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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Modulation of Photoinduced Iodine Expulsion in Mixed Halide Perovskites with Electrochemical Bias

Hole trapping at iodine (I) sites in MAPbBr 1.5 I 1.5 mixed halide perovskites (MHP) is responsible for iodine migration and its eventual expulsion into solution. We have now modulated the photoinduced iodine expulsion in MHP through an externally applied electrochemical bias. At positive potentials, electron extraction at TiO 2 /MHP interfaces becomes efficient, leading to hole buildup within MHP films. This improved charge separation, in turn, favors iodine migration as evident from the increased apparent rate constant of iodine expulsion (k expulsion = 0.0030 s –1 ). Conversely, at negative potentials (-0.3 V vs Ag/AgCl) electron–hole recombination is facilitated within MHP, slowing down iodine expulsion by an order of magnitude (k expulsion = 0.00018 s –1 ). The tuning of the EFermi level through external bias modulates electron extraction at the TiO 2 /MHP interface and indirectly controls the buildup of holes, ultimately inducing iodine migration/expulsion. Suppressing iodine migration in perovskite solar cells is important for attaining greater stability since they operate under internal electrical bias.

14 SOLAR ENERGY↗
NASA NTRS2019

Structural and Functional Adaptation of the Vestibular Otolith to Altered Gravity from Microgravity to Hypergravity

Inertial acceleration and a change in head orientation with respect to gravity are sensed by mechanosensitive receptors in the inner ear otolith organs. These structures consist of calcium carbonate grains called otoconia that mechanically load the hair cell bundles and distribute the tangential shear force during movement, and changes in their density can alter hair cell sensitivity. A possible adaptive response to a chronic gravity change is a change in weight-lending otoconia. Another mechanism is a modification of the strength and number of synapses coupling the hair cells to nerve afferents that convey the signals into the brain. Here, we present the results obtained in 2 species exposed both to µG (microgravity) and hyper-gravity (HG). Adult toadfish, Opsanus tau, were exposed to µG (microgravity) in 2 shuttle missions and to 1.12-2.24G (force of gravity) [resultant] centrifugation for 1-32 days; readaptation was studied following 1-8 days after return to 1G. Results show a biphasic pattern in response to 2.24G: initial hypersensitivity, similar to that observed after µG (microgravity) exposure, followed by transition to a significant decrease at 16-32 days. Recovery from HG exposure is approximately 4-8 days. Two major pieces of information are still needed: vertebrate hair cell response to altered gravity and impact of longer duration exposures on sensory plasticity. To address the latter we applied electron microscopic techniques to image otoconia mass obtained from 1) mice subjected to 91-days of µG (microgravity) in the Mouse Drawer System (MDS) flown on International Space Station, 2) mice subjected to 91-days of 1.24G centrifugation on ground, and 3) mice flown on 2 shuttle missions. Images from MDS mice indicate a clear restructuring of individual otoconia, suggesting deposition to the outer shell. Images from their HG ground counterparts indicate the converse - an ablation of the otoconia mass. For 13-day exposures to µG (microgravity) mice otoconia appear normal. Despite the permanence of gravity in evolution the animal senses exposure to a novel, non-1G, environment and adaptive mechanisms are initiated - in the short term compensation is likely confined to the peripheral sensory receptors, the brain or both. For longer exposures structural modifications of the otolith mass may also result.

Otoconia↗
DOE OSTI2020

Enhanced intersystem crossing of boron dipyrromethene by TEMPO radical

Radical enhanced intersystem crossing (EISC) of organic chromophores is an important approach to generate a long-lived triplet state for various electronic and optoelectronic applications. However, structural factors and design rules to promote EISC are not entirely clear. In this work, we report a series of boron dipyrromethene (BODIPY) derivatives covalently linked with a 2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO) radical with varying distances and topologies. We show that the incorporation of the TEMPO radical to BODIPY results in strong fluorescence quenching by up to 85% as a result of EISC and enhanced internal conversion. In BDP-2AR [2-(4-methyleneamino-TEMPO) BODIPY], a dyad with the shortest BODIPY–TEMPO through-bond distance, we observe the fastest EISC rate (τ isc = 1.4 ns) and the longest triplet excited state lifetime (τ T = 32 μs) compared to other distance and geometry variations. Contrary to previous reports and a general presumption, the BODIPY–TEMPO through-bond distance in this system does not play a significant role on the triplet formation rate and yield. Finally, density functional theory suggests a folding of the TEMPO radical to form a sandwich-like structure with a BODIPY ring that leads to a decrease in the through-space distance, providing a new and an interesting insight for the radical enhanced intersystem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Internal Conversion between Bright (1 1 B $^+_u$) and Dark (21 A $^-_g$) States in s- trans -Butadiene and s- trans -Hexatriene

