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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Stabilizing PFAE Against Oxidation

Process makes commercial perfluoroalkylether (PFAE) hydraulic fluid more stable in presence of metals in hot oxidizing atmospheres. Consists of thermal oxidation in presence of catalyst to remove weak links, followed by transformation of newly-created functional groups into phospha-s-triazine linkages, which impart antioxidation and anticorrosion properties. A 66-percent yield of stable PFAE obtained. Fluid used as lubricant, grease, or hydraulic fluid at temperatures from -55 to +300 degree C in presence of metals in oxidizing atmosphere.

Jones, W. R., Jr.↗
NASA NTRS1988

Snow cover, snowmelt and runoff in the Himalayan River basins

Not withstanding the seasonal vagaries of both rainfall amount and snowcover extent, the Himalayan rivers retain their basic perennial character. However, it is the component of snowmelt yield that accounts for some 60 to 70 percent of the total annual flow volumes from Hamilayan watersheds. On this large hydropotential predominantly depends the temporal performance of hydropower generation and major irrigation projects. The large scale effects of Himalayan snowcover on the hydrologic responses of a few selected catchments in western Himalayas was studied. The antecedent effects of snowcover area on long and short term meltwater yields can best be analyzed by developing appropriate hydrologic models forecasting the pattern of snowmelt as a function of variations in snowcover area. It is hoped that these models would be of practical value in the management of water resources. The predictability of meltwater for the entire snowmelt season was studied, as was the concurrent flow variation in adjacent watersheds, and their hydrologic significance. And the applicability of the Snowmelt-Runoff Model for real time forecast of daily discharges during the major part of the snowmelt season is examined.

Dey, B.↗
NASA NTRS1988

Spatial and temporal variability of VAS radiance measurements by structure and correlation analysis

The statistical structure function analysis presently applied to VISSR Atmospheric Sounder (VAS) measurements has been extended to include time, and yields structure plots in either two spatial dimensions or one spatial dimension and time that indicate three-dimensional measurement variability. The analyses that include time as a coordinate also yield an indication of the mean speed and direction of the analyzed data. Results for three-hourly VAS data indicate that sampling at a high, approximately 1-hour, frequency is required in order to correctly monitor VAS measurements' temporal variability in a way equivalent to high spatial resolution.

Hillger, Donald W.↗
NASA NTRS1989

Space station Simulation Computer System (SCS) study for NASA/MSFC. Volume 4: Conceptual design report

The Simulation Computer System (SCS) is the computer hardware, software, and workstations that will support the Payload Training Complex (PTC) at Marshall Space Flight Center (MSFC). The PTC will train the space station payload scientists, station scientists, and ground controllers to operate the wide variety of experiments that will be onboard the Space Station Freedom. In the first step of this task, a methodology was developed to ensure that all relevant design dimensions were addressed, and that all feasible designs could be considered. The development effort yielded the following method for generating and comparing designs in task 4: (1) Extract SCS system requirements (functions) from the system specification; (2) Develop design evaluation criteria; (3) Identify system architectural dimensions relevant to SCS system designs; (4) Develop conceptual designs based on the system requirements and architectural dimensions identified in step 1 and step 3 above; (5) Evaluate the designs with respect to the design evaluation criteria developed in step 2 above. The results of the method detailed in the above 5 steps are discussed. The results of the task 4 work provide the set of designs which two or three candidate designs are to be selected by MSFC as input to task 5-refine SCS conceptual designs. The designs selected for refinement will be developed to a lower level of detail, and further analyses will be done to begin to determine the size and speed of the components required to implement these designs.

