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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

First-principles calculation of ballistic current from electron-hole interaction

The bulk photovoltaic effect (BPVE) has attracted increasing interest due to its potential to overcome the efficiency limit of traditional photovoltaics, and much effort has been devoted to understanding its underlying physics. However, previous work has shown that theoretical models of the shift current and the phonon-assisted ballistic current in real materials do not fully account for the experimental BPVE photocurrent, so other mechanisms should be investigated in order to obtain a complete picture of BPVE. As such, in this paper, we demonstrate two approaches that enable the ab initio calculation of the ballistic current originating from the electron-hole interaction in semiconductors. Using BaTiO 3 and monolayer MoS 2 as two examples, we show clearly that for them the asymmetric scattering from an electron-hole interaction is less appreciable than that from an electron-phonon interaction, indicating more scattering processes need to be included to further improve the BPVE theory. Moreover, we provide a first-principles approach for material prediction and design in order to search for materials with a larger ballistic current due to electron-hole interactions.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

AgMIP Local, National and Global Assessments of Food System Challenges in A Changing Climate

Food systems connect a diverse network of stakeholders around the world, with complex dynamics governing production, processing, transportation, trade and consumption of food products. Extreme conditions can disrupt multiple components of the food system, with systemic connections providing structure that can both buffer and exacerbate risks. Climate change is shifting current practices in agricultural production and the broader food system, encouraging shifts toward more diverse value chains capable of drawing from multiple food producing regions to reduce the chance that an entire value chain be subject to simultaneous impacts. The IPCC Working Group I report assessed that heat waves, fires, floods and severe storms are becoming more pronounced and widespread with each degree of global warming, increasing food system risk. Food system disruptions can also come from outside the climate system, including from viral outbreaks, geopolitical conflict and socioeconomic changes. This presentation will highlight how the Agricultural Model Intercomparison and Improvement Project (AgMIP) develops modeling approaches that connect climate, biophysical and socioeconomic models in order to capture complex responses of the food system and potential interventions by diverse stakeholders in the public and private sectors. Models are applied on a range of scales that match decision contexts. These include households in specific agricultural production regions (e.g., within a country), national-level policymakers considering policies, sustainability and development priorities for a country’s agricultural sector, and global food market models that balance production and consumption around the world with competition for land, water, energy and sustainability priorities. Models are capable of capturing many important responses, but further development is needed to represent key systemic risks and the possibility for additional interventions beyond the farm gate. Improved food system models will provide important insights into our society’s ability to cope with climate change, as well as our ability to identify agricultural adaptation and mitigation opportunities to reduce overall risk.

Food systems↗
NASA NTRS1980

LeRC reduced gravity fluid management technology program

The program reviewed in the present paper has provided information of the reduced-gravity behavior of fluids, thermal control of cryogenic tankage, and fluid management system design. The studies are currently shifting from the utilization of in-house experimental facilities to the development of Spacelab experiments. The cryogenic fluid management experiment, currently undergoing detailed design, is expected to provide an orbital evaluation of a subcritical liquid hydrogen storage and supply system, as part of the Shuttle/Spacelab program. Efforts are continuing to develop computer techniques for simulating reduced-gravity fluid dynamic processes.

Aydelott, J. C.↗
DOE OSTI2021

Mirror symmetry breaking and lateral stacking shifts in twisted trilayer graphene

Here, we construct a continuum model of twisted trilayer graphene using ab initio density-functional-theory calculations, and we apply it to address twisted trilayer electronic structure. Our model accounts for moiré variation in site energies, hopping between outside layers, and hopping within layers. We focus on the role of a mirror symmetry present in ABA graphene trilayers with a middle layer twist. The mirror symmetry is lost intentionally when a displacement field is applied between layers, and unintentionally when the top layer is shifted laterally relative to the bottom layer. We calculate two band-structure characteristics that are directly relevant to transport measurements, namely the Drude weight and the weak-field Hall conductivity. We relate them via the Hall density to assess the influence of the accidental lateral stacking shifts currently present in all experimental devices on electronic properties. Finally, we comment on the role of the possible importance of accidental lateral stacking shifts for superconductivity in twisted trilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

An electric current associated with gravity sensing in maize roots

The study of gravisensing would be greatly enhanced if physiological events associated with gravity sensing could be detected separately from subsequent growth processes. This report presents a means to discriminate sensing from the growth processes. By using a vibrating probe, we have found an electric current generated by the gravity sensing region of the root cap of maize (Zea mays cv Merit) in response to gravistimulation. On the upper surface of the root cap, the change from the endogenous current has a density of 0.55 microampere per square centimeter away from gravity. The onset of the current shift has a characteristic of lag of three to four minutes after gravistimulation, which corresponds to the presentation time for gravity sensing in this tissue. A description of the current provides some information about the sensing mechanism, as well as being a valuable means to detect gravity sensing independently of differential growth.

