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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 397 records · Page 22

Trade-off between processability and device performance in donor–acceptor semiconductors revealed using discrete siloxane side chains

Donor–acceptor polymeric semiconductors are crucial for state-of-the-art applications, such as electronic skin mimics. The processability, and thus solubility, of these polymers in benign solvents is critical and can be improved through side chain engineering. Nevertheless, the impact of novel side chains on backbone orientation and emerging device properties often remains to be elucidated. Here, we investigate the influence of elongated linear and branched discrete oligodimethylsiloxane (oDMS) side chains on solubility and device performance. Thereto, diketopyrrolopyrrole–thienothiophene polymers are equipped with various oDMS pendants (PDPPTT-Si n ) and subsequently phase separated into lamellar domains. The introduction of a branching point in the siloxane significantly enhanced the solubility of the polymer, as a result of increased backbone distortion. Simultaneously, the charge carrier mobility of the polymers decreased by an order of magnitude upon functionalization with long and/or branched siloxanes. This work unveils the intricate balance between processability and device performance in organic semiconductors, which is key for the development of next-generation electronic devices.

36 MATERIALS SCIENCE↗

Design and evaluation of controls for drift, video gain, and color balance in spaceborne facsimile cameras

The facsimile camera is an optical-mechanical scanning device which has become an attractive candidate as an imaging system for planetary landers and rovers. This paper presents electronic techniques which permit the acquisition and reconstruction of high quality images with this device, even under varying lighting conditions. These techniques include a control for low frequency noise and drift, an automatic gain control, a pulse-duration light modulation scheme, and a relative spectral gain control. Taken together, these techniques allow the reconstruction of radiometrically accurate and properly balanced color images from facsimile camera video data. These techniques have been incorporated into a facsimile camera and reproduction system, and experimental results are presented for each technique and for the complete system.

Katzberg, S. J.↗

Kinetic simulations underestimate the effects of waves during magnetic reconnection

Collisionless plasma systems are often studied using fully kinetic simulations, where protons and electrons are treated as particles. Due to their computational expense, it is necessary to reduce the ion-to-electron mass ratio $m_i/m_e$ or the ratio between plasma and cyclotron frequencies in simulations of large systems. In this Letter we show that when electron-scale waves are present in larger-scale systems, numerical parameters affect their amplitudes and effects on the larger system. Using lower-hybrid drift waves during magnetic reconnection as an example, we find that the ratio between the wave electric field and the reconnection electric field scales as $\sqrt{m_i/m_e}$, while the phase relationship is also affected. The combination of these effects means that the anomalous drag that contributes to momentum balance in the reconnection region can be underestimated by an order of magnitude. The results are relevant to the coupling of electron-scale waves to ion-scale reconnection regions, and other systems such as collisionless shocks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermoradiative Conversion for Space Power Systems

The thermoradiative cell is a new method for converting heat energy to electrical power, first detailed by Strandberg in 2015. The cell is structurally similar to a photovoltaic cell, in that it is a p-n junction semiconductor device, but thermodynamically operates in the reverse direction, converting the thermal dark current into electrical power by utilizing the recombination radiation from thermally-generated electron hole pairs to radiate waste heat to space. This technology may have application for space missions in converting thermal energy produced by a radioisotope source or from a nuclear reactor into power. The power and efficiency can be calculated as a function of bandgap in the detailed-balance case (the Shockley-Queisser limit), in which all of the thermal emissivity of the cell is due to the recombination of thermally generated electron-hole pairs, and all other recombination losses are ignored. The current produced is directly proportional to the recombination radiation, and thus the more thermally generated pairs, the higher the current. The voltage is proportional to the external bias. These two constraints allow optimization of the optimum bias point for maximum power, and allow calculation of the efficiency at maximum power point. Unlike photovoltaic cells, the maximum power operating point is not the same as the maximum efficiency point, and higher efficiency can be achieved at a higher (negative) bias in the ideal case. Incorporating non-ideal losses, however, shifts the maximum efficiency point toward lower bias. Since a thermoradiative cell operates by radiating directly to space, the current produced by a themoradiative cells will increase with the Stefan-Boltzman radiative efficiency; roughly the fourth power of the temperature. Thus, in contrast to a photovoltaic converter, the power produced is highest at high operating temperatures. Likewise, in contrast to conventional thermal conversion, high radiator temperature increases, rather than decreases the efficiency. Thus, the thermoradiative conversion may fill a mission niche in which small radiator size is required. The basic operation will be summarized, applications to space power discussed, and the requirements for further research outlined.

