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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

SnO 2 -Catalyzed Oxidation in High-Efficiency CdTe Solar Cells

Interfaces at the front of superstrate CdTe-based solar cells are critical to carrier transport, recombination, and device performance, yet determination of the chemical structure of these nanoscale regions has remained elusive. This is partly due to changes that occur at the front interfaces during high temperature growth and substantive changes occurring during postdeposition processing. In addition, these buried interfaces are extremely difficult to access in a way that preserves chemical information. In this work, we use a recently developed thermomechanical cleaving technique paired with X-ray photoelectron spectroscopy to probe oxidation states at the SnO 2 interface of CdTe solar cells. We show that the tin oxide front electrode promotes the formation of nanometer-scale oxides of tellurium and sulfur. Most oxidation occurs during CdCl 2 /O 2 activation. Surprisingly, we show that relatively low-temperature anneals (180-260 degrees C) used to diffuse and activate copper acceptors in a doping/back contact process also cause significant changes in oxidation at the front of the cell, providing a heretofore missing aspect of how back contact processes can modify device transport, recombination, and performance. Device performance is shown to correlate with the extent of tellurium and sulfur oxidation within this nanometer-scale region. Mechanisms responsible for these beneficial effects are proposed.

14 SOLAR ENERGY↗
DOE OSTI2021

Superior photo-carrier diffusion dynamics in organic-inorganic hybrid perovskites revealed by spatiotemporal conductivity imaging

Abstract The outstanding performance of organic-inorganic metal trihalide solar cells benefits from the exceptional photo-physical properties of both electrons and holes in the material. Here, we directly probe the free-carrier dynamics in Cs-doped FAPbI 3 thin films by spatiotemporal photoconductivity imaging. Using charge transport layers to selectively quench one type of carriers, we show that the two relaxation times on the order of 1 μs and 10 μs correspond to the lifetimes of electrons and holes in FACsPbI 3 , respectively. Strikingly, the diffusion mapping indicates that the difference in electron/hole lifetimes is largely compensated by their disparate mobility. Consequently, the long diffusion lengths (3~5 μm) of both carriers are comparable to each other, a feature closely related to the unique charge trapping and de-trapping processes in hybrid trihalide perovskites. Our results unveil the origin of superior diffusion dynamics in this material, crucially important for solar-cell applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Radiation damage and associated phase change effect on photodesorption rates from ices—Lyα studies of the surface behavior of CO{sub 2}(ice)

Photodesorption from a crystalline film of CO{sub 2}(ice) at 75 K has been studied using Lyα (10.2 eV) radiation. We combine quantitative mass spectrometric studies of gases evolved and transmission IR studies of species trapped in the ice. Direct CO desorption is observed from the primary CO{sub 2} photodissociation process, which occurs promptly for CO{sub 2} molecules located on the outermost surface of the ice (Process I). As the fluence of Lyα radiation increases to ∼5.5 × 10{sup 17} photons cm{sup –2}, extensive damage to the crystalline ice occurs and photo-produced CO molecules from deeper regions (Process II) are found to desorb at a rapidly increasing rate, which becomes two orders of magnitude greater than Process I. It is postulated that deep radiation damage to produce an extensive amorphous phase of CO{sub 2} occurs in the 50 nm ice film and that CO (and CO{sub 2}) diffusive transport is strongly enhanced in the amorphous phase. Photodesorption in Process II is a combination of electronic and thermally activated processes. Radiation damage in crystalline CO{sub 2} ice has been monitored by its effects on the vibrational line shapes of CO{sub 2}(ice). Here the crystalline-to-amorphous phase transition has been correlated with the occurrence of efficient molecular transport over long distances through the amorphous phase of CO{sub 2}(ice). Future studies of the composition of the interstellar region, generated by photodesorption from ice layers on grains, will have to consider the significant effects of radiation damage on photodesorption rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Nuclear enhancement of the photon yield in cosmic ray interactions