Internal conversion (IC) between the two lowest singlet excited states, 1 1 B$_u^+$ and 2 1 A$_g^–$, of s-trans-butadiene and s-trans-hexatriene is investigated using a series of single- and multi- reference wave function and density functional theory (DFT) methodologies. Three independent types of the equation-of-motion coupled-cluster (EOMCC) theory capable of providing an accurate and balanced description of one- as well as two-electron transitions, abbreviated as δ-CR-EOMCC(2,3), DIP-EOMCC(4h2p){N o }, and DEA-EOMCC(4p2h){N u } or DEA-EOMCC(3p1h,4p2h){N u }, consistently predict that the 1 1 B$_u^+$/2 1 A$_g^–$ crossing in both molecules occurs along the bond length alternation coordinate. However, the analogous 1 1 B$_u^+$ and 2 1 A$_g^–$ potentials obtained with some multireference approaches, such as CASSCF and MRCIS(D), as well as with the linear-response formulation of time-dependent DFT (TDDFT), do not cross. Hence, caution needs to be exercised when studying the low-lying singlet excited states of polyenes with conventional multiconfigurational methods and TDDFT. The multistate many-body perturbation theory methods, such as XMCQDPT 2 , do correctly reproduce the curve crossing. Among the simplest and least expensive computational methodologies, the DFT approaches that incorporate the contributions of doubly excited configurations, abbreviated as MRSF (mixed reference spin-flip) TDDFT and SSR( 4,4 ), accurately reproduce our best EOMCC results. This is highly promising for nonadiabatic molecular dynamics simulations in larger systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In Silico Discovery of Multistep Chemistry Initiated by a Conical Intersection: The Challenging Case of Donor–Acceptor Stenhouse Adducts

Detailed mechanistic understanding of multistep chemical reactions triggered by internal conversion via a conical intersection is a challenging task that emphasizes limitations in theoretical and experimental techniques. We present a discovery-based, hypothesis-free computational approach based on first-principles molecular dynamics to discover and refine the switching mechanism of donor–acceptor Stenhouse adducts (DASAs). We simulate the photochemical experiment in silico, following the “hot” ground state dynamics for 10 ps after photoexcitation. Using state-of-the-art graphical processing units-enabled electronic structure calculations we performed in total ~2 ns of nonadiabatic ab initio molecular dynamics discovering (a) critical intermediates that are involved in the open-to-closed transformation, (b) several competing pathways which lower the overall switching yield, and (c) key elements for future design strategies. Finally, our dynamics describe the natural evolution of both the nuclear and electronic degrees of freedom that govern the interconversion between DASA ground-state intermediates, exposing significant elements for future design strategies of molecular switches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Enabling complete multichannel nonadiabatic dynamics: A global representation of the two-channel coupled, 1,2 1 A and 1 3 A states of NH 3 using neural networks

Global coupled three-state two-channel potential energy and property/interaction (dipole and spin–orbit coupling) surfaces for the dissociation of NH 3 (Ã) into NH + H 2 and NH 2 + H are reported. The permutational invariant polynomial-neural network approach is used to simultaneously fit and diabatize the electronic Hamiltonian by fitting the energies, energy gradients, and derivative couplings of the two coupled lowest-lying singlet states as well as fitting the energy and energy gradients of the lowest-lying triplet state. The key issue in fitting property matrix elements in the diabatic basis is that the diabatic surfaces must be smooth, that is, the diabatization must remove spikes in the original adiabatic property surfaces attributable to the switch of electronic wavefunctions at the conical intersection seam. Here, we employ the fit potential energy matrix to transform properties in the adiabatic representation to a quasi-diabatic representation and remove the discontinuity near the conical intersection seam. The property matrix elements can then be fit with smooth neural network functions. The coupled potential energy surfaces along with the dipole and spin–orbit coupling surfaces will enable more accurate and complete treatment of optical transitions, as well as nonadiabatic internal conversion and intersystem crossing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Dynamics and efficiency of type III solar radio emission

