Search NASA⌕ Search

SEARCH · Search NASA

Results for “Guiding Principles”

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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Guided anisotropic oxygen transport in vacancy ordered oxides

Abstract Anisotropic and efficient transport of ions under external stimuli governs the operation and failure mechanisms of energy-conversion systems and microelectronics devices. However, fundamental understanding of ion hopping processes is impeded by the lack of atomically precise materials and probes that allow for the monitoring and control at the appropriate time- and length- scales. In this work, using in-situ transmission electron microscopy, we directly show that oxygen ion migration in vacancy ordered, semiconducting SrFeO 2.5 epitaxial thin films can be guided to proceed through two distinctly different diffusion pathways, each resulting in different polymorphs of SrFeO 2.75 with different ground electronic properties before reaching a fully oxidized, metallic SrFeO 3 phase. The diffusion steps and reaction intermediates are revealed by means of ab-initio calculations. The principles of controlling oxygen diffusion pathways and reaction intermediates demonstrated here may advance the rational design of structurally ordered oxides for tailored applications and provide insights for developing devices with multiple states of regulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Chiral molecules and the electron spin

The electron’s spin is necessary to the stability of matter, and control over the spin opens up avenues for manipulating the properties of molecules and materials. The Pauli exclusion principle requires that two electrons in a single spatial eigenstate have opposite spins, and this fact dictates basic features of atomic states and chemical bond formation. The energy associated with interacting electron clouds changes with their relative spin orientation, and by manipulating the spin directions, one can guide chemical transformations. However, controlling the relative spin orientation of electrons located on two reactants (atoms, molecules or surfaces) has proved challenging. Recent developments based on the chiral-induced spin selectivity (CISS) effect show that the spin orientation is linked to molecular symmetry and can be controlled in ways not previously imagined. For example, the combination of chiral molecules and electron spin opens up a new approach to (enantio)selective chemistry. Our Review describes the theoretical concepts underlying the CISS effect and illustrates its importance by discussing some of its manifestations in chemistry, biology and physics. Specifically, we discuss how the CISS effect allows for efficient long-range electron transfer in chiral molecules and how it affects biorecognition processes. Several applications of the effect are presented, and the importance of controlling relative spin orientations in multi-electron processes, such as electrochemical water splitting, is emphasized. We describe the enantiospecific interaction between ferromagnetic substrates and chiral molecules and how it enables the separation of enantiomers with ferromagnets. Lastly, we discuss the relevance of CISS effects to biological electron transfer, enantioselectivity and CISS-based spintronics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Vapor deposition rate modifies anisotropic glassy structure of an anthracene-based organic semiconductor

We control the anisotropic molecular packing of vapor-deposited glasses of ABH113, a deuterated anthracene derivative with promise for future organic light emitting diode materials, by changing the deposition rate and substrate temperature at which they are prepared. We find that at substrate temperatures from 0.65 T g to 0.92 T g , the deposition rate significantly modifies the orientational order in the vapor-deposited glasses as characterized by x-ray scattering and birefringence. Both measures of anisotropic order can be described by a single deposition rate–substrate temperature superposition (RTS). This supports the applicability of the surface equilibration mechanism and generalizes the RTS principle from previous model systems with liquid crystalline order to non-mesogenic organic semiconductors. We find that vapordeposited glasses of ABH113 have significantly enhanced density and thermal stability compared to their counterparts prepared by liquidcooling. For organic semiconductors, the results of this study provide an efficient guide for using the deposition rate to prepare stable glasses with controlled molecular packing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Pre-Flight Dark Forward Electrical Testing of the Mir Cooperative Solar Array