Photovoltaic Cell↗

Discovery of a Hybrid System for Photocatalytic CO 2 Reduction via Attachment of a Molecular Cobalt-Quaterpyridine Complex to a Crystalline Carbon Nitride

While recent reports have demonstrated the attachment of molecular catalysts to amorphous, graphitic carbon nitrides (g-CN) for light-driven CO 2 reduction, approaches to the utilization of crystalline carbon nitrides have remained undiscovered. Herein, a functional hybrid photocatalyst system has been found using a crystalline carbon nitride semiconductor, poly(triazine imide) lithium chloride (PTI-LiCl), with a surface-attached CoCl 2 (qpy-Ph-COOH) catalyst for CO 2 reduction. The molecular catalyst attaches to PTI-LiCl at concentrations from 0.10 to 4.30 wt % and exhibits ∼96% selectivity for CO production in a CO 2 -saturated, aqueous 0.5 M KHCO 3 solution. Optimal loadings were found to be within 0.42–1.04 wt % with rates between 1,400 and 1,550 μmol CO/g·h at an irradiance of 172 mW/cm 2 (λ = 390 nm) and apparent quantum yields of ∼2%. This optimized loading is postulated to represent a balance between maximal turnover frequency (TOF; 300+ h –1 ) and excess catalyst that can limit excited-electron lifetimes, as probed via transient absorption spectroscopy. An increase in the incident irradiance yields a concomitant increase in the TOFs and CO rates only for the higher catalyst loadings, reaching up to 2,149 μmol CO/g·h with a more efficient use of the catalyst surface capacity. The lower catalyst loadings, by comparison, already function at maximal TOFs. Higher surface loadings are also found to help mitigate deactivation of the molecular catalysts during extended catalytic testing (>24 h) owing to the greater net surface capacity for CO 2 reduction, thus representing an effective strategy to extend lifetime. The hybrid particles can be deposited onto an FTO substrate to yield ∼60% Faradaic efficiency for photoelectrochemical CO production at −1.2 V vs Ag/AgCl bias. In conclusion, these results demonstrate the synergistic combination of a crystalline carbon nitride with a molecular catalyst that achieves among the highest known rates in carbon-nitride systems for the light-driven CO 2 reduction to CO in aqueous solution with >95% selectivity.

CO2 reduction↗

Data-driven prediction of the output composition of an atmospheric pressure plasma jet

Cold atmospheric plasma (CAP) in open air hosts numerous chemical species engaged in thousands of chemical reactions. Comprehensive diagnosis of its chemical composition is important across various fields from medicine, where reactive oxygen and nitrogen play key roles, to surface modification. In applications, a centimeter-scale helium–air jet operates for minutes, featuring micrometer-sized streamers and an atmospheric pressure-induced collision frequency in the hundreds of GHz range. To address this intricate multi-scale issue, we introduce a machine learning approach: using a physics-informed neural network (PINN) to tackle the multi-scale complexities inherent in predicting the complete list of species concentrations, gas temperature, and electron temperature of a CAP jet supplied with a mixture of helium and air. Experimental measurements of O 3 , N 2 O, and NO 2 concentrations downstream of the plasma jet, combined with fundamental physics laws, the conservation of mass and charge, constrain the PINN, enabling it to predict the concentrations of all species that are not available from the experiment, along with gas and electron temperatures. The results, therefore, obey all the physical laws we provided and can have a chemical balance with the measured concentrations. In conclusion, this methodology holds promise for describing and potentially regulating complex systems with limited experimental datasets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the origin and spatial extent of high-latitude F region irregularities

Evidence for the direct production of macroscale irregularities by structured, soft electron fluxes is employed to form the basis for a model for the transport and decay of such structures and the role of plasma instabilities in the production of smaller irregularities. Large scale structures were defined with wavelengths of at least 10 km, intermediate between 0.0-10 km, and short less than 10 m. Data were gathered by means of a rocket flight into the auroral oval and radar scans of 10-350 km altitudes for electron density contours. The radar data indicated that the large-scale structure in the F region plasma was in the main due to electron precipitation. The instability of the structures caused the emergence of smaller scale irregularities in a dynamic balance of instability growth and damping. Additional productive sources which allow the greater than 100 km structures to pass over the North Pole intact are discussed.