The concept of the nuclear enhancement factor has been used since the beginning of γ-ray astronomy. It provides a simple and convenient way to account for the contribution of nuclei (A > 1) in cosmic rays (CRs) and in the interstellar medium (ISM) to the diffuse γ-ray emission. An accurate treatment of the dominant emission process, such as hadronic interactions of CRs with the ISM, enables one to study CR acceleration processes and CR propagation in the ISM, and provides a reliable background model for searches of new phenomena. The Fermi Large Area Telescope launched in 2008 provides excellent quality data in a wide energy range 30 MeV-1 TeV where the diffuse emission accounts for the majority of photons. Exploiting its data to the fullest requires a new study of the processes of γ-ray production in hadronic interactions. In this paper we point out that several commonly used studies of the nuclear enhancement factor fail to account for the spectrally averaged energy loss fraction which ensures that the energy fraction transferred to photons is averaged properly with the spectra of CR species. We present a new calculation of the spectrally averaged energy loss fraction and the nuclear enhancement factor using the QGSJET-II-04 and EPOS-LHC interaction models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Multi-resolution 3D visualization of the early stages of cellular uptake of peptide-coated nanoparticles

A detailed understanding of the cellular uptake process is essential to the development of cellular delivery strategies and to the study of viral trafficking. However, visualization of the entire process, encompassing the fast dynamics (local to the freely diffusing nanoparticle) as well the state of the larger-scale cellular environment, remains challenging. Here, we introduce a three-dimensional multi-resolution method to capture, in real time, the transient events leading to cellular binding and uptake of peptide (HIV1-Tat)-modified nanoparticles. Applying this new method to observe the landing of nanoparticles on the cellular contour in three dimensions revealed long-range deceleration of the delivery particle, possibly due to interactions with cellular receptors. Furthermore, by using the nanoparticle as a nanoscale ‘dynamics pen’, we discovered an unexpected correlation between small membrane terrain structures and local nanoparticle dynamics. This approach could help to reveal the hidden mechanistic steps in a variety of multiscale processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Two-dimensional Radiative Magnetohydrodynamic Simulations of Partial Ionization in the Chromosphere. II. Dynamics and Energetics of the Low Solar Atmosphere

We investigate the effects of interactions between ions and neutrals on the chromosphere and overlying corona using 2.5D radiative MHD simulations with the Bifrost code. We have extended the code capabilities implementing ion–neutral interaction effects using the generalized Ohm’s law, i.e., we include the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. Our models span from the upper convection zone to the corona, with the photosphere, chromosphere, and transition region partially ionized. Our simulations reveal that the interactions between ionized particles and neutral particles have important consequences for the magnetothermodynamics of these modeled layers: (1) ambipolar diffusion increases the temperature in the chromosphere; (2) sporadically the horizontal magnetic field in the photosphere is diffused into the chromosphere, due to the large ambipolar diffusion; (3) ambipolar diffusion concentrates electrical currents, leading to more violent jets and reconnection processes, resulting in (3a) the formation of longer and faster spicules, (3b) heating of plasma during the spicule evolution, and (3c) decoupling of the plasma and magnetic field in spicules. Our results indicate that ambipolar diffusion is a critical ingredient for understanding the magnetothermodynamic properties in the chromosphere and transition region. The numerical simulations have been made publicly available, similar to previous Bifrost simulations. This will allow the community to study realistic numerical simulations with a wider range of magnetic field configurations and physics modules than previously possible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

STRAHL FORMATION IN THE SOLAR WIND ELECTRONS VIA WHISTLER INSTABILITY

This Letter puts forth a possible explanation for the formation of a solar wind strahl electron distribution function by means of local wave–particle interactions. A solar wind electron consists of a core and the hot “halo” electrons, which possess a net drift speed with respect to the core. According to the present model, pitch angle scattering of the initially isotropic drifting halo occurs when the enhanced whistler waves are excited by mildly anisotropic core electrons. The pitch angle scattering primarily affects the halo moving in the anti-sunward direction, resulting in pitch angle diffusion across the 90° gap through a nonlinear scattering process, and consequently leading to a reduction in the net drift speed of halo electrons. The remaining portion of the anti-sunward moving halo, which is not affected by pitch angle scattering, simply appears to form a field-aligned strahl in the electron velocity distribution. The present scenario of local generation of the strahl is demonstrated by the particle-in-cell simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Computational framework for modeling membrane processes without process and solution property simplifications