NASA Discipline Number 40-10↗
DOE OSTI2025

Symmetry instability induced by topological phase transitions

The symmetry-topology interplay dictates how to define order parameters and classify material ordered phases. However, current understanding of this interplay has been predominately approached from a one-sided perspective, with topological states being classified within the constraints imposed by specific fixed symmetries. Here, in this study, we complete this full circle by demonstrating spontaneous symmetry breaking that results from a periodic alteration of topological phases induced by light in a centrosymmetric Dirac material ZrTe 5 . The distinguishing feature is the observation of robust correlation and striking anomalies in the fluence and temperature dependence of key transport parameters. First, both shift current 𝐽 𝑠 and displacement current 𝐽 𝑑 , arising from interband transition and infrared phonon driving, respectively, along with charge carrier pumping, exhibit similar behaviors. Second, they all peak at similar low pump fluence, followed by a subsequent reduction as the fluence further increases. This behavior cannot be explained by conventional energetically allowed, direct excitations. Third, all the three observables exhibit anomalies when they approach the topological phase transition temperature. These results highlight the unique low-energy pumping behaviors in ZrTe 5 , characterized by reversible fluence dependence and a “hinge-like” interaction that connects various electronic and lattice observables, including phonons, charge carriers, and currents. Our findings, supported by model analysis, provide key insights into the fragility of crystalline (inversion) and time-reversal symmetries during the dynamics of topological phase transitions. This fragility drives spontaneous symmetry breaking, evidenced by the synchronized emergence of off-resonant infrared phonons and broken-symmetry photocurrents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Understanding KOtBu in atomic layer deposition – in situ mechanistic studies of the KNbO3 growth process

Functional coatings based on alkali metals have become increasingly attractive in the current shift towards sustainable technologies. While lithium-based compounds have a natural impact on batteries, other alkali metal compounds are important as replacements for toxic materials in a range of electronic devices. This is especially true for potassium, being a major component in e.g. K x Na 1-x NbO 3 (KNN) and KTa x Nb 1-x O 3 (KTN), with hope to replace Pb(Zr x Ti 1-x )O 3 (PZT) in piezo-/ferroelectric and electrooptic devices. ALD facilitates functional conformal coatings at deposition temperatures far below what is reported using other techniques and with excellent compositional control. The ALD growth of potassium-containing films using KO t Bu has, however, been unpredictable. Untraditional response to the pulse composition and precursor dose, severe reproducibility issues, and very high growth per cycle are some of the puzzling features of these processes. In this article, we shed light on the growth behavior of KO t Bu in ALD by in situ quartz crystal microbalance and Fourier transform infrared spectroscopy studies. We study the precursor's behavior in the technologically interesting KNbO 3 -process, showing how the potassium precursor strongly affects the growth of other cation precursors. We show that the strong hygroscopic nature of the intermediary potassium species has far-reaching implications throughout the growth. This helps not only to enhance the understanding of alkali metal containing compounds’ growth in ALD, but also to provide the means to control the growth of novel sustainable technological materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Recent progress in the theory of bulk photovoltaic effect

The bulk photovoltaic effect (BPVE) occurs in solids with broken inversion symmetry and refers to DC generation due to uniform illumination, without the need of heterostructures or interfaces, a feature that is distinct from the traditional photovoltaic effect. Its existence has been demonstrated almost 50 years ago, but predictive theories only appeared in the last ten years, allowing for the identification of different mechanisms and the determination of their relative importance in real materials. It is now generally accepted that there is an intrinsic mechanism that is insensitive to scattering, called shift current, where first-principles calculations can now give highly accurate predictions. Another important but more extrinsic mechanism, called ballistic current, is also attracting a great deal of attention, but due to the complicated scattering processes, its numerical calculation for real materials is only made possible quite recently. In addition, an intrinsic ballistic current, usually referred to as injection current, will appear under circularly polarized light and has wide application in experiments. In this review, experiments that are pertinent to the theory development are reviewed, and a significant portion is devoted to discussing the recent progress in the theories of BPVE and their numerical implementations. As a demonstration of the capability of the newly developed theories, a brief review of the materials' design strategies enabled by the theory development is given. Finally, remaining questions in the BPVE field and possible future directions are discussed to inspire further investigations.

