and changes in the solar cycle. Returning to Earth's water cycle, the effects of climate-induced changes in water resources is presented. Examples include wildfires, floods and droughts, changes in the production and availability of food, and human social reactions to these effects. The ~lk then passes to a discussion of common human reactions to these forecasts of climate change effects, with a summary of recent research on the subject, plus several recent historical examples of large-scale changes in human behavior that affect the climate and ecosystems. Finally, in the face for needed action on climate, the many options for mitigation of climate change and adaptation to its effects are presented, with examples of the ability to take affordable, and profitable action at most all levels, from the local, through national.

Hildebrand, Peter H.↗

Pupil Alignment Considerations for Large, Deployable Space Telescopes

For many optical systems the properties and alignment of the internal apertures and pupils are not critical or controlled with high precision during optical system design, fabrication or assembly. In wide angle imaging systems, for instance, the entrance pupil position and orientation is typically unconstrained and varies over the system s field of view in order to optimize image quality. Aperture tolerances usually do not receive the same amount of scrutiny as optical surface aberrations or throughput characteristics because performance degradation is typically graceful with misalignment, generally only causing a slight reduction in system sensitivity due to vignetting. But for a large deployable space-based observatory like the James Webb Space Telescope (JWST), we have found that pupil alignment is a key parameter. For in addition to vignetting, JWST pupil errors cause uncertainty in the wavefront sensing process that is used to construct the observatory on-orbit. Furthermore they also open stray light paths that degrade the science return from some of the telescope s instrument channels. In response to these consequences, we have developed several pupil measurement techniques for the cryogenic vacuum test where JWST science instrument pupil alignment is verified. These approaches use pupil alignment references within the JWST science instruments; pupil imaging lenses in three science instrument channels; and unique pupil characterization features in the optical test equipment. This will allow us to verify and crosscheck the lateral pupil alignment of the JWST science instruments to approximately 1-2% of their pupil diameters.

Bos, Brent J.↗

Detecting And Characterizing Archetypes of Unintended Consequences in Engineered Systems

When designing engineered systems, the potential for unintended consequences of design policies or design decisions exists despite best intentions. Conditions that might cause the formation of unintended consequences are often known only in hindsight. However, since these conditions are associated with a single event, it is difficult to uncover the general patterns of conditions leading to unintended consequences. In this research, patterns of conditions associated with unintended consequences are learned from historical data and represented in the form of archetypes. While previous work using systems theoretic modeling has identified high-level archetypes, this work leverages a self-organizing map to learn archetypes of unintended consequences from human-tagged risk factors in a large data set of lessons learned from adverse events at NASA. The sixty-six identified archetypes contain patterns of conditions such as complexity and human-machine interaction associated with the formation of unintended consequences. To validate the archetypes, a sample of the archetypes is represented using system dynamics in order to illustrate that the identified archetypes are specialized versions of known high-level archetypes of unintended consequences. While the research is based upon a specific dataset, the archetypes apply to any engineered system and the pattern of leading indicators open a new path to manage unintended consequences and mitigate the magnitude of potentially adverse outcomes.

Hannah S Walsh↗

LiDAR-Inertial Based Navigation and Mapping for Precision Landing

Future lander missions will travel to ambitious, scientifically interesting locations near rough and dangerous terrain. They will need to operate with limited prior information about the terrain, and under varying lighting conditions. Landing safely and precisely in the face of these challenges is difficult for existing vision-based landing systems, which require detailed orbital reconnaissance, a priori hazard maps, and impose time-of-day restrictions on landing to ensure similar lighting conditions in orbital and descent imagery. Advanced 3D imaging LiDAR systems currently under development, and originally intended for single-scan hazard detection, have the potential to be operated continuously from altitudes of up to 5 km. Used together with existing inertial measurement units (IMUs), these sensors open a path-to-flight for a full navigation and mapping system, which could replace or augment a traditional landing sensor suite. A landing system based around these sensors can perform accurate altimetry, map-relative localization (MRL), LiDAR-inertial odometry, and map refinement in an illumination-insensitive manner, over unknown or partially known terrain. This paper outlines preliminary work on a LiDAR-inertial landing system that: estimates the spacecraft trajectory during entry, descent, and landing (EDL); and maps the topography of the terrain below, for future use in hazard detection and avoidance. An incremental, factor graph based, smoothing approach is used to solve for the maximum a posteriori trajectory of spacecraft states. Integrated IMU measurements and features tracked in adjacent range and intensity images are used to estimate motion (LiDAR-inertial odometry). LiDAR scans are binned into motion-corrected digital elevation models (DEMs), which are matched to an existing orbital topographic map to provide absolute position information (MRL). The estimated trajectory is then used to project the LiDAR scans into the map frame, creating a variable-resolution quadtree topographic map suitable for hazard detection and avoidance. Existing topographic maps from throughout the solar system (i.e., Earth, the Moon, Mars, Ceres, Vesta, Europa, Enceladus, and Eros) are upsampled for use in EDL simulations. The Mars 2020 Lander Vision System Simulator (LVSS) is extended to simulate LiDAR-inertial data for realistic EDL trajectories. Results of the algorithm operating on the simulated data are presented. Estimated spacecraft trajectory and refined map are compared to ground truth to assess estimation accuracy.