Accurately modeling membrane processes is critical to evaluating novel process configurations, designing scalable membrane systems, informing process cost estimates, and directing future research. Most membrane process models trade accuracy for computational efficiency by employing simplified approximations of the process (i.e. no salt flux, no pressure drop) and solution properties (i.e. ideal solution, and constant density, viscosity, and diffusivity). Our report introduces a detailed one-dimensional finite difference model for evaluating membrane processes that avoids these common simplifications. We apply this model to quantify the error introduced by these simplifications for case studies of reverse osmosis, osmotically assisted reverse osmosis, forward osmosis, and pressure retarded osmosis. While the magnitude of error introduced by these simplifications is reliant on the case study parameters and specifications, we find that existing model formulations can underestimate or overestimate average water flux by nearly 50% for some membrane processes operating under standard conditions. Lastly we investigate the error introduced by simplified inlet-outlet models that do not solve the governing system of differential equations, and we assess the accuracy of novel inlet-outlet formulations that use a log and geometric mean, instead of the typical arithmetic mean, to represent non-linear water flux profiles.

42 ENGINEERING↗
DOE OSTI2018

Methane production and emissions in trees and forests

Forest ecosystem methane (CH 4 ) research has focused on soils, but trees are also important sources and sinks in forest CH 4 budgets. Living and dead trees transport and emit CH 4 produced in soils; living trees and dead wood emit CH 4 produced inside trees by microorganisms; and trees produce CH 4 through an abiotic photochemical process. Here, we review the state of the science on the production, consumption, transport, and emission of CH 4 by living and dead trees, and the spatial and temporal dynamics of these processes across hydrologic gradients inclusive of wetland and upland ecosystems. Emerging research demonstrates that tree CH 4 emissions can significantly increase the source strength of wetland forests, and modestly decrease the sink strength of upland forests. Scaling from stem or leaf measurements to trees or forests is limited by knowledge of the mechanisms by which trees transport soil-produced CH 4 , microbial processes produce and oxidize CH 4 inside trees, a lack of mechanistic models, the diffuse nature of forest CH 4 fluxes, complex overlap between sources and sinks, and extreme variation across individuals. Understanding the complex processes that regulate CH 4 source–sink dynamics in trees and forests requires cross-disciplinary research and new conceptual models that transcend the traditional binary classification of wetland vs upland forest.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Monitoring detachment and diffusion of metallic species in polycarbonate

Photon absorption is known to create peroxy radicals in polymers, in a process that entails the removal of hydrogen atoms and the subsequent breakage of bonds. Bond-breaking is found to free, from the polymeric matrix, metallic additives which are then able to diffuse out, as evidenced by the change in both the metallic fluorescence yield and the XPS profiles of C, N, and O. Polycarbonate was artificially weathered using UV radiation from mercury emission lines at 365, 405 and 435 nm, followed by thermal treatment. The UV wavelengths used have energies comparable to those of covalent bonds found in polymeric chains. Both processes, light exposure and thermal, have the purpose of stimulating the degradation of polycarbonate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

State-variable model of porous electrode batteries 1-D electrochemical/thermal behavior

Compared to full-order numerical models, the state-variable model (SVM) achieves multiple orders of reduction in computation time for simulation of electrochemical/thermal transport and reaction processes occurring inside lithium-ion and similar batteries with porous electrode construction. The model efficiently describes Li diffusion dynamics in active material and electrolyte phases, charge transfer kinetics, charge balance, and electron transport processes. The model requires a separate pre-processing step to identify SVM parameters.

Kim, Gi-Heon↗
DOE OSTI2012

THE MECHANISM OF SURFACE DIFFUSION OF H AND D ATOMS ON AMORPHOUS SOLID WATER: EXISTENCE OF VARIOUS POTENTIAL SITES

To understand elementary processes leading to H{sub 2} formation, and the hydrogenation and deuteration reactions of adsorbed species on dust grains in dense clouds, we experimentally investigated the diffusion of atomic hydrogen and deuterium on amorphous solid water (ASW) at temperatures of 8-15 K. The present study extended our previous study for selective detections of H and D atoms, and of H{sub 2} (J = 0 and 1) and D{sub 2} (J = 0 and 1) molecules adsorbed on ASW using both photo-stimulated desorption and resonance-enhanced multiphoton ionization, to investigate potential sites on ASW for diffusion, recombination dynamics, and the diffusion mechanism of H and D atoms. Our results demonstrate that the ASW surface contains various potential sites that can be categorized into at least three groups: very shallow, middle-, and deep-potential sites, with diffusion activation energies of {<=}18, 22 (23 meV for D atoms), and {>=}30 meV, respectively. The present study pictured the outline of H{sub 2} formation on cosmic ice dust at low temperatures: H atoms landing on the dust will diffuse rapidly at the abundant shallow and middle sites on ASW, and finally become trapped at deep sites. The H atoms that arrive next recombine with such trapped H atoms to yield H{sub 2} molecules. The small isotopic difference between the diffusion of H and D atoms on ASW indicates that the diffusion mechanism can be explained by thermal hopping, at least at middle-potential sites.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Enhanced Diffusive Transport in Fluctuating Porous Media

