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DOE OSTI2023

Molecular interactions that drive morphological and mechanical stabilities in organic solar cells

Morphological and mechanical stabilities of organic solar cells (OSCs) are of paramount importance to ensure long-lived devices. However, the fundamental drivers of these stability metrics and their competing relationship have yet to be well defined. Here, in this work, several high-performance polymers and small molecule acceptors (SMAs) are considered to assist in the development of a comprehensive view of the molecular drivers of, and interrelationships between, morphological and mechanical stabilities. We find that the SMAs drive much of the embrittlement and diffusion characteristics in the blend films. However, the heterointeraction of the SMA and polymer, probed through dynamic mechanical analysis, is a key contributing factor to the film toughness. The heterointeraction energy is ideally maximally negative (i.e., repulsive), deviating from the geometric mean of the homointeraction energy. These findings assist in introducing a framework to understand the active layer stability and highlight material properties that lead to morphologically stable and physically robust OSCs.

14 SOLAR ENERGY↗

DOE OSTI2025

Engineering quorum-sensing circuits in Synechococcus elongatus PCC 7942 towards self-inducible systems

Despite significant potential for cyanobacteria as sustainable bioproduction chases, there are limited examples of scaled cyanobacterial bioproduction. In part, this is because most cyanobacterial species are poorly adapted to bioreactor cultivation conditions and lack features that facilitate biomass growth and harvesting at scale. We explored quorum sensing (QS) pathways derived from heterotrophic microbes as a method for autoinduction of gene expression circuits coordinated to population density in cyanobacteria. Here, we integrated genetic modules designed to produce and detect the diffusible QS signal, acyl-homoserine lactones (AHLs), in the cyanobacterial model, Synechococcus elongatus PCC 7942 (S. elongatus). We demonstrate that S. elongatus heterologously produces sufficient AHL signals to activate gene expression in a dose-dependent and population density-responsive manner. A hybrid combination of AHL synthesis enzyme from Vibrio fischeri (Lux system) with the transcription factor receiver from Pseudomonas aeruginosa (Las system) provides an ideal activation ratio and mitigates toxicity observed with some AHL systems. As a proof of concept, we coupled the QS pathway to the expression of a cell division inhibitory gene, cdv3, facilitating late-phase cell elongation, cell sedimentation, and improved biomass recovery. Our findings provide a foundation for the development of auto-induction systems leverageable to improve cyanobacterial biotechnology applications.

Acyl homoserine lactones (AHL)↗

DOE OSTI2025

Low- n stability and plasma response to RMP in various STEP scenarios

The low-n (n is the toroidal mode number) magnetohydrodynamic (MHD) stability and plasma response are numerically investigated for various scenarios designed for STEP, that are relevant for the H-mode pedestal analysis. Control of the edge-localized modes (ELMs) with externally applied resonant magnetic perturbations (RMPs) is considered. Optimization of the ELM control coil current configuration, based on the computed plasma MHD response and well-established figures of merit validated on present-day experiments, finds reasonable robustness of a fixed coil phasing (for a given n-number) to control ELMs in all five STEP plasmas considered. Based on certain semi-empirical criteria, the required coil current to achieve ELM suppression is estimated to be about 10–20 kAt with the n = 1 or 2 RMP configuration and about 100–200 kAt for the n = 4 RMP. Systematic linear stability calculations are used to map out stability windows for the low-n kink-peeling modes, in terms of the ideal-wall location and variation of the edge safety factor q 95 with respect to the target design. The kink-peeling stability boundary is found to be generally sensitive to the q 95 variation, which has implications for achieving the quiescent H-mode regime in STEP. Full toroidal quasilinear initial-value simulations for these STEP plasmas find that generation of the edge-harmonic oscillations (EHOs) depends sensitively on the plasma scenario, the initial linear stability of the kink-peeling modes, the initial plasma toroidal flow and q 95 . In general, it is easier (more robust) to access the EHO-regime for two of the cases considered with smaller plasma volume and higher on-axis safety factor. Finally, quasilinear simulations find robust density pumpout due to applied RMPs in these STEP plasmas, but the effect on the plasma toroidal flow varies among different cases.