The Mir Cooperative Solar Array (MCSA) was developed jointly by the United States (US) and Russia to provide approximately 6 kW of photovoltaic power to the Russian space station Mir. After final assembly in Russia, the MCSA was shipped to the NASA Kennedy Space Center (KSC) in the summer of 1995 and launched to Mir in November 1995. Program managers were concerned of the potential for MCSA damage during the transatlantic shipment and the associated handling operations. To address this concern, NASA Lewis Research Center (LERC) developed an innovative dark-forward electrical test program to assess the gross electrical condition of each generator following shipment from Russia. The use of dark test techniques, which allow the array to remain in the stowed configuration, greatly simplifies the checkout of large area solar arrays. MCSA dark electrical testing was successfully performed at KSC in July 1995 following transatlantic shipment. Data from this testing enabled engineers to quantify the effects of potential MCSA physical damage that would degrade on-orbit electrical performance. In this paper, an overview of the principles and heritage of photovoltaic array dark testing is given. The specific MCSA dark test program is also described including the hardware, software, testing procedures and test results. The current-voltage (4) response of both solar cell circuitry and by-pass diode circuitry was obtained. To guide the development of dark test hardware, software and procedures, a dedicated FORTRAN computer code was developed to predict the dark 4 responses of generators with a variety of feasible damage modes. By comparing the actual test data with the predictions, the physical condition of the generator could be inferred. Based on this data analysis, no electrical short-circuits or open-circuits were detected. This suggested the MCSA did not sustain physical damage that affected electrical performance during handling and shipment from Russia to the US. Good agreement between the test data and computational predictions indicated MCSA electrical performance was amenable to accurate analysis and was well understood.

Kerslake, Thomas W.↗
DOE OSTI2025

Discovering Ni/Cu Single-Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study

Direct methane conversion to liquid fuels or value-added chemicals is a promising technology to utilize natural resources without resorting to further petroleum extraction. However, discovering efficient catalysts for this reaction is challenging due to either coke formation or unfavorable C-H bond activation. Herein, we design single-atom alloy (SAA) catalysts to simultaneously eliminate the above two bottlenecks based on mechanism-guided strategies: (1) the active single atom enables favorable C-H bond breaking and (2) the less reactive host metal facilitates C-C coupling and thus avoids strong binding of carbonaceous species. Employing electronic structure theory calculations, we screened the stability of multiple SAAs with 3d-5d transition metals atomically dispersed on a copper surface in terms of avoiding dopant aggregation and segregation. We then evaluated reactivities of the stable SAAs as catalysts for direct methane conversion to C2 products, including methane dehydrogenation and C-C coupling mechanisms. Combining selectivity analysis with kinetic modeling, we predicted that nickel dispersed on copper, i.e., Ni/Cu SAA, is a highly active and selective catalyst that can efficiently transform methane to ethylene. This work designs efficient SAA catalysts for direct methane activation and provides chemical insights into engineering compositions of SAAs to tune their catalytic performances.

Kothakonda, Manish↗
NASA NTRS1978

Theory of flux anisotropies in a guiding center plasma

The one particle distribution function f on the scale of the bounce motion of particles in a magnetic field B is considered. The Vlasov equation is expanded through O(epsilon) in the adiabatic parameter which is the ratio of particle gyroradius to scale length of the magnetic field. Because f is directly proportional to particle flux differential in kinetic energy and solid angle, f is in principle measurable in space experiments, and the analysis is tailored to be explicitly applicable to space problems. To O(1), f is gyrotropic; its first velocity moment is (if non-vanishing) parallel to B, and hence macroscopic parallel flow is included in this term. The O(epsilon) contribution is non-gyrotropic and macroscopic flow parallel to B plus additional parallel flow results from these terms. The degree of non-gyrotropy and the amount of cross-field macroscopic flow depend on the perpendicular component of the electric field, on curvature and shear in the magnetic field, and on the spatial gradient, pitch angle derivative, and speed derivative of the lowest order distribution function.

Birmingham, T. J.↗
NASA NTRS1991

Engineering derivatives from biological systems for advanced aerospace applications

The present study consisted of a literature survey, a survey of researchers, and a workshop on bionics. These tasks produced an extensive annotated bibliography of bionics research (282 citations), a directory of bionics researchers, and a workshop report on specific bionics research topics applicable to space technology. These deliverables are included as Appendix A, Appendix B, and Section 5.0, respectively. To provide organization to this highly interdisciplinary field and to serve as a guide for interested researchers, we have also prepared a taxonomy or classification of the various subelements of natural engineering systems. Finally, we have synthesized the results of the various components of this study into a discussion of the most promising opportunities for accelerated research, seeking solutions which apply engineering principles from natural systems to advanced aerospace problems. A discussion of opportunities within the areas of materials, structures, sensors, information processing, robotics, autonomous systems, life support systems, and aeronautics is given. Following the conclusions are six discipline summaries that highlight the potential benefits of research in these areas for NASA's space technology programs.