Mass transport within porous structures is a ubiquitous process in biological, geological, and technological systems. Despite the importance of these phenomena, there is no comprehensive theory that describes the complex and diverse transport behavior within porous environments. While the porous matrix itself is generally considered a static and passive participant, many porous environments are in fact dynamic, with fluctuating walls, pores that open and close, and dynamically changing cross-links. While diffusion has been measured in fluctuating structures, notably in model biological systems, it is rarely possible to isolate the effect of fluctuations because of the absence of control experiments involving an identical static counterpart, and it is generally impossible to observe the dynamics of the structure. In this paper, we present a direct comparison of the diffusion of nanoparticles of various sizes within a trackable, fluctuating porous matrix and a geometrically equivalent static matrix, in conditions spanning a range of regimes from obstructed to highly confined. The experimental system comprised a close-packed layer of colloidal spheres that were either immobilized to a planar surface or allowed to fluctuate locally, within the space defined by their nearest neighbors. Interestingly, the effective long-time diffusion coefficient was approximately 35–65% greater in the fluctuating porous matrix than in the static one (depending on the size of the nanoparticle probes), regardless of the geometric regime. This was explained by considering the enhancing effects of matrix fluctuations on the short-time diffusion coefficient and cooperative “gate-opening” motions of matrix particles and nanoparticle probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Fabrication of solar cells with counter doping prevention

A solar cell fabrication process includes printing of dopant sources over a polysilicon layer over backside of a solar cell substrate. The dopant sources are cured to diffuse dopants from the dopant sources into the polysilicon layer to form diffusion regions, and to crosslink the dopant sources to make them resistant to a subsequently performed texturing process. To prevent counter doping, dopants from one of the dopant sources are prevented from outgassing and diffusing into the other dopant source. For example, phosphorus from an N-type dopant source is prevented from diffusing to a P-type dopant source comprising boron.

14 SOLAR ENERGY↗
DOE OSTI2022

State-selective probing of CO 2 autoionizing inner valence Rydberg states with attosecond extreme ultraviolet four-wave-mixing spectroscopy

Nonlinear spectroscopies can disentangle spectra that are congested due to inhomogeneous broadening. Here, in conjunction with theoretical calculations, attosecond extreme ultraviolet (XUV) four-wave-mixing (FWM) spectroscopy is utilized to probe the dynamics of autoionizing inner valence excited Rydberg states of the polyatomic molecule, CO 2 . This tabletop nonlinear technique employs a short attosecond XUV pulse train and two noncollinear, few-cycle near-infrared pulses to generate background-free XUV wave-mixing signals. FWM emission is observed from the n=5-7 states of the Henning sharp ndσ g Rydberg series that converges to the ionic $\widetilde{B}$ 2 Σ$^{+}_{u}$ state. However, these transient emission signals decay with lifetimes of 33 ± 6, 53 ± 2, and 94 ± 2 fs, respectively, which calculations show are consistent with the lifetimes of the short-lived n=6-8 members of the nsσ g character Henning diffuse Rydberg series. The oscillator strengths of transitions between states involved in all possible resonant FWM processes are calculated, verifying that the nonlinear spectra are dominated by pathways described by an initial excitation to the diffuse nsσ g Rydberg series and emission from the sharp ndσ g Rydberg series. The results substantiate not only that attosecond XUV FWM spectroscopy produces rigorous and meaningful measurements of ultrafast dynamics in polyatomic systems, but also that nonlinear spectroscopic techniques are versatile tools to selectively probe dynamics that are otherwise difficult to access.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