Source record↗
NASA NTRS1993

A laboratory study of friction-velocity estimates from scatterometry - Low and high regimes

Measurements from scatterometers pointing at wind-waves in three large wave tanks are examined to study fetch effects and the correlation with wind friction velocity. Time-series measurements were made at 13, 35, and 95 m with a Ka-band scatterometer aimed upwind at 30 deg incidence angle and vertical polarization. Average normalized radar cross-section (sigma-0) values from all fetches follow a common trend for sigma-0 as a function of wind friction velocity, so the fetch dependence is negligible. An empirical power-law model yields a high correlation between sigma-0 and wind friction velocity, but, because systematic anomalies arise, we reexamine a turbulence approach that delineates low and high regimes with a transition at a wind friction velocity of approximately 25 cm/s. Using this criteria, the data are well represented by a two-section power-law relationship between sigma-0 and wind friction velocity.

Bliven, L. F.↗
NASA NTRS1994

Continuous-Flow Gas-Phase Bioreactors

Continuous-flow gas-phase bioreactors proposed for biochemical, food-processing, and related industries. Reactor contains one or more selected enzymes dehydrated or otherwise immobilized on solid carrier. Selected reactant gases fed into reactor, wherein chemical reactions catalyzed by enzyme(s) yield product biochemicals. Concept based on discovery that enzymes not necessarily placed in traditional aqueous environments to function as biocatalysts.

Wise, Donald L.↗
NASA NTRS1994

Transfer function modeling of damping mechanisms in distributed parameter models

This work formulates a method for the modeling of material damping characteristics in distributed parameter models which may be easily applied to models such as rod, plate, and beam equations. The general linear boundary value vibration equation is modified to incorporate hysteresis effects represented by complex stiffness using the transfer function approach proposed by Golla and Hughes. The governing characteristic equations are decoupled through separation of variables yielding solutions similar to those of undamped classical theory, allowing solution of the steady state as well as transient response. Example problems and solutions are provided demonstrating the similarity of the solutions to those of the classical theories and transient responses of nonviscous systems.

Slater, J. C.↗
NASA NTRS1988

Age dependency of base modification in rabbit liver DNA

Age-related modifications of DNA bases have been observed in the liver of the New Zealand white (NZW) rabbit (Oryctolagus cuniculus), a lagomorph with a median life span in captivity of 5-7 yr. The ages of the animals studied ranged from 6 wk to 9 yr. After the DNA had been extracted from the liver cell nuclei and hydrolyzed with acid, the bases were analyzed by column chromatography with Cellulofine gels (GC-15-m). Two peaks in the chromatogram, which eluted before the four DNA bases, contained modified bases. Those materials, which were obtained in relatively large amounts from old animals, were highly fluorescent, and were shown to be crosslinked base products by mass spectrometry. The yield of crosslinked products versus rabbit age (greater than 0.5 yr) can be fitted by an exponential function (correlation coefficient: 0.76 +/- 0.09).

NASA Discipline Radiation Health↗
NASA NTRS2012

Stereo and IMU-Assisted Visual Odometry for Small Robots

This software performs two functions: (1) taking stereo image pairs as input, it computes stereo disparity maps from them by cross-correlation to achieve 3D (three-dimensional) perception; (2) taking a sequence of stereo image pairs as input, it tracks features in the image sequence to estimate the motion of the cameras between successive image pairs. A real-time stereo vision system with IMU (inertial measurement unit)-assisted visual odometry was implemented on a single 750 MHz/520 MHz OMAP3530 SoC (system on chip) from TI (Texas Instruments). Frame rates of 46 fps (frames per second) were achieved at QVGA (Quarter Video Graphics Array i.e. 320 240), or 8 fps at VGA (Video Graphics Array 640 480) resolutions, while simultaneously tracking up to 200 features, taking full advantage of the OMAP3530's integer DSP (digital signal processor) and floating point ARM processors. This is a substantial advancement over previous work as the stereo implementation produces 146 Mde/s (millions of disparities evaluated per second) in 2.5W, yielding a stereo energy efficiency of 58.8 Mde/J, which is 3.75 better than prior DSP stereo while providing more functionality.