Winfield, Daniel L.↗
NASA NTRS1996

The cerebellum: a neuronal learning machine?

Comparison of two seemingly quite different behaviors yields a surprisingly consistent picture of the role of the cerebellum in motor learning. Behavioral and physiological data about classical conditioning of the eyelid response and motor learning in the vestibulo-ocular reflex suggests that (i) plasticity is distributed between the cerebellar cortex and the deep cerebellar nuclei; (ii) the cerebellar cortex plays a special role in learning the timing of movement; and (iii) the cerebellar cortex guides learning in the deep nuclei, which may allow learning to be transferred from the cortex to the deep nuclei. Because many of the similarities in the data from the two systems typify general features of cerebellar organization, the cerebellar mechanisms of learning in these two systems may represent principles that apply to many motor systems.

Non-NASA Center↗
NASA NTRS2011

TBCC Discipline Overview. Hypersonics Project

The "National Aeronautics Research and Development Policy" document, issued by the National Science and Technology Council in December 2006, stated that one (among several) of the guiding objectives of the federal aeronautics research and development endeavors shall be stable and long-term foundational research efforts. Nearly concurrently, the National Academies issued a more technically focused aeronautics blueprint, entitled: the "Decadal Survey of Civil Aeronautics - Foundations for the Future." Taken together these documents outline the principles of an aeronautics maturation plan. Thus, in response to these overarching inputs (and others), the National Aeronautics and Space Administration (NASA) organized the Fundamental Aeronautics Program (FAP), a program within the NASA Aeronautics Research Mission Directorate (ARMD). The FAP initiated foundational research and technology development tasks to enable the capability of future vehicles that operate across a broad range of Mach numbers, inclusive of the subsonic, supersonic, and hypersonic flight regimes. The FAP Hypersonics Project concentrates on two hypersonic missions: (1) Air-breathing Access to Space (AAS) and (2) the (Planetary Atmospheric) Entry, Decent, and Landing (EDL). The AAS mission focuses on Two-Stage-To-Orbit (TSTO) systems using air-breathing combined-cycle-engine propulsion; whereas, the EDL mission focuses on the challenges associated with delivering large payloads to (and from) Mars. So, the FAP Hypersonic Project investments are aligned to achieve mastery and intellectual stewardship of the core competencies in the hypersonic-flight regime, which ultimately will be required for practical systems with highly integrated aerodynamic/vehicle and propulsion/engine technologies. Within the FAP Hypersonics, the technology management is further divided into disciplines including one targeting Turbine-Based Combine-Cycle (TBCC) propulsion. Additionally, to obtain expertise and support from outside (including industry and academia) the hypersonic uses both NASA Research Announcements (NRAs) and a jointly sponsored, Air Force Office of Scientific Research and NASA, National Hypersonic Science Center that are focused on propulsion research. Finally, these two disciplines use selected external partnership agreements with both governmental agencies and industrial entities. The TBCC discipline is comprised of analytic and experimental tasks, and is structured into the following two research topic areas: (1) TBCC Integrated Flowpath Technologies, and (2) TBCC Component Technologies. These tasks will provide experimental data to support design and analysis tool development and validation that will enable advances in TBCC technology.

Thomas, Scott R.↗
DOE OSTI2026

Controlled expansion for pairing in a polarized band with strong repulsion

Can strong repulsive interactions be shown to give rise to pairing in a controlled way? We find that for a single flavor polarized band, there is a small expansion parameter in the low density limit, once the Bloch wavefunction form factor is taken into account. A perturbative expansion is possible, even if the interaction is much stronger than the Fermi energy ε F . As a matter of principle, our work shows analytically how strong pairing can emerge from strong repulsion. Here, we illustrate our method with two examples: a 2D Dirac model and a 1D tight binding model with two orbitals. In the latter case, using density matrix renormalization group, we show that the analytical theory indeed guided us to discover the parameter regime where p-wave pairing with order-1 strength is dominant.