Dai, Zhenbang (ORCID:0000000333046008)↗
DOE OSTI2024

Impacts of Control, Penetration, and Distribution of Embedded Storage Network in Bulk Power System

The current shift in generation mix from fossil fuel plants towards variable and intermittent renewable energy sources is poised to create a future grid with reduced physical inertia and mismatch between generation and demand. Embedded storage, which is a concept of a coordinated network of storage units sited at the interface between the transmission and distribution system, is proposed as a mechanism to provide a buffer between generation and demand. This paper proposes an automated framework to model and integrate embedded storage in large-scale power systems with industry-grade grid-following (GFL) and grid-forming (GFM) control technologies. More importantly, the developed framework is used to explore the impacts of embedded storage control, penetration, location, and capacity in providing fast frequency response to the grid under contingency events such as generator trips and faults. The framework and study are conducted using the transient-stability simulation tool PSS/E and a realistic model of the Puerto Rico grid as a chosen test system. The simulation results show that GFL and GFM embedded storage, distributed throughout the system, with sufficient penetration and capacity, can effectively improve primary frequency response of the system under the studied contingency events.

Battery Energy Storage, embedded storage, grid-for↗
DOE OSTI2026

Predicted third-order sweet spots for phi-junction Josephson parametric amplifiers

Hybrid superconductor-semiconductor nanowire Josephson junctions exhibit skewed and phi-shifted current phase relations when an in-plane magnetic field is applied along the weak link's spin-orbit effective field direction. These junctions can have an asymmetric Josephson potential with odd-order nonlinearities. A dominant third-order nonlinearity can be achieved by tuning the magnetic field to a sweet spot. Sweet spots persist when higher order Josephson harmonics are included. This makes it possible to have a single Josephson junction dipole element with three-wave mixing capability, which is favorable for pump-efficient amplification. Electrostatic gate tunability of the semiconductor weak link can make it operable within an extended range of working frequencies, and the inclusion of micromagnets can facilitate near-zero magnetic field operation.

Reza, Tasnum [Univ. of Pittsburgh, PA (United Stat↗
DOE OSTI2023

FWP FEAA149: “Next Generation Environmental Barrier Coatings”

Environmental barrier coatings (EBCs) are required coatings for utilization of SiC/SiC ceramic matrix composite (CMC) components in gas turbines, where the EBC represents the life-limiting factor for such components. EBC/CMC systems have shown success in aero-engine applications with increased turbine inlet temperatures and improved efficiencies, which are achieved through higher temperature stability, lower density, and decreased reliance on cooling air compared to traditional superalloys. While industrial gas turbines (IGTs) do not currently utilize SiC/SiC CMCs, the current shift towards low-carbon or carbon-free fuel sources for power generation could result in a need for EBC/CMC components with higher temperature capabilities. In this work, three tasks were outlined to improve understanding of EBC lifetimes to encourage use in IGTs with carbon-free fuel such as hydrogen: 1. Define the bond coating oxidation kinetics and EBC failure criteria, 2. Measure thermal expansion coefficients of each layered material, and 3. Perform advanced characterization and modeling to assess EBC lifetimes. Cyclic steam oxidation tests were conducted on various EBC/Si/SiC chemistries and EBC/SiC architectures to define substrate oxidation kinetics and EBC failure modes. An open-source code was developed to quantify the undulating thermally grown oxide thickness with thousands of measurements from specimen cross-section images. Bond coating oxidation kinetics were determined and used to develop a kinetic and thermodynamic model for predicting EBC lifetimes. High-temperature Raman spectroscopy was utilized for determining the SiO 2 thermally grown oxide phase transformation as the life-limiting feature for EBCs. Model efforts supported the claim that the SiO 2 phase transformation causes elevated stress during thermal cycling with associated cracking that decreases the adhesion strength of the EBC, eventually resulting in coating spallation. The finite element model subroutine will be made publicly available upon internal review. Further development of an EBC lifetime model for IGTs involves definition of a critical SiO 2 thickness for EBC spallation and must also consider both environmental (gas velocity, pressure, etc.) and specimen (EBC dopants, layer architectures, etc.) effects into predicted bond coating oxidation kinetics for long-lifetime components.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Overview of SERI's high efficiency solar cell research