EHO↗

DOE OSTI2022

A novel measurement of marginal Alfvén eigenmode stability during high power auxiliary heating in JET

The interaction of Alfvén eigenmodes (AEs) and energetic particles is one of many important factors determining the success of future tokamaks. In JET, eight in-vessel antennas were installed to actively probe stable AEs with frequencies ranging 25–250 kHz and toroidal mode numbers |n| < 20. During the 2019–2020 deuterium campaign, almost 7500 resonances and their frequencies f 0 , net damping rates γ < 0, and toroidal mode numbers were measured in almost 800 plasma discharges. From a statistical analysis of this database, continuum and radiative damping are inferred to increase with edge safety factor, edge magnetic shear, and when including non-ideal effects. Both stable AE observations and their associated damping rates are found to decrease with |n|. Active antenna excitation is also found to be ineffective in H-mode as opposed to L-mode; this is likely due to the increased edge density gradient’s effect on accessibility and ELM-related noise’s impact on mode identification. A novel measurement is reported of a marginally stable, edge-localized ellipticity-induced AE probed by the antennas during high-power auxiliary heating (ion cyclotron resonance heating and neutral beam injection) up to 25 MW. NOVA-K kinetic-MHD simulations show good agreement with experimental measurements of f 0 , γ, and n, indicating the dominance of continuum and electron Landau damping in this case. Similar experimental and computational studies are planned for the recent hydrogen and ongoing tritium campaigns, in preparation for the upcoming DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

A novel measurement of marginal Alfven Eigenmode stability during high power auxiliary heating in JET

The interaction of Alfven Eigenmodes (AEs) and energetic particles is one of many important factors determining the success of future tokamaks. In JET, eight in-vessel antennas were installed to actively probe stable AEs with frequencies ranging 25-250 kHz and toroidal mode numbers |n| < 20. During the 2019-2020 deuterium campaign, almost 7500 resonances and their frequencies f0, net damping rates \gamma < 0, and toroidal mode numbers were measured in almost 800 plasma discharges. From a statistical analysis of this database, continuum and radiative damping are inferred to increase with edge safety factor, edge magnetic shear, and when including non-ideal effects. Both stable AE observations and their associated damping rates are found to decrease with |n|. Active antenna excitation is also found to be ineffective in H-mode as opposed to L-mode; this is likely due to the increased edge density gradient's effect on accessibility and ELM-related noise's impact on mode identification. A novel measurement is reported of a marginally stable, edge-localized Ellipticity-induced AE probed by the antennas during high-power auxiliary heating (ICRH and NBI) up to 25 MW. NOVA-K kinetic-MHD simulations show good agreement with experimental measurements of f0, \gamma, and n, indicating the dominance of continuum and electron Landau damping in this case. Similar experimental and computational studies are planned for the recent hydrogen and ongoing tritium campaigns, in preparation for the upcoming DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1960

Real-Gas Correction Factors for Hypersonic Flow Parameters in Helium

The real-gas hypersonic flow parameters for helium have been calculated for stagnation temperatures from 0 F to 600 F and stagnation pressures up to 6,000 pounds per square inch absolute. The results of these calculations are presented in the form of simple correction factors which must be applied to the tabulated ideal-gas parameters. It has been shown that the deviations from the ideal-gas law which exist at high pressures may cause a corresponding significant error in the hypersonic flow parameters when calculated as an ideal gas. For example the ratio of the free-stream static to stagnation pressure as calculated from the thermodynamic properties of helium for a stagnation temperature of 80 F and pressure of 4,000 pounds per square inch absolute was found to be approximately 13 percent greater than that determined from the ideal-gas tabulation with a specific heat ratio of 5/3.

Erickson, Wayne D.↗

NASA NTRS1979

Ultralean combustion in general aviation piston engines

The role of ultralean combustion in achieving fuel economy in general aviation piston engines was investigated. The aircraft internal combustion engine was reviewed with regard to general aviation requirements, engine thermodynamics and systems. Factors affecting fuel economy such as those connected with an ideal leanout to near the gasoline lean flammability limit (ultralean operation) were analyzed. A Lycoming T10-541E engine was tested in that program (both in the test cell and in flight). Test results indicate that hydrogen addition is not necessary to operate the engine ultralean. A 17 percent improvement in fuel economy was demonstrated in flight with the Beechcraft Duke B60 by simply leaning the engine at constant cruiser power and adjusting the ignition for best timing. No detonation was encountered, and a 25,000 ft ceiling was available. Engine roughness was shown to be the limiting factor in the leanout.

Chirivella, J. E.↗

NASA NTRS2005

Factorization of the Compressible Navier-Stokes Equations

The Navier-Stokes equations for a Newtonian ideal gas are examined to determine the factorizable form of the equations relevant to the construction of a factorizable relaxation scheme. The principal linearization of the equations is found by examining the relative magnitude of the terms for short-wavelength errors. The principal part of the operator is then found. Comparison of the factors of the Navier-Stokes and Euler equations differ qualitatively because of the coupling of entropy and pressure through thermal diffusion. Special cases of the factorization are considered.

