Search NASA⌕ Search

SEARCH · Search NASA

Results for “theoretical developments”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,693 records · Page 94

Flow Boiling and Condensation Experiment (FBCE): Summary of Findings for Flow Boiling based on Completed ISS Experiments

Since 2011, researchers from Purdue University and NASA Glenn Research Center (GRC) have been collaborating to investigate the effects of gravity on several aspects of flow boiling and flow condensation. This massive research endeavor, termed the Flow Boiling and Condensation Experiment (FBCE), has culminated in development of NASA’s largest and most complex facility for investigation of two-phase fluid physics onboard the ISS. FBCE consists of two separate studies: flow boiling, using the Flow Boiling Module (FBM), and flow condensation, using the Condensation Module for Heat Transfer Measurements (CM-HT); this presentation concerns the FBM portion of FBCE. Fitted with FBM, FBCE was launched to the ISS in August 2021 and experiments were successfully performed starting in February 2022 to amass a large microgravity-flow-boiling database supported by extensive visualization of interfacial behavior using high-speed video. Based on FBCE experiments performed previously in Earth gravity and parabolic flight, along with the new ISS data, several empirical correlations, theoretical models, and CFD models have been developed, enabling the prediction of crucial flow boiling parameters, including heat transfer coefficient and critical heat flux (CHF). These predictive tools, which will be summarized in this presentation, are expected to serve as foundation for design of future space systems involving flow boiling.

Two-phase flow and phase transition↗

Raman Digital Twin of Monolayer Janus Transition Metal Dichalcogenides

Monolayer transition metal dichalcogenides (TMDs) are a key class of two-dimensional (2D) materials with broad technological potential. Their Janus counterparts exhibit unique properties due to broken out-of-plane symmetry and further enrich the functionalities of TMDs. However, experimental synthesis and identification of Janus TMDs remain challenging. It is thus highly desirable to have a rapid, simple, and in situ characterization technique to monitor, in real time, the conversion process from the parent to Janus structure. Raman spectroscopy stands out for such a task as it is a powerful, nondestructive, and very commonly used tool to characterize 2D materials both in situ and ex situ. To realize the full potential of Raman spectroscopy on rapid characterization of Janus TMDs, we present a computational “Raman digital twin” library for various monolayer Janus TMDs in both 2H and Td phases. We focus on group-6 TMDs: MoS 2 , WS 2 , MoSe 2 , WSe 2 , MoTe 2 , WTe 2 and their Janus variants: MoSSe, MoSTe, MoSeTe, WSSe, WSTe, and WSeTe. Using first-principles density functional theory (DFT), we calculate their vibrational properties and predict distinct Raman fingerprints. These phonon and Raman signatures reflect each material’s structural symmetry and atomic composition, enabling clear identification via Raman spectroscopy. Our theoretical work supports experimental efforts by providing benchmarks for material identification, structural analysis, and quality control. In conclusion, the computational library expedites the discovery and development of Janus 2D materials, facilitating tighter integration between theoretical predictions and experimental validation.

Chalcogenides↗

Nutrient Cycle Impacts on Forest Ecosystem Carbon Cycling: Improved Prediction of Climate Feedbacks from Coupled C–Nutrient Dynamics from Ecosystem to Regional Scales