Existing calculations of nonlinear coupling coefficients for fundamental and harmonic emission via three-wave interactions are refined and used to calculate the conversion efficiency of Langmuir energy into electromagnetic waves when the Langmuir waves have the observed bursty form. Resulting field strengths for harmonic emission are found to be consistent with typical International Sun Earth Explorer 3 (ISSE 3) observations at 1 AU. Fundamental emission at 1 AU is found to proceed only when stimulated by the presence of a source of ion sound waves. However, it is argued that electrostatic decay of Langmuir waves can supply the necessary waves provided the driving electron beam is sufficiently fast. Under these conditions, the predicted fundamental field strengths can account for both the highest and typical fields observed; they also dominate the predicted harmonic fields, consistent with observations. This mechanism is also consistent with previous observations that fundamental emission generally occurs early in type III events, when the beam is fastest. For typical parameters it is shown that neither fundamental nor harmonic emission saturates its respective source instability, contrary to previous assumptions. However, saturation cannot be ruled out under particularly favorable conditions.

Robinson, P. A.↗
DOE OSTI2021

Energy I-Corps Electron Beam (EB) Potential for International Trade of Logs

The purpose of this document is to capture the potential from Fermilab’s “Team EB Treement” at the DOE Energy I-Corps program. Energy I-Corps, a key initiative of the Office of Technology Transitions, pairs teams of researchers with industry mentors for an intensive two-month training where the researchers define technology value propositions, conduct customer discovery interviews, and develop viable market pathways for their technologies. The team was composed prior to the Energy I-Corp program; however, the program was a catalyst for education and information exchange between the team members and stakeholders, customers, and regulators. These exchanges were captured in the evolution of a Business Model Canvas (BMC) and a Value Proposition (VP). The BMC and VP underwent numerous transformations based on feedback from the conversations between members of the team and forest or agriculture industry stakeholders and the program instructors.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Evaluation of the DC bus link capacitors and power transistor modules in the qualification testing of PV inverters

To achieve useful, fair, and cost-effective design qualification and type approval testing for PV inverters, two procedures were developed and demonstrated to evaluate the bus link capacitors and power transistor—and where applicable, its module—for long-term reliability. We evaluate the inverter under simulated use conditions with heat run tests to find the highest operating temperatures reached by these components. The procedures are demonstrated in this study with a 4-kVA class string inverter. The maximum temperature of the DC bus link capacitors was determined to be 76.4°C when the ambient temperature was at the inverter's maximum rated temperature of 60°C with derating occurring. On the other hand, the power transistor module's maximum temperature using the heat sink temperature as the index, 92.6°C, occurred in an ambient of 40.8°C when derating was not occurring. The conditions found for upper temperatures exhibited by these components are, respectively, proposed for implementation in the dry heat and thermal cycling tests in the IEC 62093 “Power conversion equipment for photovoltaic systems – Design qualification testing” international standard draft so that the levels applied in the tests are in proportion to those experienced in the field. Finally as a result, fairer evaluation of inverter reliability is realized.

14 SOLAR ENERGY↗
DOE OSTI2021

Charge-spin interconversion in epitaxial Pt probed by spin-orbit torques in a magnetic insulator

We measure spin-orbit torques (SOTs) in a model system of all-epitaxial ferrite/Pt bilayers to gain insights into charge-spin interconversion in Pt. With negligible electronic conduction in the insulating ferrite, the crystalline Pt film acts as the sole source of charge-to-spin conversion. A small fieldlike SOT independent of Pt thickness suggests a weak Rashba-Edelstein effect at the ferrite/Pt interface. By contrast, we observe a sizable dampinglike SOT that depends on the Pt thickness, from which we deduce the dominance of an extrinsic spin-Hall effect (skew scattering) and Dyakonov-Perel spin relaxation in the crystalline Pt film. Furthermore, our results point to a large internal spin-Hall ratio of ≈ 0.8 in epitaxial Pt. Furthermore, our experimental work takes an essential step towards understanding the mechanisms of charge-spin interconversion and SOTs in Pt-based heterostructures, which are crucial for power-efficient spintronic devices.