Roberts, Thomas W.↗

DOE OSTI2020

Impacts of Stochastic Mixing in Idealized Convection-Permitting Simulations of Squall Lines

This study investigates impacts of altering subgrid-scale mixing in “convection-permitting” kilometer-scale horizontal-grid-spacing (Δ h ) simulations by applying either constant or stochastic multiplicative factors to the horizontal mixing coefficients within the Weather Research and Forecasting Model. In quasi-idealized 1-km Δ h simulations of two observationally based squall-line cases, constant enhanced mixing produces larger updraft cores that are more dilute at upper levels, weakens the cold pool, rear-inflow jet, and front-to-rear flow of the squall line, and degrades the model’s effective resolution. Reducing mixing by a constant multiplicative factor has the opposite effect on all metrics. Completely turning off parameterized horizontal mixing produces bulk updraft statistics and squall-line mesoscale structure closest to an LES “benchmark” among all 1-km simulations, although the updraft cores are too undilute. The stochastic mixing scheme, which applies a multiplicative factor to the mixing coefficients that varies stochastically in time and space, is employed at 0.5-, 1-, and 2-km Δ h . It generally reduces midlevel vertical velocities and enhances upper-level vertical velocities compared to simulations using the standard mixing scheme, with more substantial impacts at 1- and 2-km Δ h compared to 0.5-km Δ h . Further, the stochastic scheme also increases updraft dilution to better agree with the LES for one case, but has less impact on the other case. Stochastic mixing acts to weaken the cold pool but without a significant impact on squall-line propagation. It also does not affect the model’s overall effective resolution unlike applying constant multiplicative factors to the mixing coefficients.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Baseplate Temperature–Dependent Vertical Composition Gradient in Pseudo–Bilayer Films for Printing Non–Fullerene Organic Solar Cells

Numerous previous reports on the sequential deposition (SD) technique have demonstrated that this approach can achieve a p–i–n active layer architecture with an ideal vertical composition gradient, which is one of the critical factors that can influence the physical processes that determine the photovoltaic performance of organic solar cells. Herein, a commonly used photovoltaic system comprised of PM6 as a donor and Y6 as an acceptor is investigated with respect to sequential blade–processing deposition to comprehensively explore the morphology characteristics as a function of baseplate temperature. A systematic study of the temperature–dependent blend morphology elucidates the SD–processed configuration merits and device physics behind temperature–controlled degree of vertical composition gradient, and constructs the temperature–microstructure–property relationship for the corresponding photovoltaic parameters. The result shows, as the temperature increases, the morphology of the active layer has undergone a distinct evolution from the pseudo–bulk heterojunction to a pseudo–planar heterojunction and then to a pseudo–planar bilayer, leading to a non–monotonic correlation between baseplate temperature and device performance. Further, this investigation not only reveals the importance of precisely controlling baseplate temperature for gaining vertical morphology control, but also provides a path toward rational optimization of device performance in the lab–to–fab transition.

14 SOLAR ENERGY↗

NASA NTRS1981

Digital image processing on a small computer system

A minicomputer-based image processing facility provides a relatively low-cost entry point for education about image analysis applications in remote sensing. While a minicomputer has sufficient processing power to produce results quite rapidly for low volumes of small images, it does not have sufficient power to perform CPU- or 1/0-bound tasks on large images. A system equipped with a display terminal is ideally suited for interactive tasks. Software procurement is a limiting factor for most end users, and software availability may well be the overriding consideration in selecting a particular hardware configuration. The hardware chosen should be selected to be compatible with the software and with concern for future expansion.

Danielson, R.↗

NASA NTRS1991

On the dependence of travelling wave stability on basic state wave phase speed

The dependence of stability on basic state wave phase speed is examined in a nondivergent barotropic model on a sphere for planetary scale waves with phase speeds typical of waves observed in the atmosphere. Triad interactions are examined analytically and compared to numerical results from a full spectral model. A number of triads may result in growth of the perturbation components for each basic state wave; for each triad there is a basic state wave phase speed where it is resonant, identified as the point where the critical amplitude for instability to that perturbation becomes zero. Critical amplitudes for instability obtained using the full spectral model generally agree well with triad results. Since the basic state wave phase speed determines which triad will grow, spatial structure and critical amplitudes for instability for the growing disturbances depend strongly on basic state wave phase speed. The results of this idealized study suggest that phase speed may be an important factor in determining the stability of planetary scale waves in the atmosphere.