The bulk of the research efforts supported by the Solar Energy Research Institute (SERI) High Efficiency Concepts area has been directed towards establishing the feasibility of achieving very high efficiencies, 30% for concentrator and more than 20% for thin film flat plate, in solar cell designs which could possibly be produced competitively. The research has accomplished a great deal during the past two years. Even though the desired performance levels have not yet been demonstrated, based on the recent progress, a greater portion of the terrestrial photovoltaics community believes that these efficiencies are attainable. The program will now allocate a larger portion of resources to low cost, large area deposition technology. The program is currently shifting greater emphasis on to the study of crystal growth in order to provide the understanding and tools needed to design a large area process.

Benner, J. P.↗
NASA NTRS1985

Parabolic harmonics in magnetospheric modeling - The main dipole and the ring current

A new representation is developed for that portion of the magnetospheric magnetic field which is produced by currents on the magnetopause or outside it. For a magnetopause which is a paraboloid of rotation and which confines all field lines of magnetospheric sources, the fields due to magnetopause currents are derived for two sources, a dipole and a two-parameter model of the ring current, each arbitrarily inclined to the earth-sun line. Methods are also developed for accomodating changes in the size of the magnetospheric cavity and for using nonparaboloidal boundaries, open at the nightside. Neutral points and polar cusps are derived, and in agreement with observations it is found that a growth of the ring current shifts them equatorward. By extrapolation from these results, it is argued that the observation of such shifts during magnetic storms may help resolve the relative importance of two processes proposed for magnetic storms.

Stern, D. P.↗
NASA NTRS1993

Asteroid spectroscopy - Progress and perspectives

A broad understanding of meteorite and asteroidal studies is needed for the most dynamic progress of both disciplines, in their common goal of understanding the origin and early evolution of the solar system. Asteroid compositional investigations are currently shifting from the survey mode to focused investigations of selected targets, in pursuit of specific problems. Attention is presently given the compositional nature and diversity of asteroid taxonomic classes, as addressed by the Small Main-Belt Asteroid Spectroscopic Survey.

Gaffey, Michael J.↗
NASA NTRS2010

4D Dynamic RNP Annual Interim Report-Year 1

This Annual Interim Report summarizes the activities led by Raytheon, in collaboration with GE Aviation and SAIC, and presents the results obtained during the first year of this research effort to expand the RNP concept to 4 dimensions relative to a dynamic frame of reference. Joint Program Development Office (JPDO)Concepts of Operations for the Next Generation Air Transportation System (NextGen) considers 4 Dimension Trajectory (4DT) procedures a key enabler to Trajectory Based Operations (TBO). The JPDO defines 4DT as a precise description of an aircraft path in space and time . While NextGen assumes that this path is defined within an Earth-reference frame, many 4DT procedure implementations will require an aircraft to precisely navigate relative to a moving reference such as another aircraft to form aggregate flows or a weather cell to allow for flows to shift. Current methods of implementing routes and flight paths rely on aircraft meeting a Required Navigation Performance (RNP) specification and being equipped with a monitoring and alerting capability to annunciate when the aircraft system is unable to meet the performance specification required for the operation. Since all aircraft today operate within the NAS relative to fixed reference points, the current RNP definition is deemed satisfactory. However, it is not well understood how the current RNP construct will support NextGen 4DT procedures where aircraft operate relative to each other or to other dynamic frames of reference. The objective of this research effort is to analyze candidate 4DT procedures from both an Air Navigation Service Provider (ANSP) and aircraft perspective, to identify their specific navigational requirements, assess the shortcomings of the current RNP construct to meet these requirements, to propose an extended 4 Dimensional Dynamic RNP (4D Dynamic RNP) construct that accounts for the dynamic spatial and temporal nature of the selected 4DT procedures, and finally, to design an experiment using the Airspace and Traffic Operations Simulation (ATOS) system to validate the 4D Dynamic RNP construct. This Annual Interim Report summarizes the activities led by Raytheon, in collaboration with GE Aviation and SAIC, and presents the results obtained during the first year of this research effort to expand the RNP concept to 4 dimensions relative to a dynamic frame of reference. A comprehensive assessment of the state-of-the-art international implementation of current RNP was completed and presented in the Contractor Report RNP State-of-the-Art Assessment, Version 4, 17 December 2008 . The team defined in detail two 4DT operations, Airborne Precision Spacing and Self-Separation, that are ideally suited to be supported by 4D Dynamic RNP and developed their respective conceptual frameworks, Required Interval Management Performance (RIMP) Version 1.1, 13 April 2009 and Required Self Separation Performance (RSSP) Version 1.1, 13 April 2009 . Finally, the team started the development of a mathematical model and simulation tool for RIMP and RSSP scheduled to be delivered during the second year of this research effort.