36 MATERIALS SCIENCE↗
NASA NTRS2010

High-Efficiency K-Band Space Traveling-Wave Tube Amplifier for Near-Earth High Data Rate Communications

The RF performance of a new K-Band helix conduction cooled traveling-wave tube amplifier (TWTA) is presented in this paper. A total of three such units were manufactured, tested and delivered. The first unit is currently flying onboard NASA s Lunar Reconnaissance Orbiter (LRO) spacecraft and has flawlessly completed over 2000 orbits around the Moon. The second unit is a proto-flight model. The third unit will fly onboard NASA s International Space Station (ISS) as a very compact and lightweight transmitter package for the Communications, Navigation and Networking Reconfigurable Testbed (CoNNeCT), which is scheduled for launch in 2011. These TWTAs were characterized over the frequencies 25.5 to 25.8 GHz. The saturated RF output power is >40 W and the saturated RF gain is >46 dB. The saturated AM-to- PM conversion is 3.5 /dB and the small signal gain ripple is 0.46 dB peak-to-peak. The overall efficiency of the TWTA, including that of the electronic power conditioner (EPC) is as high as 45 percent.

Simons, Rainee N.↗
NASA NTRS2010

High-Efficiency K-Band Space Traveling-Wave Tube Amplifier for Near-Earth High Data Rate Communications

The RF performance of a new K-Band helix conduction cooled traveling-wave tube amplifier (TWTA), is presented in this paper. A total of three such units were manufactured, tested and delivered. The first unit is currently flying onboard NASA's Lunar Reconnaissance Orbiter (LRO) spacecraft and has flawlessly completed over 2000 orbits around the Moon. The second unit is a proto-flight model. The third unit will fly onboard NASA's International Space Station (ISS) as a very compact and lightweight transmitter package for the Communications, Navigation and Networking Reconfigurable Testbed (CoNNeCT), which is scheduled for launch in 2011. These TWTAs were characterized over the frequencies 25.5 to 25.8 GHz. The saturated RF output power is greater than 40 W and the saturated RF gain is greater than 46 dB. The saturated AM-to-PM conversion is 3.5 /dB and the small signal gain ripple is 0.46 dB peak-to-peak. The overall efficiency of the TWTA, including that of the electronic power conditioner (EPC) is as high as 45%.

Simons, Rainee N.↗
NASA NTRSDate not supplied

In-Space Manufacturing and Planetary Surface Construction: A "Make It, Don't Take It" Approach to Long Duration Human Exploration

This presentation will focus on technology development efforts at NASA Marshall Space Flight Center (MSFC) related to the long term sustainability of human spaceflight operations. NASA’s in-space manufacturing (ISM) project is developing approaches for on-demand manufacturing of metals, printed electronics, and recycling. These technologies will be demonstrated onboard the International Space Station (ISS) before transitioning to more logistically remote platforms such as Gateway or a foundational lunar surface habitat. Based on quantitative analyses, the operations and logistics approach used for ISS (which relies on storage of a large volume of spares and frequent cargo resupply), will not be transferrable to long duration, long endurance missions beyond low earth orbit. The deployment of manufacturing and recycling technologies on crewed platforms will enable on-demand manufacturing of spares at the point of use and conversion of nuisance materials to manufacturing feedstock, reducing both launch mass and waste material. This talk will also include information on NASA’s 3D Printed Habitat Centennial Challenge, which concluded in 2019 and served to advance the state of the art for large scale 3D printing with indigenous materials similar to those which would be available on a planetary surface. MSFC also recently began work on the Moon-to-Mars Planetary Autonomous Construction Technologies (MMPACT) project, which seeks to demonstrate capabilities for the creation of infrastructure on the lunar surface via construction of landing pads and habitats with lunar regolith based materials.

materials↗
NASA NTRS1996

A Database for Propagation Models and Conversion to C++ Programming Language

In the past few years, a computer program was produced to contain propagation models and the necessary prediction methods of most propagation phenomena. The propagation model database described here creates a user friendly environment that makes using the database easy for experienced users and novices alike. The database is designed to pass data through the desired models easily and generate relevant results quickly. The database already contains many of the propagation phenomena models accepted by the propagation community and every year new models are added. The major sources of models included are the NASA Propagation Effects Handbook or the International Radio Consultive Committee (CCIR) or publications such as the Institute for Electrical and Electronic Engineers (IEEE).