Kelley, M. C.↗

The outer atmospheres of the coolest M giants - Ultraviolet spectra of Rho Persei, 2 Centauri, g Herculis, Theta Apodis, and R Lyrae

New IUE observations of five M giants cooler than most studied previously have been obtained in order to study the variation of chromospheric properties with effective temperature. The ultraviolet spectrum lines of one of these stars, Rho Persei, are identified. The properties of the spectra of of the five stars are examined in detail, including the line widths and turbulence, the radial velocities of groups of lines, the structure in the Mg II resonance lines, and the fluorescent lines. The physical properties of the M giants' chromospheres are considered, including the formation of Fe II, the electron density, the degree of ionization of iron, magnesium, silicon, and carbon, the hydrogen ionization and energy balance, and the creation and destruction of photons.

Eaton, Joel A.↗

Wind Tunnel Results of the Aerodynamic Performance of a 1/8-Scale Model of a Twin-Engine Transport with Multi-Element Wing

A wind tunnel investigation was performed in the 14- by 22-Foot Subsonic Tunnel on a pressure instrumented 1/8-scale twin-engine subsonic transport to better understand the flow physics on a multi-element wing section. The wing consisted of a part-span, triple-slotted trailing edge flap, inboard leading-edge Krueger flap and an outboard leading-edge slat. The model was instrumented with flush pressure ports at the fuselage centerline and seven spanwise wing locations. The model was tested in cruise, take-off and landing configurations at dynamic pressures and Mach numbers from 10 lbf/ft(exp 2) to 50 lbf/ft(exp 2) and 0.08 to 0.17, respectively. This resulted in corresponding Reynolds numbers of 0.8 x 10(exp 5) to 1.8 x 10(exp 6). Pressure data were collected using electronically scanned pressure devices and force and moment data were collected with a six component strain gauge balance. Results are presented for various control surface deflections over an angle-of-attack range from -4 degrees to 16 degrees and sideslip angle range from -10 degrees to 10 degrees. Longitudinal and lateral directional aerodynamic data are presented as well as chordwise pressure distributions at the seven spanwise wing locations and the fuselage centerline.

Laflin, Brenda E. Gile↗

Measurement of Metastable Lifetimes of Highly-Charged Ions

The present work is part of a series of measurements of metastable lifetimes of highly-charged ions (HCIs) which contribute to optical absorption, emission and energy balance in the Interstellar Medium (ISM), stellar atmospheres, etc. Measurements were carried out using the 14-GHz electron cyclotron resonance ion source (ECRIS) at the JPL HCI facility. The ECR provides useful currents of charge states such as C(sup(1-6)+), Mg(sup(1-6)+) and Fe(sup(1-17)+). In this work the HCI beam is focused into a Kingdon electrostatic ion trap for measuring lifetimes via optical decays.

Smith, Steven J.↗

Analysis of Thermoradiative Thermal Energy Conversion

The thermoradiative cell is a new method for converting heat energy to electrical power, first detailed by Strandberg in 2015. The cell is a p-n junction semiconductor device, similar to a photovoltaic cell but thermodynamically operating in the reverse direction, converting the thermal dark current into electrical power while radiating waste heat to space. The power and efficiency can be calculated as a function of bandgap in the Shockley-Queisser detailed-balance limit, in which the thermal emissivity of the cell is due to the recombination of electron-hole pairs, and all other recombination losses are ignored. The current produced is directly proportional to the recombination radiation. The fundamental loss mechanism for the thermoradiative cell is the energy carried by the infrared radiation into space from band-to-band recombination of carriers injected across the junction. In an ideal cell, to maximize the efficiency, the emission energy of these photons would precisely equal the bandgap. This can be achieved, for example, using dielectric filters or meta-material filters to recycle emission at other wavelengths back into the cell. The voltage is proportional to the external bias. These two constraints allow optimization of the optimum bias point for maximum power. Unlike photovoltaic cells, the maximum power operating point is not the same as the maximum efficiency point, and higher efficiency can be achieved at a higher (negative) bias in the ideal case. Incorporating non-ideal losses, however, shifts the maximum efficiency point toward lower bias. Unlike in photovoltaic cells, non-radiative recombination (e.g., Auger losses) will reduce the output current, but will not reduce the conversion efficiency, since the recombination energy is retained in the cell in the form of heat. Since a thermoradiative cell operates by radiating directly to space, the current produced by themoradiative cells will increase as Stefan-Boltzmann radiation; roughly the fourth power of the temperature. Thus, the power produced is highest at high operating temperatures, and, unlike conventional thermal conversion, increasing radiator temperature increases, the efficiency. Thus, the choice of technology will be toward semiconductors resistant to degradation at high temperature.

