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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Journal paper

Laser technology is being widely studied for controlled energy deposition for a range of applications, including flow control, ignition, combustion, and diagnostics. The absorption and scattering of laser radiation by liquid droplets in aerosols affects propagation of the laser beam in the atmosphere, while the ignition and combustion characteristics in combustion chambers are influenced by the evaporation rate of the sprayed fuel. In this work, we present a mathematical model built on OpenFOAM for laser heating and evaporation of a single droplet in the diffusion-dominated regime taking into account absorption of the laser radiation, evaporation process, and vapor flow dynamics. The developed solver is validated against available experimental and numerical data for heating and evaporation of ethanol and water droplets. The two main regimes—continuous and pulsed laser heating—are explored. For continuous laser heating, the peak temperature is higher for larger droplets. For pulsed laser heating, when the peak irradiance is close to transition to the boiling regime, the temporal dynamics of the droplet temperature does not depend on the droplet size. With the empirical normalization of time, the dynamics of the droplet shrinkage and cooling are found to be independent of droplet sizes and peak laser intensities.

42 ENGINEERING↗
DOE OSTI2022

Numerical Modeling of Laser Heating and Evaporation of a Single Droplet

Laser technology is being widely studied for controlled energy deposition for a range of applications, including flow control, ignition, combustion, and diagnostics. The absorption and scattering of laser radiation by liquid droplets in aerosols affects propagation of the laser beam in the atmosphere, while the ignition and combustion characteristics in combustion chambers are influenced by the evaporation rate of the sprayed fuel. In this work, we present a mathematical model built on OpenFOAM for laser heating and evaporation of a single droplet in the diffusion-dominated regime taking into account absorption of the laser radiation, evaporation process, and vapor flow dynamics. The developed solver is validated against available experimental and numerical data for heating and evaporation of ethanol and water droplets. The two main regimes—continuous and pulsed laser heating—are explored. For continuous laser heating, the peak temperature is higher for larger droplets. For pulsed laser heating, when the peak irradiance is close to transition to the boiling regime, the temporal dynamics of the droplet temperature does not depend on the droplet size. With the empirical normalization of time, the dynamics of the droplet shrinkage and cooling are found to be independent of droplet sizes and peak laser intensities.

42 ENGINEERING↗
DOE OSTI2025

Measurement and Modeling of Polarized Atmosphere at the South Pole with SPT-3G

We present the detection and characterization of fluctuations in linearly polarized emission from the atmosphere above the South Pole. These measurements make use of data from the SPT-3G receiver on the South Pole Telescope in three frequency bands centered at 95, 150, and 220 GHz. We use the cross-correlation between detectors to produce an unbiased estimate of the power in Stokes I, Q, and U parameters on large angular scales. Our results are consistent with the polarized signal being produced by the combination of Rayleigh scattering of thermal radiation from the ground and thermal emission from a population of horizontally aligned ice crystals with an anisotropic distribution described by Kolmogorov turbulence. The measured spatial scaling, frequency scaling, and elevation dependence of the polarized emission are explained by this model. Polarized atmospheric emission has the potential to significantly impact observations on the large angular scales being targeted by searches for inflationary B-mode CMB polarization. We present the distribution of measured angular power spectrum amplitudes in Stokes Q and I for 4 yr of Austral winter observations, which can be used to simulate the impact of atmospheric polarization and intensity fluctuations at the South Pole on a specified experiment and observation strategy. We present a mitigation strategy that involves both downweighting significantly contaminated observations and subtracting a polarized atmospheric signal from the 150 GHz band maps. In observations with the SPT-3G instrument, the polarized atmospheric signal is a well-understood and subdominant contribution to the measured noise after implementing the mitigation strategies described here.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Physics-Guided Machine Learning for Prediction of Cloud Properties in Satellite-Derived Solar Data: Preprint