One of the largest sources of uncertainty in the projected global mean temperature response to anthropogenic carbon (C) emissions is the role of the land surface in contributing to or mediating the rise in atmospheric CO2 [IPCC, 2007]. Development of ecosystem processes in global land surface models (LSMs) is far from complete, with major components such as the nitrogen (N) cycle only recently being implemented in some LSMs [Thornton et al., 2007; Sokolov et al., 2008; Xu-Ri and Prentice, 2008; Fisher et al., 2010]. Inclusion of the N cycle can reduce terrestrial C uptake by up to ~50 Pg C·y-1 globally [Figure 1: Fisher et al., 2010]. However, even these early representations of the N cycle in LSMs are missing critical plant–soil interactions that have been shown empirically to exert a major influence over ecosystem C fluxes. Here we propose to use a newly developed plant N model by PI Fisher as a theoretical and analytical framework for integrating novel field-based methods and long-term flux observations to quantify the impacts of belowground processes on fluxes of C, water and energy, from ecosystem to regional scales. Although the model (Fixation & Uptake of Nitrogen: FUN) is one of the more advanced global plant N models available, the model is dependent on theoretical C flux curves optimizing plant C allocation to root exudates, symbiotic bacteria and fungi, and retranslocation enzymes that have not been confirmed or validated with measurements—primarily because the measurement techniques had not been available, until recently. Parallel to the model developments by Fisher et al. were developments in in situ direct measurement techniques by Phillips et al. [2008; 2011], who were able to measure C fluxes from roots to soil. Not only do these techniques have the capacity to confirm and/or modify the modeling components in the Fisher et al. plant N model, but they also provide insight into how belowground C supply from roots couples the C–N cycles at the micro-site and ecosystem scales. Collectively, the integration of measurements and modeling provides empirical grounding for theoretical process behavior. Three critical components will enable us to successfully carry out this research: I) new methodological approaches developed by co-I Phillips for in situ measurement of root exudates, and belowground C fluxes that allow for testing and refinement of FUN [Phillips et al., 2008; Phillips et al., 2011]; II) an innovative research design that involves data integration across an ecological gradient, including a DOE-supported AmeriFlux tower operated by co-I Dragoni, which is essential to determining the ecosystem flux impacts [Dragoni et al., 2011]; and, III) new results from co-I Evans showing unique spectral signatures of trees in association with ectomycorrhizae (ECM) and arbuscular mycorrhizae (AM) fungi from Landsat data using spectral mixture analysis (SMA), which is key to scaling up belowground processes to regional scales [Andersson et al., 2009]. Each component provides feedback to and is intimately linked with all other components; no part operates in isolation. Our team and approach combines expertise in modeling, remote sensing, ecosystem ecology, plant physiology, soil biogeochemistry, and micrometeorology to address these inherently interdisciplinary problems and questions. This proposal directly responds to the focused Science Area of the FOA: “The role of belowground processes and mechanisms across scales (e.g., soil carbon transformation, root dynamics, mycorrhizal interactions, and plant mediated (e.g., root exudates) biogeochemical transformations) associated with a changing climate.

54 ENVIRONMENTAL SCIENCES↗

Multiscale Modeling of Supercritical Combustion with Two-Level Simulation on Adaptive Beamlets

Supercritical carbon dioxide (sCO 2 ) direct-powered turbine technology is a promising choice for the next generation of high-efficiency and low-emissions fossil fuel power systems. Breakthrough improvements in the design and development of the sCO 2 oxy-combustion devices are hampered by the lack of high-fidelity simulation tools suitable for the supercritical highly-CO 2 diluted reactive flow environment. The critically missing capabilities in many commercial and research codes exist due to the unaccounted effects of many nonlinearities, and the small-scale complex processes which become prominent at supercritical conditions. The present approach aims to address many shortcomings of the currently used models by adopting and generalizing a multiscale modeling concept of the Two-Level Simulation (TLS). In the TLS, all small-scale flow fields are simulated explicitly, albeit on one-dimensional (1D) domains -- beamlets represented by a collection of line segments embedded in a three-dimensional (3D) computational domain. In this research, we laid theoretical groundwork needed for application of the developed approach to variable density turbulent reacting flows and to sCO 2 combustors, in particular. The small-scale governing equations on the beamlets were introduced and analyzed by drawing a comparison with the supercritical Direct Numerical Simulation (DNS) data sets to validate the TLS modeling assumptions. A series of the 2D DNS studies of premixed flame propagation in pipes, in a highly CO 2 -diluted environment, was performed in order to elucidate the effects of dilution on the laminar burning velocity, flame thickness, as well as on the dynamics and morphology of a corrugated flame front. The demonstrated approach could be applicable to high-fidelity modeling of other supercritical combustion devices including liquid rocket engines.

30 DIRECT ENERGY CONVERSION↗

Study of boundary-layer transition using transonic cone Preston tube data

Laminar layer Preston tube data on a sharp nose, ten degree cone obtained in the Ames 11 ft TWT and in flight tests are analyzed. During analyses of the laminar-boundary layer data, errors were discovered in both the wind tunnel and the flight data. A correction procedure for errors in the flight data is recommended which forces the flight data to exhibit some of the orderly characteristics of the wind tunnel data. From corrected wind tunnel data, a correlation is developed between Preston tube pressures and the corresponding values of theoretical laminar skin friction. Because of the uncertainty in correcting the flight data, a correlation for the unmodified data is developed, and, in addition, three other correlations are developed based on different correction procedures. Each of these correlations are used in conjunction with the wind tunnel correlation to define effective freestream unit Reynolds numbers for the 11 ft TWT over a Mach number range of 0.30 to 0.95. The maximum effective Reynolds numbers are approximately 6.5% higher than the normal values. These maximum values occur between freestream Mach numbers of 0.60 and 0.80. Smaller values are found outside this Mach number range. These results indicate wind tunnel noise affects the average laminar skin friction much less than it affects boundary layer transition. Data on the onset, extent, and end of boundary layer transition are summarized. Application of a procedure for studying the relative effects of varying nose radius on a ten degree cone at supercritical speeds indicates that increasing nose radius promotes boundary layer transition and separation of laminar boundary layers.