Thermoradiative↗

Defect Equilibria from First Principles: From Widegap Oxides to Topological Semimetals

Materials functionality and performance is rarely determined by the ideal crystal alone but is usually affected by formation of imperfections and the solution of impurities. In some applications, such as solar thermochemical hydrogen generation, defect formation is the fundamentally enabling mechanism of the desired functionality. In other cases, such as Cd3As2 topological semimetals, unintentional self-doping presents an obstacle to the access to the unique electronic properties. In either case, a quantitative understanding of the relevant defect mechanism is essential for developing design strategies. This presentation will touch upon numerous aspects in the computational simulation of defect equilibria, including non-equilibrium design strategies, the coupling of solid state and gas-phase reactions, dopant-defect and defect-defect interactions, both attractive and repulsive, the accuracy of total energy functionals and electronic structure methods, and the role of the shape of the density of states for the charge balance condition and Fermi level position, as well as machine-learning prediction of defect energies (1). Specific materials systems include Ga2O3 (2), Cd3As2 (3), and (Sr,Ce)MnO3 (4). (1) M.D. Witman, A. Goyal, T. Ogitsu, A.H. McDaniel, S. Lany, Nat. Comput. Sci. 3, 675 (2023). (2) A. Goyal, A. Zakutayev, V. Stevanovic, S. Lany, J. Appl. Phys. 129, 245704 (2021). (3) C. Brooks, M. van Schilfgaarde, D. Pashov, J.N. Nelson, K. Alberi, D.S. Dessau, S. Lany, Phys. Rev. B 107, 224110 (2023). (4) A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024).

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗

The Delicate Balance Redux: The Role of Nuclear Forces, Damage Limitation and Uncertainty in Future U.S.-China Crises

What is the impact of damage limitation capabilities like counterforce and missile defenses on deterrence, when their efficacy in stopping an adversary nuclear attack is uncertain? This is a key unanswered question to understand “how much is enough” for the United States to deter China and Russia in future nuclear crises. In this paper we extend an established, single move game theory model to capture the dynamics of two players in a nuclear crisis having varying damage limitation capabilities with uncertain effectiveness. Our model formalizes the logic of the “delicate balance” school of deterrence, which states that leverage in a crisis is driven by the risk each player can take with their combined strategic forces, and that those risks carry uncertainty as nuclear forces are hard to deliver against technologically advanced adversaries. Our model shows that damage limitation capabilities—even those with significant uncertainty around them like cyber or electronic warfare—can drive bargaining outcomes in an array of nuclear crises. We then apply these bargaining outcomes to the expected U.S.-China strategic balance as China builds out its nuclear force through 2035. We apply published force exchange models to determine the expected damage each side will be able to deliver, and we use these values to determine the likelihood that the U.S. can prevail in crises of varying stakes. Last, we show that U.S. policymakers have an array of options to improve future bargaining outcomes, evaluating how additional nuclear forces trade against improvements in damage limitation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Inverse Force Determination on a Small Scale Launch Vehicle Model Using a Dynamic Balance

A launch vehicle can experience large unsteady aerodynamic forces in the transonic regime that, while usually only lasting for tens of seconds during launch, could be devastating if structural components and electronic hardware are not designed to account for them. These aerodynamic loads are difficult to experimentally measure and even harder to computationally estimate. The current method for estimating buffet loads is through the use of a few hundred unsteady pressure transducers and wind tunnel test. Even with a large number of point measurements, the computed integrated load is not an accurate enough representation of the total load caused by buffeting. This paper discusses an attempt at using a dynamic balance to experimentally determine buffet loads on a generic scale hammer head launch vehicle model tested at NASA Ames Research Center's 11' x 11' transonic wind tunnel. To use a dynamic balance, the structural characteristics of the model needed to be identified so that the natural modal response could be and removed from the aerodynamic forces. A finite element model was created on a simplified version of the model to evaluate the natural modes of the balance flexures, assist in model design, and to compare to experimental data. Several modal tests were conducted on the model in two different configurations to check for non-linearity, and to estimate the dynamic characteristics of the model. The experimental results were used in an inverse force determination technique with a psuedo inverse frequency response function. Due to the non linearity, the model not being axisymmetric, and inconsistent data between the two shake tests from different mounting configuration, it was difficult to create a frequency response matrix that satisfied all input and output conditions for wind tunnel configuration to accurately predict unsteady aerodynamic loads.

testing↗

ENPOLITE: Comparing Lithium-Ion Cells across Energy, Power, Lifetime, and Temperature

Due to their impressive energy density, power density, lifetime, and cost, lithium-ion batteries have become the most important electrochemical storage system, with applications including consumer electronics, electric vehicles, and stationary energy storage. However, each application has unique, often conflicting product specifications, requiring a balanced overall assessment. The Ragone plot is a commonly-used plot to compare energy and power of lithium-ion battery chemistries. Important parameters including cost, lifetime, and temperature sensitivity are not considered. Overall, a standardized and balanced reporting and visualization of specifications would greatly help an informed cell selection process.