With over 20 years of high-resolution surface irradiance data covering most of the western hemisphere, the National Solar Radiation Database (NSRDB) is a vital public data asset. The NSRDB uses a two-step Physical Solar Model (PSM) that explicitly considers the effects of clouds and other atmospheric variables on radiative transfer. High-quality physical and optical cloud properties derived from satellite imagery are perhaps the most important data input to the PSM, representing the greatest source of radiation attenuation and scattering. However, traditional methods for cloud property retrieval have their own limitations and are unable to accurately predict cloud properties outside of nominal conditions. We introduce a physics-guided neural network that can accurately predict cloud properties when traditional methods fail or are inaccurate. Using this framework, we show reductions in relative Root Mean Square Error (RMSE) for Global Horizontal Irradiance (GHI) up to 13 percentage points for timesteps that previously had missing or low-quality cloud property data. We expect that this methodology will be effective in improving the quality of cloud property and solar irradiance data in the NSRDB.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2026

Measurement of the Hubble constant with high-energy neutrinos

Measuring distances in the Universe is one of the hardest problems in physics and astronomy. Almost every distance probe relies on photons, whose propagation across cosmic distances introduces extinction, absorption, scattering, and radiative-transfer effects. Neutrinos suffer none of these and propagate unattenuated through dust, intergalactic medium, and dense source environments alike. We introduce a new distance-ladder method for measuring the Hubble constant $H_0$ using high-energy astrophysical neutrinos from point sources as standardizable candles, and report its first observational realization. Using 12 X-ray-selected Seyfert galaxies for which IceCube reports significant per-source neutrino excesses in its 14-year public point-source release, we exploit the disk-corona correlation $L_ν= κ\, L_X^β$ between neutrino and X-ray luminosities to construct a neutrino distance ladder anchored by non-redshift distances to NGC 1068 (Cepheid + TRGB). We find $H_0 = 49^{+40}_{-30}\,\mathrm{km\,s^{-1}\,Mpc^{-1}}$ and $β= 0.67^{+0.16}_{-0.25}$ (68% credible intervals), with the corona slope disfavoring the calorimetric limit $β= 1$ at ${\sim}2σ$. The result is consistent with existing $H_0$ determinations from Planck and SH0ES within 1$σ$. While the uncertainty on $H_0$ is large, the measurement is free of electromagnetic propagation systematics and demonstrates the viability of neutrinos as a novel cosmographical probe.

Herrera, Gonzalo [MIT, MKI; Harvard U.] (ORCID:000↗
DOE OSTI2021

Flavor-dependent radiative corrections in coherent elastic neutrino-nucleus scattering

We calculate coherent elastic neutrino-nucleus scattering cross sections on spin-0 nuclei (e.g. 40 Ar and 28 Si) at energies below 100 MeV within the Standard Model and account for all effects of permille size. We provide a complete error budget including uncertainties at nuclear, nucleon, hadronic, and quark levels separately as well as perturbative error. Our calculation starts from the four-fermion effective field theory to explicitly separate heavy-particle mediated corrections (which are absorbed by Wilson coefficients) from light-particle contributions. Electrons and muons running in loops introduce a non- trivial dependence on the momentum transfer due to their relatively light masses. These same loops, and those mediated by tau leptons, break the flavor universality because of mass-dependent electromagnetic radiative corrections. Nuclear physics uncertainties significantly cancel in flavor asymmetries resulting in subpercent relative errors. We find that for low neutrino energies, the cross section can be predicted with a relative precision that is competitive with neutrino-electron scattering. We highlight potentially useful applications of such a precise cross section prediction ranging from precision tests of the Standard Model, to searches for new physics and to the monitoring of nuclear reactors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Deployment of a double scatter system for directional detection of background neutron radiation

The detection of special nuclear materials (SNM) requires the understanding of nuclear signatures that allow the discrimination against background. In particular, understanding neutron background characteristics such as count rates and energies and their correlations with environmental conditions and surroundings of measurement locations is important in enhancing SNM detection capabilities. The Mobile Imager of Neutrons for Emergency Responders (MINER) was deployed for 8 weeks in downtown San Francisco (CA) to study such neutron background characteristics in an urban environment. Of specific interest was the investigation of the impact of surrounding buildings on the neutron background count rates and to answer the question whether buildings act as absorber of neutrons or as sources via the so-called ship effect. MINER consists of 16 liquid scintillator detector elements and can be operated as a neutron spectrometer, as a neutron imager, or simply as a counter of fast neutrons. As expected, the neutron background rate was found to be inversely proportional to the atmospheric pressure. In the energy range where MINER is most sensitive, approximately 1–10 MeV, it was found that the shape of the detected background spectrum is similar to that of a detected fission spectrum, indicating the limited discrimination power of the neutron energy. The similarities between the detected background neutron spectrum and fission sources makes it difficult to discriminate SNM from background based solely on the energies observed. The images produced using maximum likelihood expectation maximization revealed that neutrons preferentially are coming from areas in the environment that have open sky, indicating that the surrounding buildings act as absorbers of neutrons rather than sources as expected by the ship effect. Here, the inherent properties of a neutron scatter camera limit the achievable image quality and the effective deployment to systematically map neutron background signatures due to the low count rate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Measuring signatures in photon angular spectra to distinguish nonlinear Compton scattering models