Source record↗
DOE OSTI2018

Quantum chemical replica-exchange umbrella sampling molecular dynamics simulations reveal the formation mechanism of iron phthalocyanine from iron and phthalonitrile

Phthalocyanine (Pc) and its metal complexes (MPcs) have been used industrially since their discovery in the early 20th century. The phthalonitrile (PN) method is a well-known synthesis method in which Pc or MPc can be afforded by heating a mixture of PN and metal powders over 280 °C with only moderate yield. However, the formation mechanism of the phthalocyanines and the intermediate stages of this seemingly simple reaction have yet to be fully understood. To study this mechanism computationally, we carried out quantum chemical molecular dynamics (MD) simulations based on the density-functional tight-binding (DFTB) method, applying the replica-exchange umbrella sampling (REUS) method, starting from four PN molecules and one iron atom. The DFTB-REUS-MD simulations successfully yielded FePc, and a metastable structure very similar to FePc but with a reactive nitrene unit was also identified that might explain the incomplete conversion of the reactants into FePc. Furthermore, analysis of the MD trajectories reveals a three-step FePc formation mechanism for the PN method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency

Here, we report the synthesis and characterization of (Ph 4 P) 2 SbCl 5 , a novel ionically bonded organic metal halide hybrid with a zero-dimensional (0D) structure at the molecular level. By cocrystallization of tetraphenylphosphonium (Ph 4 P + ) and antimony (Sb 3+ ) chloride salts, (Ph 4 P) 2 SbCl 5 bulk single crystals can be prepared in high yield, which exhibit a highly efficient broadband red emission peaked at 648 nm with a photoluminescence quantum efficiency (PLQE) of around 87%. Density functional theory (DFT) calculations reveal the origin of emission as phosphorescence from the excitons localized at SbCl 5 2– with strong excited-state structural distortion. Interestingly, (Ph 4 P) 2 SbCl 5 bulk crystals with a PLQE of around 100% can be prepared via a rapid crystal growth process within minutes, followed by a spontaneous structural transformation. It was found that the rapid growth process yielded a yellow emitting kinetically favored metastable product containing solvent molecules, which turned into the red emitting thermodynamically stable product slowly at room temperature or quickly upon thermal treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor

The rational bottom-up synthesis of atomically defined graphene nanoribbon (GNR) heterojunctions represents an enabling technology for the design of nanoscale electronic devices. Synthetic strategies used thus far have relied on the random copolymerization of two electronically distinct molecular precursors to yield GNR heterojunctions. In this paper we report the fabrication and electronic characterization of atomically precise GNR heterojunctions prepared through late-stage functionalization of chevron GNRs obtained from a single precursor. Post-growth excitation of fully cyclized GNRs induces cleavage of sacrificial carbonyl groups, resulting in atomically well-defined heterojunctions within a single GNR. The GNR heterojunction structure was characterized using bond-resolved scanning tunnelling microscopy, which enables chemical bond imaging at T = 4.5 K. Scanning tunnelling spectroscopy reveals that band alignment across the heterojunction interface yields a type II heterojunction, in agreement with first-principles calculations. Finally, GNR heterojunction band realignment proceeds over a distance less than 1 nm, leading to extremely large effective fields.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2005

Influence of Hydroponically Grown Hoyt Soybeans and Radiation Encountered on Mars Missions on the Yield and Quality of Soymilk and Tofu