Ferromagnetic superconductors↗
DOE OSTI2018

Two-Scale 13 C Metabolic Flux Analysis for Metabolic Engineering

Accelerating the Design-Build-Test-Learn (DBTL) cycle in synthetic biology is critical to achieving rapid and facile bioengineering of organisms for the production of, e.g., biofuels and other chemicals. The Learn phase involves using data obtained from the Test phase to inform the next Design phase. As part of the Learn phase, mathematical models of metabolic fluxes give a mechanistic level of comprehension to cellular metabolism, isolating the principle drivers of metabolic behavior from the peripheral ones, and directing future experimental designs and engineering methodologies. Furthermore, the measurement of intracellular metabolic fluxes is specifically noteworthy as providing a rapid and easy-to-understand picture of how carbon and energy flow throughout the cell. Here, we present a detailed guide to performing metabolic flux analysis in the Learn phase of the DBTL cycle, where we show how one can take the isotope labeling data from a 13 C labeling experiment and immediately turn it into a determination of cellular fluxes that points in the direction of genetic engineering strategies that will advance the metabolic engineering process.For our modeling purposes we use the Joint BioEnergy Institute (JBEI) Quantitative Metabolic Modeling (jQMM) library, which provides an open-source, python-based framework for modeling internal metabolic fluxes and making actionable predictions on how to modify cellular metabolism for specific bioengineering goals. It presents a complete toolbox for performing different types of flux analysis such as Flux Balance Analysis, 13 C Metabolic Flux Analysis, and it introduces the capability to use 13 C labeling experimental data to constrain comprehensive genome-scale models through a technique called two-scale 13 C Metabolic Flux Analysis (2S- 13 C MFA) [1]. In addition to several other capabilities, the jQMM is also able to predict the effects of knockouts using the MoMA and ROOM methodologies. The use of the jQMM library is illustrated through a step-by-step demonstration, which is also contained in a digital Jupyter Notebook format that enhances reproducibility and provides the capability to be adopted to the user's specific needs. As an open-source software project, users can modify and extend the code base and make improvements at will, providing a base for future modeling efforts.

13C Metabolic flux analysis↗
NASA NTRS2018

The Hitomi X-Ray Observatory, Part 2

When it was launched on 17 February 2016, the Hitomi X-ray Observatory carried four kinds of new-generation x-ray instruments—the Soft X-ray Spectrometer (SXS), the Soft X-ray Imager (SXI), the Hard X-ray Imager (HXI), and the Soft Gamma-ray Detector (SGD). All four instruments were turned on and were in the process of activation at the time of loss of contact on 26 March 2016. In the time it was operational, Hitomi was able to provide researchers with a trove of ground-breaking scientific results. Initial results demonstrated that the instruments were meeting or exceeding requirements and that Hitomi was on its way to pioneering a new era of broad-band and high-resolution x-ray spectroscopy. The results published here summarize the in-flight instrument performance, calibration, and data processing accomplishments of the observatory. Of the papers accepted for publication in this special section, 17 were presented in Part 1 in the January-March 2018 issue of JATIS (Journal of Astronomical Telescopes, Instruments, and Systems). Ten more papers are presented here as Part 2 in the April-June 2018 issue. These papers cover the detailed in-flight performance of the four state-of the-art instruments on-board the Hitomi X-Ray Observatory. These instruments were extremely diverse in their design and principles of operation, ranging from low temperature x-ray calorimeters for high-resolution spectroscopy, CCDs (Charge-Coupled Devices) for wide field imaging, high fill-factor grazing incidence x-ray optics, including multilayer x-ray optics and silicon strip and CdTe strip detectors for high-energy imaging, and a Si/CdTe Compton cameras for extending the bandpass out to 600 kiloelectronvolts. All of these instruments operated as expected and for sufficient time to validate their operating principles and carry out first light scientific investigations, published elsewhere. Collectively, these instruments, all co-aligned and operated simultaneously, provided a tool for astronomers with unprecedented resolution and broadband sensitivity for investigating high-energy processes throughout the universe. These papers serve as part of the Hitomi legacy and will guide the next generation of instruments planned for future missions.