The collision of a high-energy electron beam with a laser pulse may be used to study radiation reaction and nonlinear Compton scattering among many other processes in strong-field quantum electrodynamics. Predictions from simulation and theory for these interactions rely on a number of approximations and assumptions that have not been experimentally tested. Here, experimentally measurable signatures are identified that might be able to distinguish between radiation reaction models, i.e., classical or quantum, or between the local constant field and local monochromatic approximations used to calculate the properties of the nonlinear Compton process. These signatures are considered through Monte Carlo simulations of various experimental conditions that are relevant to today's laser facilities. Potential detection schemes for measuring the signatures are proposed. We find that single-photon counting of keV photons to resolve harmonics and scintillator-based detection of MeV photons may allow us to validate nonlinear Compton scattering models and radiation reaction models respectively. This will require electron beams with divergence angles less than 2 mrad and less than 20% energy spread.

Russell, Brandon K↗
DOE OSTI2024

Aerosol hygroscopicity over the southeast Atlantic Ocean during the biomass burning season – Part 1: From the perspective of scattering enhancement​​​​​​​

Aerosol hygroscopicity plays a vital role in aerosol radiative forcing. One key parameter describing hygroscopicity is the scattering enhancement factor, f(RH), defined as the ratio of the scattering coefficient at humidified relative humidity (RH) to its dry value. Here, we utilize the f(80 %) from ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) 2016 and 2018 airborne measurements to investigate the hygroscopicity of aerosols, its vertical distribution, its relationship with chemical composition, and its sensitivity to organic aerosol (OA) hygroscopicity over the southeast Atlantic (SEA) Ocean during the biomass burning (BB) season. We found that aerosol hygroscopicity remains steady above 2 km, with a mean f(80 %) of 1.40 ± 0.17. Below 2 km, aerosol hygroscopicity increases with decreasing altitude, with a mean f(80 %) of 1.51 ± 0.22, consistent with higher values of BB aerosol hygroscopicity found in the literature. The hygroscopicity parameter of OA (κ OA ) is retrieved from the Mie model with a mean value of 0.11 ± 0.08, which is in the middle to upper range compared to the literature. Higher OA hygroscopicity is related to aerosols that are more aged, oxidized, and present at lower altitudes. The enhanced biomass burning aerosol (BBA) hygroscopicity at lower altitudes is mainly due to a lower OA fraction, increased sulfate fraction, and greater κ OA at lower altitudes. We propose a parameterization that quantifies f(RH) with chemical composition and κOA based on Mie simulation of internally mixed OA–(NH 4 ) 2 SO 4 –BC mixtures. The good agreement between the predictions and the ORACLES measurements implies that the aerosols in the SEA during the BB season can be largely represented by the OA–(NH 4 ) 2 SO 4 –BC internal mixture with respect to the f(RH) prediction. The sensitivity of f(RH) to κ OA indicates that applying a constant κ OA is only suitable when the OA fraction is low and κ OA shows limited variation. However, in situations deviating these two criteria, κ OA can notably impact scattering coefficients and aerosol radiative effect; therefore, accounting for κ OA variability is recommended.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Inclusive jet and hadron suppression in a multistage approach