Soybeans were chosen for hmar and planetary missions due to their nutritive value and ability to produce oil and protein for further food applications. However, soybeans must be processed into foods prior to crew consumption. Wilson et al. (2003) raised questions about (1) the influence of radiation (on germination and functional properties) that the soybeans would be exposed to during bulk storage for a Mars mission, and (2) the impact of using hydroponically grown versus field grown soybeans on the yield and quality of soyfoods. The influence of radiation can be broken down into two components: (A) affect of surface pasteurization to ensure the astronauts safety from food-borne illnesses (a Hazard Analysis Critical Control Point), and (B) affect of the amount of radiation the soybeans receive during a Mars mission. Decreases in the amount of natural antioxidants and free radical formation and oxidation induced changes in the soybean (lipid, protein, etc.) will influence the nutritional value, texture, quality, and safety of soyfoods made from them. The objectives of this project are to (1) evaluate the influence of gamma and electron beam radiation on bulk soybeans (HACCP, CCP) on the microbial load, germination, ease of processing, and quality of soymilk and tofu; (2) provide scale up and mass balance data for Advanced Life Support subsystems including Biomass, Solid Waste Processing, and Water Recovery Systems; and (3) to compare Hoyt field grown to hydroponically grown Hoyt soybeans for soymilk and tofu production. The soybean cultivar Hoyt, a small standing, high protein cultivar that could grow hydroponically in the AIMS facility on Mars) was evaluated for the production of soymilk and tofu. The quality and yield of the soymilk and tofu from hydroponic Hoyt, was compared to Vinton 81 (a soyfood industry standard), field Hoyt, IA 2032LS (lipoxygenase-free), and Proto (high protein and antioxidant potential). Soymilk and tofu were produced using the Japanese method. The soymilk was coagulated with calcium sulfate dihydrate. Soybeans and tofu were evaluated using chemical, microbial, and instrumental sensory methods. The surface radiation of whole dry soybeans using electron beam or gamma rays at 10 or 30 kGy did provide microbial safety for the astronauts. However, these doses caused oxidative changes that resulted in tofu with rancid aroma, darkening of the tofu, lower tofu yields, more solid waste, and loss of the ability of the seeds to germinate. While lower doses may reduce these problems, we lose the ability to insure microbial safety (cross-contamination) of bulk soybeans for the astronauts. Counter measures could include vacuum packaging, radiating under freezing conditions. A No Effect Dose for food quality, below 10 kGy needs to be determined. Better estimates of the radiation that the food will be exposed to need to determined and shared. Appropriate shielding for the food as well as the astronauts needs to be developed. The Hoyt soybean did not provide a high yielding, high quality tofu. A new small scale system for evaluating soybeans was developed using 50 g quantities of soybeans.

Wilson, Lester A.↗
DOE OSTI2018

Minimizing Energy Consumption from Connected Signalized Intersections by Reinforcement Learning

Explicit energy minimization objectives are often discouraged in signal optimization algorithms due to its negative impact on mobility performance. One potential direction to solve this problem is to provide a balanced objective function to achieve desired mobility with minimized energy consumption. This research developed a reinforcement learning (RL) based control with reward functions considering energy and mobility in a joint manner-a penalty function is introduced for number of stops. Further, we proposed a clustering-based technique to make the state-space finite which is critical for a tractable implementation of the RL algorithm. We implemented the algorithm in a calibrated NG-SIM network within a traffic micro-simulator-PTV VISSIM. With sole focus on energy, we report 47% reduction in energy consumption when compared with existing signal control schemes, however causing a 65.6% increase in system travel time. In contrast, the control strategy focusing on energy minimization with penalty for stops yields 6.7% reduction in energy consumption with 27% increase in system travel time. The developed RL algorithm with a flexible penalty function in the reward will achieve desired energy goals for a network of signalized intersections without compromising on the mobility performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Ligand‐Mediated Quantum Yield Enhancement in 1‐D Silver Organothiolate Metal–Organic Chalcogenolates