Kelley, Richard L.↗
NASA NTRS1979

Theory of flux anisotropies in a guiding center plasma

Assuming time stationarity of the one-particle distribution function f on the scale of the bounce motion of particles in a magnetic field, the paper expands the Vlasov equation through O(epsilon) in the adiabatic parameter epsilon, which is the ratio of particle gyroradius to scale length of the magnetic field. Since f is directly proportional to particle flux differential in kinetic energy and solid angle, f is in principle measurable in space experiments, and the present analysis is tailored to be explicitly applicable to space problems. It is shown that the usual expression for the electric field which produces plasma corotation in an axisymmetric system such as a dipole also holds for any nonaxisymmetric but rigidly rotating magnetic field pattern, provided the observed magnetic field is used in place of the dipole field. The analysis is applied to the electric field in a rigidly corotating magnetosphere.

Birmingham, T. J.↗
DOE OSTI2019

The partial reduction of clean and doped alpha-Fe2O3(0001) from first principles

Fe surfaces have a wide range of applications due to the ability of Fe to be present in a number of different oxidation states, which can be further influenced by the presence of dopants that change the energetic and electronic surface properties. Thus, having an understanding of the elementary reduction processes of clean Fe oxide surfaces, and how dopants affect the energetics and electronics of such processes, is crucial to the science-guided design and optimization of said surfaces. In this work, we use density functional theory (DFT) to investigate the partial reduction of a-Fe2O3(0001) in the absence and presence of Pd and Pt dopants. In order to account for the strong on-site Coulombic interactions present in transition metal oxides, we used both the DFT?+?U method and 2006 Heyd-Scuseria-Ernzerhof functional and compare the results obtained from the different methods. We find that oxygen vacancies created in the clean a-Fe2O3(0001) surface prefer to diffuse into a subsurface layer, with the charge left behind from the first surface oxygen vacancy distributing between all of the near surface Fe atoms. The addition of Pd or Pt to the a-Fe2O3(0001) surface significantly decreases the energy required to create the first surface oxygen vacancy, suggesting the dopants intrinsically promote the reduction of a-Fe2O3(0001). Additionally, the presence of the dopants caused the charge left behind by the creation of the first surface oxygen vacancy to be localized on the dopant itself as well as the highest Fe atom. Overall, this work provides insight into the elementary energetic and electronic properties of the fully oxidized and partially reduced a-Fe2O3(0001) surface in the absence and presence of Pd and Pt dopants, which has potential implications for the design and optimization of doped Fe oxide surfaces.

Hensley, Alyssa↗
DOE OSTI2026

Design Principles for the Synthesis of Self-Pillared ZSM-5 Zeolite Nanosheets

The design of next-generation materials for emerging energy and environmental applications heavily relies on empirical approaches to direct nonclassical nucleation and crystal growth pathways, polymorphism, intercrystalline transformations, and seed-assisted growth processes. A long-standing obstacle to nanoporous materials design is the complexity of their crystallization, which hinders the development of predictive models and/or physical descriptors that can guide their synthesis. In this study, we use a combination of state-of-the-art synthesis, characterization, and computational design to prepare hierarchical MFI-type zeolites, which we couple with benchmark catalytic testing to assess structure-property-performance relationships. These hierarchical materials are intergrowths of two commercially relevant zeolite frameworks, MFI and MEL, prepared as self-pillared pentasil (SPP) zeolites through seed-assisted, organic-free syntheses for which little theoretical guidance existed. Here, by comparing a large library of zeolite seeds with different pore sizes, dimensions, and structural composite building units, we determined the relative impact of seed and silica source selection, among other synthesis variables. Combined experimental and computational studies are used to test several hypotheses in literature to rationalize the choice of seed structure and establish a more robust selection criteria for seed-assisted synthesis of zeolites. Specifically, we show that a data-driven approach to develop structural descriptors correlates to new, facile routes to rationally design SPP zeolites, addressing knowledge gaps in the fundamental understanding of (non)classical crystal growth mechanisms that are characteristic of nanoporous aluminosilicates.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Assessment of Impact of Monoenergetic Photon Sources on Prioritized Nonproliferation Applications: Simulation Study Report