THE NEXT GENERATION VIRGO CLUSTER SURVEY (NGVS). I. INTRODUCTION TO THE SURVEY

The Next Generation Virgo Cluster Survey (NGVS) is a program that uses the 1 deg{sup 2} MegaCam instrument on the Canada-France-Hawaii Telescope to carry out a comprehensive optical imaging survey of the Virgo cluster, from its core to its virial radius-covering a total area of 104 deg{sup 2}-in the u*griz bandpasses. Thanks to a dedicated data acquisition strategy and processing pipeline, the NGVS reaches a point-source depth of g Almost-Equal-To 25.9 mag (10{sigma}) and a surface brightness limit of {mu}{sub g} {approx} 29 mag arcsec{sup -2} (2{sigma} above the mean sky level), thus superseding all previous optical studies of this benchmark galaxy cluster. In this paper, we give an overview of the technical aspects of the survey, such as areal coverage, field placement, choice of filters, limiting magnitudes, observing strategies, data processing and calibration pipelines, survey timeline, and data products. We also describe the primary scientific topics of the NGVS, which include: the galaxy luminosity and mass functions; the color-magnitude relation; galaxy scaling relations; compact stellar systems; galactic nuclei; the extragalactic distance scale; the large-scale environment of the cluster and its relationship to the Local Supercluster; diffuse light and the intracluster medium; galaxy interactions and evolutionary processes; and extragalactic star clusters. In addition, we describe a number of ancillary programs dealing with 'foreground' and 'background' science topics, including the study of high-inclination trans-Neptunian objects; the structure of the Galactic halo in the direction of the Virgo Overdensity and Sagittarius Stream; the measurement of cosmic shear, galaxy-galaxy, and cluster lensing; and the identification of distant galaxy clusters, and strong-lensing events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

IR spectroscopic quantification of small molecule transport and desorption phenomena in polymers

The application, continued performance, and degradation behavior of polymers often depends on their interaction with small organic or gaseous volatiles. Understanding the underlying permeation and diffusion properties of materials is crucial for predicting their barrier properties (permeant flux), drying behavior, solvent loss or tendency to trap small molecules, as well as their interaction with materials in the vicinity due to off-gassing phenomena, perhaps leading to compatibility concerns. Further, the diffusion of low Mw organics is also important for mechanistic aspects of degradation processes. Based on our need for improved characterization methods, a FTIR-based spectroscopic gas/volatile quantification setup was designed and evaluated for determination of the diffusion, desorption and transport behavior of small IR-active molecules in polymers. At the core of the method, a modified, commercially available IR transmission gas cell monitors time-dependent gas concentration. Appropriate experimental conditions, e.g. desorption or permeation under continuous flow or static gas conditions, are achieved using easily adaptable external components such as flow controllers and sample ampoules. This study presents overview approaches using the same IR detection methodology to determine diffusivity (desorption into a static gas environment, continuous gas flow, or intermittent desorption) and permeability (static and dynamic flow detection). Further, the challenges encountered for design and setup of IR gas quantification experiments, related to calibration and gas interaction, are presented. These methods establish desorption and permeation behavior of solvents (water and methanol), CO 2 off-gassing from foam, and offer simultaneous measurements of the permeation of several gases in a gas mixture (CO 2 , CO and CH 4 ) through polymer films such as epoxy and Kapton. They offer complementary guidance for material diagnostics and understanding of basic properties in sorption and transport behavior often of relevance to polymer degradation or materials reliability phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2026

15.3% AM1.5G Efficiency GaAs Solar Cells Fabricated via an Epitaxy-Free Process

Here, we report simple and potentially low-cost techniques for creating high-quality n-type gallium arsenide (GaAs) and GaAs p/n junctions and fabricate GaAs p/n junction solar cells. Detailed-balance modeling suggests that 20% AM1.5G efficiency p/n homojunction devices may be possible if the surface doping concentration can be limited to values less than ∼ 5 × 10 19 cm −3 . Our process exploits an open-tube, vapor-phase, deposition-free, zinc diffusion technique for forming p-type layers in melt-grown n-GaAs substrates that results in sheet resistances less than 1 kΩ/$\square$. In addition, we have improved the minority carrier diffusion lengths of melt-grown GaAs from less than one micron to over five microns using an open-tube, vacuum-free, annealing process which reduces the density of EL2 midgap defects. Finally, we have combined these advances to fabricate epitaxy-free, GaAs solar cells with a validated AM1.5G efficiency of 15.3%.

14 SOLAR ENERGY↗