Finkelsztein, Daniel M.↗
NASA NTRS2013

Detection of Extremes with AIRS and CrIS

Climate change is expected to be detected first as changes in extreme values rather than in mean values. The availability of data of from two instruments in the same orbit, AIRS data for the past eleven years and AIRS and CrIS data from the past year, provides an opportunity to evaluate this using examples of climate relevance: Desertification, seen as changes in hot extremes, severe storm, seen as a change in extremely cold clouds and the warming of the polar zone. We use AIRS to establish trends for the 1%tile, the mean and 99%tile brightness temperatures measured with the 900 cm(exp -1) channel from AIRS for the past 11 years. This channel is in the clearest part of the 11 micron atmospheric window. Substantial trends are seen for land and ocean, which in the case of the 1%tile (cold) extremes are related to the current shift of deep convection from ocean to land. Changes are also seen in the 99%tile for day tropical land, but their interpretation is at present unclear. We also see dramatic changes for the mean and 99%tile of the North Polar area. The trends are an order of magnitude larger than the instrument trend of about 3 mK/year. We use the statistical distribution from the past year derived from AIRS to evaluate the accuracy of continuing the trends established with AIRS with CrIS data. We minimize the concern about differences in the spectral response functions by limiting the analysis to the channel at 900 cm(exp -1).While the two instruments agree within 100 mK for the global day/night land/ocean mean values, there are significant differences when evaluating the1% and 99%tiles. We see a consistent warm bias in the CrIS data relative to AIRS for the 1%tile (extremely cold, cloudy) data in the tropical zone, particularly for tropical land, but the bias is not day/night land/ocean consistent. At this point the difference appears to be due to differences in the radiometric response of AIRS and CrIS to differences in the day/night land/ocean cloud types. Unless the effect can be mitigated by a future reprocessing the CrIS data, it will significantly complicate the concatenation of the AIRS and CrIS data records for the continuation of trends in extreme values.

sampling bias↗
NASA NTRS1979

Application of the superposition principle to solar-cell analysis

The superposition principle of differential-equation theory - which applies if and only if the relevant boundary-value problems are linear - is used to derive the widely used shifting approximation that the current-voltage characteristic of an illuminated solar cell is the dark current-voltage characteristic shifted by the short-circuit photocurrent. Analytical methods are presented to treat cases where shifting is not strictly valid. Well-defined conditions necessary for superposition to apply are established. For high injection in the base region, the method of analysis accurately yields the dependence of the open-circuit voltage on the short-circuit current (or the illumination level).

Lindholm, F. A.↗
NASA NTRS2016

Workshop on Assurance for Autonomous Systems for Aviation

This report describes the workshop on Assurance for Autonomous Systems for Aviation that was held in January 2016 in conjunction with the SciTech 2016 conference held in San Diego, CA. The workshop explored issues related to assurance for autonomous systems and also the idea of trust in these systems. Specifically, we focused on discussing current practices for assurance of autonomy, identifying barriers specific to autonomy as related to assurance as well as operational scenarios demonstrating the need to address the barriers. Furthermore, attention was given to identifying verification techniques that may be applicable to autonomy, as well as discussing new research directions needed to address barriers, thereby involving potential shifts in current practices.

assurance↗