We present a new study of jet interactions in the quark-gluon plasma created in high-energy heavy-ion collisions, using a multistage event generator within the jetscape framework. We focus on medium-induced modifications in the rate of inclusive jets and high transverse momentum (high-p T ) hadrons. Scattering-induced jet energy loss is calculated in two stages: a high virtuality stage based on the matter model, in which scattering of highly virtual partons modifies the vacuum radiation pattern, and a second stage at lower jet virtuality based on the LBT model, in which leading partons gain and lose virtuality by scattering and radiation. Coherence effects that reduce the medium-induced emission rate in the matter phase are also included. The TRENTO model is used for initial conditions, and the (2 + 1)dimensional VISHNU model is used for viscous hydrodynamic evolution. Jet interactions with the medium are modeled via 2-to-2 scattering with Debye screened potentials, in which the recoiling partons are tracked, hadronized, and included in the jet clustering. Holes left in the medium are also tracked and subtracted to conserve transverse momentum. Calculations of the nuclear modification factor (R AA ) for inclusive jets and high-p T hadrons are compared to experimental measurements at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC). Within this framework, we find that with one extra parameter which codifies the transition between stages of jet modification—along with the typical parameters such as the coupling in the medium, the start and stop criteria, etc.—we can describe these data at all energies for central and semicentral collisions without a rescaling of the jet transport coefficient q.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Scanning structural mapping at the Life Science X-ray Scattering Beamline

This work describes the instrumentation and software for microbeam scattering and structural mapping at the Life Science X-ray Scattering (LiX) beamline at NSLS-II. Using a two-stage focusing scheme, an adjustable beam size between a few micrometres and a fraction of a millimetre is produced at the sample position. Scattering data at small and wide angles are collected simultaneously on multiple Pilatus detectors. A recent addition of an in-vacuum Pilatus 900k detector, with the detector modules arranged in a C-shaped configuration, has improved the azimuthal angle coverage in the wide-angle data. As an option, fluorescence data can be collected simultaneously. Fly scans have been implemented to minimize the time interval between scattering patterns and to avoid unnecessary radiation damage to the sample. For weakly scattering samples, an in-vacuum sample environment has been developed here to minimize background scattering. Data processing for these measurements is highly sample-specific. To establish a generalized data process workflow, first the data are reduced to reciprocal coordinates at the time of data collection. The users can then quantify features of their choosing from these intermediate data and construct structural maps. As examples, results from in-vacuum mapping of onion epidermal cell walls and 2D tomographic sectioning of an intact poplar stem are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improving Common PV Module Temperature Models by Incorporating Radiative Losses to the Sky

PV module operating temperature is the second-most important factor influencing PV system yield–after irradiance–and a substantial contributor to uncertainty in energy system yield predictions. Models commonly used to predict operating temperature in system simulations are based on a simplified energy balance that lumps together different heat loss mechanisms–including radiation–and assumes an overall linear behavior. Radiative heat loss to the sky is usually substantial, but modeling it accurately requires additional information about down-welling long-wave radiation or sky temperature and increases the complexity of temperature model equations. In this work we show how radiative losses to the sky can be separated into two parts to improve the accuracy of modeling without additional complexity. We also predict and demonstrate the variation of these losses at different tilt angles and show that the effective view factor is reduced by the non- isotropic distribution of down-welling long-wave radiation. Finally, we demonstrate substantial reduction in bias (MBE) and scatter (RMSE) when the new radiative loss term is added to the Faiman model using one year of measurements at Sandia National Labs.

14 SOLAR ENERGY↗
DOE OSTI2020

Quantum Hamiltonian for the surface charge density on a ring torus and radiative decay of plasmons

Photon scattering and the ensuing excitation of surface plasmons in single rings, single composite rings, and many-ring systems was recently shown to provide dispersion and field distributions [K. V. Garapati et al., J. Phys. Commun. 2, 015031 (2018)] of potential for specific applications in particle and molecular trapping [R. Alaee et al., Appl. Phys. Lett. 109, 141102 (2016); M. Salhi et al., Phys. Rev. A 92, 033416 (2015)], in addition to metamaterials and sensing. Furthermore, following photon or electron interactions with metallic nanorings, both radiative and nonradiative decay channels are important in the consideration of the nanoparticle as a photon or phonon source, and in related applications. In this work, we quantize the electronic normal modes of the ring torus and obtain the radiative decay of plasmons. Due to a geometry-related complexity, we employ a perturbation approach to obtain analytical expressions for the radiative decay channel for a vacuum bounded single solid nanoring. In quantizing the fields, the frequency spectrum of the charge density normal modes of the nanoring is obtained and shown to agree with the exact quasistatic plasmon dispersion relations. Higher-order corrections beyond the presented zero- and first-order calculations may be obtained following the presented results. The results are of potential interest in quantum sensing such as entangling photons and plasmons, or plasmons and trapped molecules.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