25 ENERGY STORAGE↗

Autonomous Synthesis and Inverse Design of Electrochromic Polymers with High Efficiency and Accuracy

Here, the design and synthesis of functional polymers, aimed at targeted properties through specific structures, have long been challenged by their complex and often nonlinear structure–property relationships. Key processes, including knowledge accumulation for predictive design and experimental refinement and validation, are traditionally labor-insensitive and time-consuming, making it difficult to balance accuracy and efficiency. Here, we introduce an accelerated, autonomous system for the on-demand synthesis of electronic polymers that achieves the desired electrochromic functionality with high accuracy and efficiency. Our approach leverages large language model-assisted data mining, a physics-informed copolymer machine learning model, and an AI-driven autonomous robotic workflow in the Polybot lab. Within 72 h, Polybot autonomously synthesized electrochromic polymers (ECPs) with targeted, previously-unreported color values, including green polymers with specific absorption profiles, precisely fine-tuning copolymer structures with a 5% step size in comonomer composition within a three-monomer system. A publicly accessible ECP informatics database has also been created to foster knowledge exchange.

AI-driven Robotic Lab↗

Flexible and high-performance electrochromic devices enabled by self-assembled 2D TiO 2 /MXene heterostructures

Transition metal oxides (TMOs) are promising electrochromic (EC) materials for applications such as smart windows and displays, yet the challenge still exists to achieve good flexibility, high coloration efficiency and fast response simultaneously. MXenes (e.g. Ti 3 C 2 T x ) and their derived TMOs (e.g. 2D TiO 2 ) are good candidates for high-performance and flexible EC devices because of their 2D nature and the possibility of assembling them into loosely networked structures. Here we demonstrate flexible, fast, and high-coloration-efficiency EC devices based on self-assembled 2D TiO 2 /Ti 3 C 2 T x heterostructures, with the Ti 3 C 2 T x layer as the transparent electrode, and the 2D TiO 2 layer as the EC layer. Benefiting from the well-balanced porosity and connectivity of these assembled nanometer-thick heterostructures, they present fast and efficient ion and electron transport, as well as superior mechanical and electrochemical stability. We further demonstrate large-area flexible devices which could potentially be integrated onto curved and flexible surfaces for future ubiquitous electronics.

36 MATERIALS SCIENCE↗

Validation of gyrokinetic simulations in NSTX and projections for high-k turbulence measurements in NSTX-U

An extensive validation effort performed for a modest-beta NSTX NBI-heated H-mode discharge predicts that electron thermal transport can be entirely explained by electron-scale turbulence fluctuations driven by the electron temperature gradient mode (ETG), both in conditions of strong and weak ETG turbulence drive. Thermal power-balance estimates computed by TRANSP as well as the shape of the high-k density fluctuation wavenumber spectrum and the fluctuation level ratio between strongly driven and weakly driven ETG-turbulence conditions can be matched by nonlinear gyrokinetic simulations and a synthetic diagnostic for high-k scattering. Linear gyrokinetic simulations suggest that the ion-scale instability in the weak ETG condition is close to the critical threshold for the kinetic ballooning mode instability, and nonlinear ion-scale gyrokinetic simulations show that turbulence might be in a state reminiscent of a Dimits' shift regime, opening speculation on the role that ion-scale turbulence might play for the weak ETG condition. A simulation that matched all experimental constraints is chosen to project high-k turbulence spectra in NSTX-U, revealing that the new high-k system [R. Barchfeld et al., Rev. Sci. Instrum. 89, 10C114 (2018)] should be sensitive to density fluctuations from radially elongated streamer structures. In this study, two schemes are designed to characterize the radial and poloidal wavenumber dependence of the density fluctuation wavenumber power spectrum around the streamer peak, suggesting future high-k fluctuation measurements could be sensitive to an asymmetry in the k r spectrum introduced due to the presence of strong background flow shear.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