Kantak, Anil V.↗
DOE OSTI2022

In situ ion irradiation of amorphous TiO 2 nanotubes

Understanding of structural and morphological evolution in nanomaterials is critical in tailoring their functionality for applications such as energy conversion and storage. Here, we examine irradiation effects on the morphology and structure of amorphous TiO 2 nanotubes in comparison with their crystalline counterpart, anatase TiO 2 nanotubes, using high-resolution transmission electron microscopy (TEM), in situ ion irradiation TEM, and molecular dynamics (MD) simulations. Anatase TiO 2 nanotubes exhibit morphological and structural stability under irradiation due to their high concentration of grain boundaries and surfaces as defect sinks. On the other hand, amorphous TiO 2 nanotubes undergo irradiation-induced crystallization, with some tubes remaining only partially crystallized. The partially crystalline tubes bend due to internal stresses associated with densification during crystallization as suggested by MD calculations. Furthermore, these results present a novel irradiation-based pathway for potentially tuning structure and morphology of energy storage materials.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Gamma Ray Large Area Space Telescope (GLAST) Balloon Flight Engineering Model: Overview

The Gamma Ray Large Area Space Telescope (GLAST) Large Area Telescope (LAT) is a pair-production high-energy (greater than 20 MeV) gamma-ray telescope being built by an international partnership of astrophysicists and particle physicists for a satellite launch in 2006, designed to study a wide variety of high-energy astrophysical phenomena. As part of the development effort, the collaboration has built a Balloon Flight Engineering Model (BFEM) for flight on a high-altitude scientific balloon. The BFEM is approximately the size of one of the 16 GLAST-LAT towers and contains all the components of the full instrument: plastic scintillator anticoincidence system (ACD), high-Z foil/Si strip pair-conversion tracker (TKR), CsI hodoscopic calorimeter (CAL), triggering and data acquisition electronics (DAQ), commanding system, power distribution, telemetry, real-time data display, and ground data processing system. The principal goal of the balloon flight was to demonstrate the performance of this instrument configuration under conditions similar to those expected in orbit. Results from a balloon flight from Palestine, Texas, on August 4, 2001, show that the BFEM successfully obtained gamma-ray data in this high-background environment.

Thompson, D. J.↗
DOE OSTI2024

Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore

Controlling excited-state reactivity is a long-standing challenge in photochemistry, as a desired pathway may be inaccessible or compete with other unwanted channels. An important example is internal conversion of the anionic green fluorescent protein (GFP) chromophore where non-selective progress along two competing torsional modes (P: phenolate and I: imidazolinone) impairs and enables Z-to-E photoisomerization, respectively. Developing strategies to promote photoisomerization could drive new areas of applications of GFP-like proteins. Motivated by the charge-transfer dichotomy of the torsional modes, we explore chemical substitution on the P-ring of the chromophore as a way to control excited-state pathways and improve photoisomerization. As demonstrated by methoxylation, selective P-twisting appears difficult to achieve because the electron-donating potential effects of the substituents are counteracted by inertial effects that directly retard the motion. Conversely, these effects act in concert to promote I-twisting when introducing electron-withdrawing groups. Specifically, 2,3,5-trifluorination leads to both pathway selectivity and a more direct approach to the I-twisted intersection which, in turn, doubles the photoisomerization quantum yield. Our results suggest P-ring engineering as an effective approach to boost photoisomerization of the anionic GFP chromophore.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Utilizing Radioisotope Power System Waste Heat for Spacecraft Thermal Management

One of the advantages of using a Radioisotope Power System (RPS) for deep space or planetary surface missions is the readily available waste heat, which can be used to maintain electronic components within a controlled temperature range, to warm propulsion tanks and mobility actuators, and to gasify liquid propellants. Previous missions using Radioisotope Thermoelectric Generators (RTGs) dissipated a very large quantity of waste heat due to the relatively low efficiency of the thermoelectric conversion technology. The next generation RPSs, such as the 110-watt Stirling Radioisotope Generator (SRG110) will have much higher conversion efficiencies than their predecessors and therefore may require alternate approaches to transferring waste heat to the spacecraft. RTGs, with efficiencies of approx. 6 to 7% and 200 C housing surface temperatures, would need to use large and heavy radiator heat exchangers to transfer the waste heat to the internal spacecraft components. At the same time, sensitive spacecraft instruments must be shielded from the thermal radiation by using the heat exchangers or additional shields. The SRG110, with an efficiency around 22% and 50 C nominal housing surface temperature, can use the available waste heat more efficiently by more direct heat transfer methods such as heat pipes, thermal straps, or fluid loops. The lower temperatures allow the SRG110 much more flexibility to the spacecraft designers in configuring the generator without concern of overheating nearby scientific instruments, thereby eliminating the need for thermal shields. This paper will investigate using a high efficiency SRG110 for spacecraft thermal management and outline potential methods in several conceptual missions (Lunar Rover, Mars Rover, and Titan Lander) to illustrate the advantages with regard to ease of assembly, less complex interfaces, and overall mass savings.

Pantano, David R.↗