Manney, Gloria L.↗

NASA NTRS1994

On current compositing algorithms

Several techniques exist for compositing the multitemporal NOAA Advanced Very High Resolution Radiometer (AVHRR) data for vegetation studies. The major pixel selection criteria of these techniques rely on the characteristics of the NDVI (Normalized Difference Vegetative Index): appearance of clouds, poor atmospheric conditions, and off-nadir viewing geometries would depress the NDVI values. Consequently, selecting the pixels with the maximum value of NDVI would presumably eliminate these external perturbating effects. However, the maximum NDVI does not always correspond to these ideal conditions. In fact, the NDVI varies with these external factors in an unpredictable way. There was an indication that the maximum NDVI tended to favor the off-nadir view in the forward direction. The resultant composite product would be consequently affected. To improve the multitemporal data via compositing, therefore, both the pixel selection criteria and the classifier NDVI need to be modified or corrected for external factors. The current compositing algorithms were reviewed, and alternatives were proposed to use the combinations of the red and near infrared channels and biological characteristics of vegetation as second criteria in pixel selections. The traditional classifier NDVI was replaced with different vegetation indices. The approach was applied to an AVHRR data set over the HAPEX study site in Niger in 1992. The results showed that the approach improved the AVHRR time series quality and was promising towards the development of an efficient compositing algorithm.

Qi, J.↗

NASA NTRS1997

Development of a Device to Deploy Fluid Droplets in Microgravity

A free-floating droplet in microgravity is ideal for scientific observation since it is free of confounding factors such as wetting and nonsymmetrical heat transfer introduced by contact with surfaces. However, the technology to reliably deploy in microgravity has not yet been developed. In some recent fluid deployment experiments, droplets are either shaken off the dispenser or the dispenser is quickly retracted from the droplet. These solutions impart random residual motion to deployed droplet, which can be undesirable for certain investigations. In the present study, two new types of droplet injectors were built and tested. Testing of the droplet injectors consisted of neutral buoyancy tank tests, 5-sec drop tower tests at the NASA Lewis Zero Gravity Facility, and DC-9 tests. One type, the concentric injector, worked well in the neutral buoyancy tank but did not do well in low-gravity. However, it appeared that it makes a fine apparatus for constructing bubbles in low-gravity conditions. The other type, the T-injector, showed the most promise for future development. In both neutral buoyancy and DC-9 tests, water droplets were formed and deployed with some control and repeatability, although in low-gravity the residual velocities were higher than desirable. Based on our observations, further refinements are suggested for future development work.

Robinson, David W.↗

NASA NTRS2011

Improvements in Speed and Functionality of a 670-GHz Imaging Radar

Significant improvements have been made in the instrument originally described in a prior NASA Tech Briefs article: Improved Speed and Functionality of a 580-GHz Imaging Radar (NPO-45156), Vol. 34, No. 7 (July 2010), p. 51. First, the wideband YIG oscillator has been replaced with a JPL-designed and built phase-locked, low-noise chirp source. Second, further refinements to the data acquisition and signal processing software have been performed by moving critical code sections to C code, and compiling those sections to Windows DLLs, which are then invoked from the main LabVIEW executive. This system is an active, single-pixel scanned imager operating at 670 GHz. The actual chirp signals for the RF and LO chains were generated by a pair of MITEQ 2.5 3.3 GHz chirp sources. Agilent benchtop synthesizers operating at fixed frequencies around 13 GHz were then used to up-convert the chirp sources to 15.5 16.3 GHz. The resulting signals were then multiplied 36 times by a combination of off-the-shelf millimeter- wave components, and JPL-built 200- GHz doublers and 300- and 600-GHz triplers. The power required to drive the submillimeter-wave multipliers was provided by JPL-built W-band amplifiers. The receive and transmit signal paths were combined using a thin, high-resistivity silicon wafer as a beam splitter. While the results at present are encouraging, the system still lacks sufficient speed to be usable for practical applications in a contraband detection. Ideally, an image acquisition speed of ten seconds, or a factor of 30 improvement, is desired. However, the system improvements to date have resulted in a factor of five increase in signal acquisition speed, as well as enhanced signal processing algorithms, permitting clearer imaging of contraband objects hidden underneath clothing. In particular, advances in three distinct areas have enabled these performance enhancements: base source phase noise reduction, chirp rate, and signal processing. Additionally, a second pixel was added, automatically reducing the imaging time by a factor of two. Although adding a second pixel to the system doubles the amount of submillimeter components required, some savings in microwave hardware can be realized by using a common low-noise source.