Reed, T. D.↗

Theoretical and experimental demonstration of the relationship between microstructure and the DC-bias-superposition characteristic of ferrite materials

Highlights: • We proved how to improve DC-bias-superposition characteristic of ferrites. • We confirmed the correctness of the theoretical result by experiment. • This research provides a good guide for developing more stable ferrites. - Abstract: DC-bias superposition is important for ferrite materials used in power components. However, methods of improving this characteristic of ferrites have not yet been clearly established. In this study, we theoretically prove that a ferrite with high intrinsic permeability composition and thick grain-boundary microstructure provides better DC-bias superposition than a ferrite with low intrinsic-permeability composition and thin grain-boundary microstructure given the same permeability. We then validate the theoretical results by experiments. Results can guide the development of ferrite materials while considering permeability and stability for the improvement of DC-bias superposition.

36 MATERIALS SCIENCE↗

Report of the panel on theoretical aerodynamics

Interactions between theoretical aerodynamics and the NTF are discussed. The development and validation of computational fluid dynamics computer codes, the determination of Reynolds number scaling laws, and extension of the data bases of entrainment type turbulence models to include high Reynolds number data are recommended areas of study. The major benefit theoretical aerodynamics could have on the NTF is in the quantitative description of wind tunnel wall interference effects.

South, J. C., Jr.↗

Molecular Composition Analysis of Distant Targets

This document is the Final Report for NASA Innovative Advanced Concepts (NIAC) Phase I Grant 15-NIAC16A-0145, titled Molecular Composition Analysis of Distant Targets. The research was focused on developing a system concept for probing the molecular composition of cold solar system targets, such as Asteroids, Comets, Planets and Moons from a distant vantage, for example from a spacecraft that is orbiting the target (Hughes et al., 2015). The orbiting spacecraft is equipped with a high-power laser, which is run by electricity from photovoltaic panels. The laser is directed at a spot on the target. Materials on the surface of the target are heated by the laser beam, and begin to melt and then evaporate, forming a plume of asteroid molecules in front of the heated spot. The heated spot glows, producing blackbody illumination that is visible from the spacecraft, via a path through the evaporated plume. As the blackbody radiation from the heated spot passes through the plume of evaporated material, molecules in the plume absorb radiation in a manner that is specific to the rotational and vibrational characteristics of the specific molecules. A spectrometer aboard the spacecraft is used to observe absorption lines in the blackbody signal. The pattern of absorption can be used to estimate the molecular composition of materials in the plume, which originated on the target. Focusing on a single spot produces a borehole, and shallow subsurface profiling of the targets bulk composition is possible. At the beginning of the Phase I research, the estimated Technology Readiness Level (TRL) of the system was TRL-1. During the Phase I research, an end-to-end theoretical model of the sensor system was developed from first principles. The model includes laser energy and optical propagation, target heating, melting and evaporation of target material, plume density, thermal radiation from the heated spot, molecular cross section of likely asteroid materials, and estimation of the absorption profile at a distant spectrometer. Results obtained by executing simulations based on the model provide compelling evidence that the concept of remote laser evaporative molecular absorption spectroscopy is feasible. In this document, technical details of the model are presented, and results of simulations are described that indicate the utility of the proposed sensor system. Additionally, an asteroid rendezvous mission is analyzed, with a survey of system requirements to accomplish molecular composition analysis of the asteroid. Based on positive theoretical results obtained during Phase I, the estimated TRL of the system is now TRL-2. This document also describes potential future research and experimentation that could push the system to TRL-4 within 2 years. Steps required for construction of a laboratory prototype are described. An experiment to test predictions of the theory is described, based on the laboratory prototype setup.

asteroid↗

An overview of the NASA Advanced Propulsion Concepts program

NASA Advanced Propulsion Concepts (APC) program for the development of long-term space propulsion system schemes is managed by both NASA-Lewis and the JPL and is tasked with the identification and conceptual development of high-risk/high-payoff configurations. Both theoretical and experimental investigations have been undertaken in technology areas deemed essential to the implementation of candidate concepts. These APC candidates encompass very high energy density chemical propulsion systems, advanced electric propulsion systems, and an antiproton-catalyzed nuclear propulsion concept. A development status evaluation is presented for these systems.