CHESS 2025: Leaf Area Index (LAI) for meadow, shrub, tree, and understory vegetation

This dataset contains Leaf Area Index (LAI) measurements made as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Data were collected in the Upper Gunnison Basin, Colorado, across three study domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). Field observations of LAI were collected within 72 hours of airborne data collection by the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. LAI measurements were collected using the LICOR LAI-2200C Plant Canopy Analyzer following protocols outlined in the instrument manual (LI-COR 2019). Sampling targeted four distinct vegetation types: meadows, shrubs, trees, and aspen forest understory. We have archived data separately by site type because different field methods were used for each. At meadow sites, measurements were made at the four corners of 1m x 1m plots, with the instrument moving inward toward the center of the plot. At shrub sites, we measured the canopies of individual shrubs. At tree sites, we made measurements within a 10m x 10m subplot centered around a focal tree, with 30 observations taken on a regular grid. At aspen understory sites, we measured overstory trees following the tree protocol and understory herbaceous vegetation following the meadow protocol. All measurements included above-canopy (A) and below-canopy (B) readings, with specific protocols for scattering correction measurements in direct-sun conditions. Data were processed using the R package `rlai` (Worsham 2025). This package includes functions to calculate LAI, gap fraction, apparent clumping factor (Ω), scattering correction, and other canopy metrics. Package contents: Full file descriptions appear in ‘flmd.csv’. Files named according to the convention ‘lai_*_summary_data_cleaned.csv’ contain summary values of LAI, apparent clumping factor (Ωapp), and scattering correction factors for each site. These are the analysis-ready products that most data users will work with. Files named ‘lai_*_metadata_cleaned.csv’ contain additional site-level observations made during field collection. We have also archived intermediate and supplementary data for users who wish to check our processing approach or apply alternative methods. ‘raw_lai_2200C.zip’ contains the raw files as read from the LI-COR instrument, with no processing applied, in TXT format. The zip archive contains subdirectories by site type, which are further subdivided by sampling area. Filenames correspond to the sampling site number. ‘intermediate_results.zip’ contains detailed output from the processing routines, in JSON format. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘scattering_correction_logs.zip’ contains logfiles from the implementation of Kobayashi et al.'s (2013) scattering correction algorithm. The logfiles report values of several parameters at each iteration of the algorithm, as the model converges toward a stable solution. They are intended for users who want to verify scattering correction performance. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘spot_checks.csv’ reports LAI and other values for a small number of files processed with LI-COR FV2200 software (LI-COR 2013) using the same control parameters as in our R-based approach. Additional metadata are provided in a data dictionary describing column names and definitions (dd.csv), and in a file-level metadata file (flmd.csv). All zip files can be expanded with common archive utilities. TXT, CSV, and JSON files can be ingested into R or Python computing environments or read in common text editor utilities. Geospatial information: Geospatial data for mapping measurement site locations are in the files CHESS_polygons_lai_UTM.geojson, CHESS_polygons_shrub_UTM.geojson, and CHESS_polygons_meadow_UTM.geojson in the companion geospatial package for the 2025 CHESS campaign, ‘CHESS 2025: Location data for field observations and sampling’ (Henderson et al., 2026). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. * Todorov and Worsham are co–first authors.

2018 NEON and 2025 CHESS Campaigns↗
DOE OSTI2024

Hard jet substructure in a multistage approach

We present predictions and postdictions for a wide variety of hard jet-substructure observables using a multistage model within the framework. The details of the multistage model and the various parameter choices are described in []. A novel feature of this model is the presence of two stages of jet modification: a high-virtuality phase [modeled using the modular all twist transverse-scattering elastic-drag and radiation model ()], where modified coherence effects diminish medium-induced radiation, and a lower virtuality phase [modeled using the linear Boltzmann transport model ()], where parton splits are fully resolved by the medium as they endure multiple scattering induced energy loss. Energy-loss calculations are carried out on event-by-event viscous fluid dynamic backgrounds constrained by experimental data. The uniform and consistent descriptions of multiple experimental observables demonstrate the essential role of modified coherence effects and the multistage modeling of jet evolution. Using the best choice of parameters from [], and with no further tuning, we present calculations for the medium modified jet fragmentation function, the groomed jet momentum fraction z g and angular separation r g distributions, as well as the nuclear modification factor of groomed jets. These calculations provide accurate descriptions of published data from experiments at the Large Hadron Collider. Furthermore, we provide predictions from the multistage model for future measurements at the BNL Relativistic Heavy Ion Collider. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Tuning Organic Semiconductor Packing and Morphology through Non-equilibrium Solution Processing (Final Report)