Dengler, Robert J.↗

DOE OSTI2020

An analysis of the spatio-temporal resolution of the immersed boundary method with direct forcing

The immersed boundary method (IBM) with direct forcing is very popular in the simulation of rigid particulate flows. In the IBM, an interaction force is introduced at the interface between fluid and particle in order to approximate the no-slip boundary condition. The interaction force is calculated through dividing the velocity difference (or error) between fluid and particle at the interface by the time step. Here, a dynamic equation for the velocity difference is derived. Additionally, analyses on the dynamic equation provide a few new findings: (i) The interaction force is the solution of a least-squares error problem, with the direct implication that the Lagrangian marker distribution has no effect on the large scale flow structure once the distribution of Lagrangian markers become saturated along the interface (i.e., each marker remains properly correlated with all its neighbors); (ii) The Lagrangian volume-weight is a relaxation factor to control how fast the velocity error decays to the ideal value of zero; (iii) The optimal choice of the Lagrangian volume-weight is the largest value permissible by a stability condition. A comprehensive convergence analysis with regard to the spatial and temporal resolution is presented for the velocity error and also for the shear-stress and surface pressure. In three simple canonical problems, it is analytically and numerically shown that the IBM results converge to the theoretical solutions obtained with precise imposition of no-slip and no-penetration boundary conditions. It is observed that it is not necessary to match the Lagrangian marker volume-weight to that of the local Eulerian cell volume and in fact this matching leads to lower than optimal computational efficiency. However, it is found that extremely high Eulerian grid resolution and small time step have to be used to obtain high precision simulation results. Especially, the time step should be inversely proportional to the particle Reynolds number for low Reynolds number flows. For high frequency oscillation problems, the grid size needs to be reduced by a factor of the square root of the frequency, and the time step to be reduced by a factor of the frequency. The theoretical findings here can be used to alleviate the technical difficulties in simulating non-spherical particles by not requiring the Lagrangian marker distribution to match the Eulerian grids and also in the implementation of IBM on non-uniform Eulerian grids. The present work also provides simple practical guidance on the choice of temporal and spatial resolution so as to control the simulation error a priori.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Real-Time Tracking of Carbon Dioxide Concentration Using an Optical Microsphere Resonator Sensor

Whispering gallery mode resonator sensors are nondisruptive optical sensors that can detect and monitor perturbations in a gaseous environment. Through its resonant properties of peak wavelength, amplitude, and quality factor (Q factor), changes in concentration can be quantified within seconds and monitored over days with great stability. In addition, the small footprint, low cost, and high sensitivity are ideal properties for a disposable sensor that can be utilized in extreme environments. Further, the large Q factor of the resonant cavity enables long interaction lengths and amplifies the effect of small changes in the background refractive index, which is detectable in picometer shifts of the resonance wavelength. However, this measurement is susceptible to changes in other environmental factors such as temperature, pressure, and humidity, which manifest on the picometer wavelength scale, reinforcing the need to decouple the variables. In this work, we compare the spectral response of different diameter resonators to carbon dioxide, nitrogen, and its mixtures, observing the spectral shifting and broadening of the cavity resonance near 1550 nm. In addition, the effect of environmental temperature on spectral shifting due to the thermo-optic effect is characterized and quantified. Lastly, the gas concentrations are changed in real time to showcase the tracking and recovery capabilities of the resonator sensor.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Top-Performing Photovoltaic Cells Compared to the Shockley–Queisser Limit

Top-performing single-junction and two-terminal tandem devices that include at least one polycrystalline cell are compared with each other and their ideal limits. The parameters of open-circuit voltage, short-circuit current, and fill-factor are individually compared to the Shockley–Queisser limit to investigate where different technologies have room to improve. Technologies, such as silicon and cadmium telluride have the most room for improvement in open-circuit voltage currently utilizing 87% and 81% of their maxima, respectively. Detailed diode and fill-factor loss analysis is presented for single-junction devices to give further insight on how they compare and where efficiency is lost. Single-crystal technologies demonstrate a fill-factor closer to the Shockley–Queisser limit than polycrystalline devices. The high diode quality factor of polycrystalline devices is the leading cause of the decreased fill-factor. Similar analysis on tandem cells with at least one thin-film cell shows that although their efficiency exceeds that of the single-junction cells, the fraction of their ideal efficiency is smaller. Here, by comparing parameters to the Shockley–Queisser limit, it becomes clearer where certain technologies have the potential for improvement.

High efficiency↗