Curran, Francis M.↗

Software Development for Data Visualization and Analysis of PN-Diodes & MOSFET Devices

The U.S. Department of Energy has a broad mission to ensure the nation’s security by addressing ongoing environmental challenges, developing novel energy production technologies, and mitigating nuclear security concerns. These efforts benefit from developing more effective semiconductor materials and devices. The research discussed in this report aims to further the development of these new electronics by improving implementations of vertical device structures, which offer theoretically better performance compared to lateral structures. Specifically, it reviews the background and development of a new and easy-to-use program for data processing and analysis from experiments run on vertical gallium nitride power devices. Current vertical structures fall short in critical performance metrics, such as On-Resistance and Breakdown Voltage, due to poor management of the device’s electric field. Junction termination extensions, or JTEs, are a field management technique that increases a device’s resilience to expected failure modes by controlling its surface electric fields. Each JTE design requires significant experimental validation, consisting of hundreds of tested devices, each outputting an enormous set of data points. The new software includes multiple methods of filtering large sets of device testing data to identify and remove flawed devices, automate device analyses, and provide statistical breakdowns for four metrics used to define the effectiveness of the JTE and the current carrying capacity of the device. These results can then be related back to fabrication techniques and device design, and in the future, be combined with processing simulations to further improve our understanding of the JTE mechanisms.

97 MATHEMATICS AND COMPUTING↗

Streamlining algorithms for complete adaptation

For purposes of the adaptive-wall algorithms to be described, the modern era is considered to have begun with the simultaneous, independent recognition of the concept of matching an experimental inner flow across an interface to a computed outer flow by Chevallier, Ferri, Goodyer, Lissaman, Rubbert, and Sears. Fundamental investigations of the adaptive-wall matching concept by means of numerical simulations and theoretical considerations are described. An overview of the development and operation of 2D adaptive-wall facilities from about 1970 until the present is given, followed by similar material for 3D adaptive-wall facilities from approximately 1978 until the present. A general formulation of adaptation strategy is presented, with a theoretical basis for adaptation followed by 2D flexible, impermeable-wall applications; 2D ventilated-wall applications; 3D flexible, impermeable-wall applications; and 3D ventilated-wall applications. Representative experimental and 3D results are given, with 2D, followed by a discussion of limitations and open questions.

Erickson, J. C., Jr.↗

Glass-Bonded Monazite Waste Forms for Lanthanide and Actinide Immobilization: From Theoretical Design to Scale-Up Production and Characterization

The development of nuclear waste forms for both existing and future nuclear wastes is critical to ensuring global environmental safety. This study focuses on waste management from molten salt reactors, where fuel exists in a salt form and could be processed in real time for the removal of neutron poisons such as xenon isotopes (e.g., 135 Xe) and rare earth elements (REEs, e.g., 149 Sm). To ensure safe, stable, and long-term disposal in geological repositories, REEs must be incorporated into a durable waste form. Iron-phosphate glasses are a promising candidate due to their low melting points, high chemical durability, and their ability to incorporate high concentrations of REEs. In this study, we successfully prepared iron-phosphate glass waste forms with high Nd loadings (up to 37 mass %) in batch sizes ranging from small (23 g) to large (1600 g). The resulting materials contained up to 75 mass % NdPO 4 , contributing to their mechanical resilience and exceptional chemical durability. These findings highlight the potential of iron-phosphate glasses as high-efficiency, chemically durable waste forms and demonstrate the successful transition from theoretical design to scaled-up production.

amorphous materials↗

TMD Handbook

This handbook provides a comprehensive review of transverse-momentum-dependent parton distribution functions and fragmentation functions, commonly referred to as transverse momentum distributions (TMDs). TMDs describe the distribution of partons inside the proton and other hadrons with respect to both their longitudinal and transverse momenta. They provide unique insight into the internal momentum and spin structure of hadrons, and are a key ingredient in the description of many collider physics cross sections. Understanding TMDs requires a combination of theoretical techniques from quantum field theory, nonperturbative calculations using lattice QCD, and phenomenological analysis of experimental data. The handbook covers a wide range of topics, from theoretical foundations to experimental analyses, as well as recent developments and future directions. It is intended to provide an essential reference for researchers and graduate students interested in understanding the structure of hadrons and the dynamics of partons in high energy collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Development of lithium-thionyl chloride batteries for Centaur