Katake, Anup↗

Nuclear reactors including heat exchangers and heat pipes extending from a core of the nuclear reactor into the heat exchanger and related methods

A nuclear reactor including a reactor core comprising a plurality of fuel materials and a plurality of heat pipes. The nuclear reactor further includes a heat exchanger coupled to the reactor core defining a flow path in an open volume including at least two heat pipes of the plurality of heat pipes. Methods of operating a nuclear reactor include passing fluid through an open volume in a heat exchanger including at least two heat pipes extending from a reactor core.

McKellar, Michael G.↗

Effects of AEA Cell-Bypass-Switch Closure on Charged EOS-Aqua NiH2 Cell

The nominal performance of AEA CBPD under simulated EOS-Aqua/Aura flight hardware configuration has been demonstrated. There is no evidence of cell rupture or excessive heat production during or after CBPD switch activation under simulated high cell impedance (open-circuit cell failure mode). Inadvertent CBPD switch activation with a charged cell (low impedance path) intermittently closes and opens up the switch, therefore the device may or may not provide protection against future open-circuit cell failure. Further testing with switches F01 and F02 may provide clarification. The formation of a continuous low impedance path (a homogeneous low melting point alloy), has been confirmed - which is the expected mode of operation.

Keys, Denney↗

Nonadiabatic transition paths from quantum jump trajectories

We present a means of studying rare reactive pathways in open quantum systems using transition path theory and ensembles of quantum jump trajectories. This approach allows for the elucidation of reactive paths for dissipative, nonadiabatic dynamics when the system is embedded in a Markovian environment. Here, we detail the dominant pathways and rates of thermally activated processes and the relaxation pathways and photoyields following vertical excitation in a minimal model of a conical intersection. We find that the geometry of the conical intersection affects the electronic character of the transition state as defined through a generalization of a committor function for a thermal barrier crossing event. Similarly, the geometry changes the mechanism of relaxation following a vertical excitation. Relaxation in models resulting from small diabatic coupling proceeds through pathways dominated by pure dephasing, while those with large diabatic coupling proceed through pathways limited by dissipation. The perspective introduced here for the nonadiabatic dynamics of open quantum systems generalizes classical notions of reactive paths to fundamentally quantum mechanical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Establishing Validation Sites for Field-Level Emissions Quantification from Grain Sorghum in Southern Great Plains

Establish publicly available open-source, high-resolution datasets of greenhouse gas (GHG) emissions, meteorology, soil, and vegetation to support testing and validation of emerging biofuel production monitoring technologies. The project team deployed latest technologies to collect “Gold Standard” data for field- level fluxes of CO 2 , N 2 O, CH 4 and H 2 O in grain sorghum production systems in Texas, Oklahoma, and Kansas. The Oklahoma State University led SMARTFARM was initiated on Oct 1, 2020, due to COVID-19 pandemic delay. We installed closed-path dual laser Eddy Covariance (EC) flux measurement system along with a well-established open-path EC system for simultaneously measuring field-level fluxes of CO 2 , N 2 O, CH 4 , and H2O. The eddy flux data are combined with sub-acre soil moisture and temperature measurements, plant and soil analysis data (nutrient, composition, carbon, growth, and phenology), spatial surveys of soil EC, and pH. Grain sorghum crop was managed including planting and harvesting by producers. All teams recruited postdocs and students for the project and submitted purchase orders for field equipment. The team has developed a draft impact sheet and finalized the advisory board for the project.

09 BIOMASS FUELS↗

Reusable Solid Rocket Motor Nozzle Joint-4 Thermal Analysis

This study provides for development and test verification of a thermal model used for prediction of joint heating environments, structural temperatures and seal erosions in the Space Shuttle Reusable Solid Rocket Motor (RSRM) Nozzle Joint-4. The heating environments are a result of rapid pressurization of the joint free volume assuming a leak path has occurred in the filler material used for assembly gap close out. Combustion gases flow along the leak path from nozzle environment to joint O-ring gland resulting in local heating to the metal housing and erosion of seal materials. Analysis of this condition was based on usage of the NASA Joint Pressurization Routine (JPR) for environment determination and the Systems Improved Numerical Differencing Analyzer (SINDA) for structural temperature prediction. Model generated temperatures, pressures and seal erosions are compared to hot fire test data for several different leak path situations. Investigated in the hot fire test program were nozzle joint-4 O-ring erosion sensitivities to leak path width in both open and confined joint geometries. Model predictions were in generally good agreement with the test data for the confined leak path cases. Worst case flight predictions are provided using the test-calibrated model. Analysis issues are discussed based on model calibration procedures.

Clayton, J. Louie↗