Organic semiconductors (OSCs) are a promising candidate to produce low-cost, large area, and flexible electronics. There has previously been successful development of organic field effect transistors (OFETs), photovoltaics (OPV), and bioelectronics using OSCs. Solution processing of these materials allows for the fabrication of large-area devices in the kinetic crystallization regime. The charge transport capabilities have been shown to depend on the morphology and molecular packing of the OSC within thin films. Our hypothesis is that solution processing conditions may significantly impact OSC morphology and as a result the charge transport. Therefore, this work has focused on obtaining a fundamental understanding of the morphology and molecular packing of OSCs for optimal device performance. Through our work, we have gained a better understanding of how these structural conditions were influenced by the solution processing conditions. Our studies have led to a more systematic understanding of the various parameters that impact OSC morphology. Solution processing leads to non-equilibrium films, thus allowing for the formation of diverse morphologies that are inaccessible by other fabrication methods. Previously, our group has focused on tuning the morphology of small-molecular OSCs [53, 55-57]. However, little work had been devoted to polymer OSCs. There was a lack of detailed studies characterizing the solution-state of polymer OSCs in terms of their conformation, degree of entanglement, polymer aggregation, and chain relaxation dynamics. The solution state properties are also likely to be influenced by the rigidity and molecular weight of the polymer OSCs investigated. Thus, we have focused our attention on gaining a better insight of polymer OSC films and solution processing methods. Through this proposal, our approach is to investigate the correlation between solution-state properties and the morphology of the resulting polymer OSC films. We worked three specific aims: investigate the effects of 1) polymer OSC solution-state properties on final film morphology; 2) molecular additives on the solution-state and final film properties; 3) controlled pre-aggregation in the solution-state in the final film morphology. More rigid and planar polymer backbones should promote interchain charge transport and more efficient interchain hopping between polymer chains. Through tailoring the polymer backbone, polymer sidechains, and molecular weight, we expected the altered solution-state properties to affect the final film morphology. In addition, reducing the entanglements and promoting chain alignment will likely prevent charge carrier trapping through conformation disorders. We thus studied different mechanisms, such as molecular additives, to reduce entanglements in solution. Devices fabricated from these solutions were expected to have improved charge transport abilities. In addition to tailoring the solution-state characteristics of the polymer OSCs, we investigated the effect of solution processing methods on the molecular packing and morphology of polymer OSC films. Two main solution processing techniques, e.g., spin-coating and solution shearing, were employed to fabricate OFETs. Spin coating was employed to prepare OSC films, which produce isotropic films. This technique creates several parameters to tune such as spin coating speed, acceleration, and time. Additionally, our research group developed the solution shearing method, which consists of the solution initially sandwiched between two plates. By sliding the top plate, the solution front is exposed and drying begins. This technique allows for the creation of aligned large crystalline domains. Solution shearing consists of different processing parameters which can affect the final morphology, such as shearing speed, substrate temperature and temperature gradient, distance between both plates, and the tilt angle of the top plate. Due to the complexity of the polymer systems investigated, numerous techniques were employed to characterize the polymer OSC solution state and films. All the materials were characterized using the DOE supported synchrotron X-ray scattering facilities at the Stanford Synchrotron Radiation Lightsource (SSRL). Using grazing incidence X-ray scattering (GIXS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) techniques, the crystalline structure and molecular orientations of the thin films were measured. Optical absorption (UV-Vis) spectroscopy was employed to determine the aggregation state in solution and films of the polymer systems. Polarized UV-Vis also allowed for the determination of the relative degree of polymer chain alignment for solution sheared films. Additionally, various other techniques were used to investigate other properties within the film, such as atomic force microscopy (AFM) and solution rheology. Finally, the device performance is quantified through the fabrication and characterization of OFETs, which will highlight the effects of morphology on charge transport.

36 MATERIALS SCIENCE↗