Lithium thionyl chloride (LiSOCl2) primary cells and batteries have received considerable attention over the last several years because of their high theoretical specific energy and energy density. The objective was to develop a 300 wh/kg cell capable of safe operation at C/2 rate and active storage life for 5 to 10 years. This technology would replace other primary cell technologies in NASA applications mainly the silver zinc (AgZn) batteries presently in use. The LiSOCl2 system exceeds the capabilities of the AgZn in terms of specific energy of 300 wh/kg (compared with 100 wh/kg for AgZn), active storage life of 10 to 20 times the 3 to 6 months active storage and has a significantly lower projected cost.

Halpert, Gerald↗

A communication channel model of the software process

Reported here is beginning research into a noisy communication channel analogy of software development process productivity, in order to establish quantifiable behavior and theoretical bounds. The analogy leads to a fundamental mathematical relationship between human productivity and the amount of information supplied by the developers, the capacity of the human channel for processing and transmitting information, the software product yield (object size), the work effort, requirements efficiency, tool and process efficiency, and programming environment advantage. Also derived is an upper bound to productivity that shows that software reuse is the only means than can lead to unbounded productivity growth; practical considerations of size and cost of reusable components may reduce this to a finite bound.

Tausworthe, R. C.↗

Development of lithium-thionyl chloride batteries for Centaur

Lithium thionyl chloride (LiSOCl2) primary cells and batteries have received considerable attention over the last several years because of their high theoretical specific energy and energy density. The objective was to develop a 300 wh/kg cell capable of safe operation at C/2 rate and active storage life for 5 to 10 years. This technology would replace other primary cell technologies in NASA applications mainly the silver zinc (AgZn) batteries presently in use. The LiSOCl2 system exceeds the capabilities of the AgZn in terms of specific energy of 300 wh/kg (compared with 100 wh/kg for AgZn), active storage life of 10 to 20 times the 3 to 6 months active storage and has a significantly lower projected cost.

Halpert, Gerald↗

Fifteen Years of Laboratory Astrophysics at Ames

Tremendous strides have been made in our understanding of interstellar material over the past fifteen years thanks to significant, parallel developments in two closely related areas: observational astronomy and laboratory astrophysics. Fifteen years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon-rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In the dense ISM, these cold dust particles are coated with mixed-molecular ices whose compositions are very well known. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by early interstellar chemistry standards, is widespread throughout the ISM. This great progress has only been made possible by the close collaboration of laboratory experimentalists with observers and theoreticians, all with the goal of applying their skills to astrophysical problems of direct interest to NASA programs. Such highly interdisciplinary collaborations ensure fundamental, in depth coverage of the wide-ranging challenges posed by astrophysics. These challenges include designing astrophysically focused experiments and data analysis, tightly coupled with astrophysical searches spanning 2 orders of magnitude in wavelength, and detailed theoretical modeling. The impact of our laboratory has been particularly effective as there is constant cross-talk and feedback between quantum theorists; theoretical astrophysicists and chemists; experimental physicists; organic, physical and petroleum chemists; and infrared and UV/Vis astronomers. In this paper, two examples of the Ames Program will be given. We have been involved in identifying 9 out of the 14 interstellar pre-cometary ice species known, determined their abundances and the physical nature of the ice structure. Details on our ice work are given in the paper by Sandford et al. Our group is among the pioneers of the PAH model. We built the theoretical framework, participated in the observations and developed the experimental techniques needed to test the model. We demonstrated that the ubiquitous infrared emission spectrum associated with many interstellar objects can be matched by laboratory spectra of neutral and positively charged PAHs and that PAHs were excellent candidates for the diffuse interstellar band (DIB) carriers. See Salama et al. and Hudgins et al.

Allamandola, L. J.↗

Research needs in ocean color data analysis

The success of the effort to extract several subsurface oceanographic parameters from remotely sensed ocean color data will depend to a great extent upon the existence of adequate theoretical models relating the desired oceanographic parameters to the upwelling radiances to be observed. In order to guide the development of these models, and to check their accuracies, a considerable amount of experimental work must be performed. The theoretical and experimental work needed to develop techniques for the quantitative analysis of satellite ocean color data is described.

Mccluney, W. R.↗