Near-monoenergetic photon sources (MPSs) have the potential to improve sensitivity at greatly reduced dose in existing applications and enable new capabilities in other applications. MPS advantages include the ability to select energy, energy spread, flux, and pulse structures to deliver only the photons needed for the application, while suppressing extraneous dose and background. Some MPSs also offer narrow divergence photon beams which can target dose and/or mitigate scattering contributions to image contrast degradation. Current broad-band, bremsstrahlung photon sources (e.g., linacs and betatrons) deliver unnecessary dose that in some cases also interferes with the signature to be detected and/or restricts operations, and must be collimated (reducing flux) to generate narrow divergence beams. While MPSs can in principle resolve these issues, they are technically challenging to produce. Candidate MPS technologies for nonproliferation applications are now being developed, each of which have different properties (e.g. broad divergence vs. narrow). Within each technology, source parameters trade off against one another (e.g. flux vs. energy spread), representing a large operation space. To guide development, requirements for each application of interest must be defined and simulations conducted to define MPS parameters that deliver benefit relative to current systems. The present project conducted a broad assessment of potential nonproliferation applications where MPSs may provide new capabilities or significant performance enhancement (reported separately), which led to prioritization of several applications for detailed analysis. The applications prioritized were: cargo screening and interdiction of Special Nuclear Materials (SNM), detection of hidden SNM, treaty/dismantlement verification, and spent fuel dry storage cask content verification. High resolution imaging for stockpile stewardship was considered as a sub-area of the treaty topic, as it is also of interest for future treaty use. This report presents higher-fidelity calculations and modeling results to quantitatively evaluate the prioritized applications, and to derive the key MPS properties that drive application benefit. Simulations focused on the conventional signatures of radiography, photofission, and NRF to enable comparison to present methods and evaluation of benefit.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

Neutrino Flavor Model Building and the Origins of Flavor and CP Violation

The neutrino sector offers one of the most sensitive probes of new physics beyond the Standard Model of Particle Physics (SM). The mechanism of neutrino mass generation is still unknown. The observed suppression of neutrino masses hints at a large scale, conceivably of the order of the scale of a rand unified theory (GUT), which is a unique feature of neutrinos that is not shared by the charged fermions. The origin of neutrino masses and mixing is part of the outstanding puzzle of fermion masses and mixings, which is not explained ab initio in the SM. Flavor model building for both quark and lepton sectors is important in order to gain a better understanding of the origin of the structure of mass hierarchy and flavor mixing, which constitute the dominant fraction of the SM parameters. Recent activities in neutrino flavor model building based on non-Abelian discrete flavor symmetries and modular flavor symmetries have been shown to be a promising direction to explore. The emerging models provide a framework that has a significantly reduced number of undetermined parameters in the flavor sector. In addition, such a framework affords a novel origin of CP violation from group theory due to the intimate connection between physical CP transformation and group theoretical properties of non-Abelian discrete groups. Model building based on non-Abelian discrete flavor symmetries and their modular variants enables the particle physics community to interpret the current and anticipated upcoming data from neutrino experiments. Non-Abelian discrete flavor symmetries and their modular variants can result from compactification of a higher-dimensional theory. Pursuit of flavor model building based on such frameworks thus also provides the connection to possible UV completions: in particular, to string theory. We emphasize the importance of constructing models in which the uncertainties of theoretical predictions are smaller than, or at most compatible with, the error bars of measurements in neutrino experiments. While there exist proof-of-principle versions of bottom-up models in which the theoretical uncertainties are under control, it is remarkable that the key ingredients of such constructions were discovered first in top-down model building. We outline how a successful unification of bottom-up and top-down ideas and techniques may guide us towards a new era of precision flavor model building in which future experimental results can give us crucial insights into the UV completion of the SM.

Almumin, Yahya (ORCID:0000000196396772)↗