X-ray free electron laser (XFEL) microcrystallography and synchrotron single-crystal crystallography are used to evaluate the role of organic substituent position on the optoelectronic properties of metal–organic chalcogenolates (MOChas). MOChas are crystalline 1D and 2D semiconducting hybrid materials that have varying optoelectronic properties depending on composition, topology, and structure. While MOChas have attracted much interest, small crystal sizes impede routine crystal structure determination. A series of constitutional isomers where the aryl thiol is functionalized by either methoxy or methyl ester are solved by small molecule serial femtosecond X-ray crystallography (smSFX) and single crystal rotational crystallography. While all the methoxy examples have a low quantum yield (0-1%), the methyl ester in the ortho position yields a high quantum yield of 22%. Here, the proximity of the oxygen atoms to the silver inorganic core correlates to a considerable enhancement of quantum yield. Four crystal structures are solved at a resolution range of 0.8–1.0 Å revealing a collapse of the 2D topology for functional groups in the 2- and 3- positions, resulting in needle-like crystals. Further analysis using density functional theory (DFT) and many-body perturbation theory (MBPT) enables the exploration of complex excitonic phenomena within easily prepared material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deep Learning–Assisted Multiobjective Optimization of Geological CO 2 Storage Performance under Geomechanical Risks

In geological CO 2 storage, designing the optimal well control strategy for CO 2 injection to maximize CO 2 storage while minimizing the associated geomechanical risks is not trivial. This challenge arises due to pressure buildup, CO 2 plume migration, the highly nonlinear nature of geomechanical responses to rock-fluid interaction, and the high computational cost associated with coupled flow and geomechanics simulations. In this paper, we introduce a novel optimization framework to address these challenges. The optimization problem is formulated as follows: maximize total CO 2 storage while minimizing geomechanical risks by adjusting the injection schedules within bounded constraints. The geomechanical risks are primarily driven by injection-induced pressure build-up, which is characterized by ground displacement and the induced microseismicity. We used the Fourier neural operator (FNO)-based deep learning model to construct surrogate models, replacing the time-consuming coupled flow and geomechanics simulations for evaluating the aforementioned objective functions. The developed surrogate models have been incorporated into a multiobjective optimization framework through a genetic algorithm to reduce the computational burden. The proposed optimization framework reduces the computational cost from approximately 2,400 hours, when using objective function evaluations based on physics-based simulations, to around 20 minutes. A set of Pareto-optimal solutions of the proposed workflow yields nontrivial optimal decisions, reducing the microseismicity potential and the vertical displacement. This Pareto front highlights the optimal trade-offs between CO 2 storage amount, safety, and ground displacement, emphasizing the need for careful optimization and management of injection strategies to achieve a balanced outcome. The novelty of this work is twofold. First, we demonstrate the importance of incorporating the minimization of the geomechanical risks as objective functions into the CO 2 storage optimization workflow to mitigate the potential risk of induced microseismicity and ground displacement. Second, we leverage the FNO-based surrogate models to optimize a real-field CO 2 storage operation.

42 ENGINEERING↗
DOE OSTI2022

The Effect of Cell Geometry and Trigger Method on the Risks Associated with Thermal Runaway of Lithium-Ion Batteries

Consideration of thermal runaway heat output variability is paramount for the development of safe lithium-ion battery assemblies. This study utilizes data gathered from fractional thermal runaway calorimetry (FTRC) experiments to conduct a comparative analysis of thermal runaway heat output for three cell formats (18650, 21700, and 33600) as a function of trigger method (heaters, internal short-circuiting device, and nail penetration). The analysis is based on comparisons for the calculated total energy yield, fractional energy yield, heat rate, and heat flux. This study reveals that nail penetration tends to result in higher thermal runaway heat output for larger cells (21700 & 33600); these experiments also tended to result in higher fractions of the total energy being released through the cell body. The smaller cells (18650) did not appear to have significant variation in heat output as a function of trigger method. This finding suggests that, for this cell type, worst-case scenario heat output could be achievable in assembly level testing regardless of the utilized trigger method. This study also demonstrates successful translation of FTRC results, as recorded in the Battery Failure Databank, into meaningful analysis that breaks down the influence of specific conditions on thermal runaway heat output.

calorimetry↗
DOE OSTI2020

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↗