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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Atomic layer deposition of energy band tunable tin germanium oxide electron transport layer for the SnS-based solar cells with 400 mV open-circuit voltage

Tin germanium oxide, (Sn,Ge)O 2 , films were prepared using atomic layer deposition and tailored to a SnS absorber layer by incorporating various amounts of germanium into tin oxide to adjust band alignments at the interfaces of SnS/(Sn,Ge)O 2 photovoltaic devices. Carrier concentrations of (Sn,Ge)O 2 were suppressed from 10 20 to 10 18 cm -3 with germanium incorporation, with nitrogen doping further reducing carrier concentrations by another order of magnitude. Excellent tunability of both band energy levels and carrier concentrations of (Sn,Ge)O 2 allowed optimizing SnS-based solar cells. SnS/(Sn,Ge)O 2 :N devices were demonstrated, with an open-circuit voltage as high as 400 mV, due to the effective mitigation of interfacial recombination of photogenerated carriers at the SnS/(Sn,Ge)O 2 :N absorber-buffer heterojunction interface.

Sulfur compounds↗
DOE OSTI2018

Effective moisture penetration depth model for residential buildings: Sensitivity analysis and guidance on model inputs

Moisture buffering of building materials has a significant impact on the building's indoor humidity, and building energy simulations need to model this buffering to accurately predict the humidity. Researchers requiring a simple moisture-buffering approach typically rely on the effective-capacitance model, which has been shown to be a poor predictor of actual indoor humidity. This paper describes an alternative two-layer effective moisture penetration depth (EMPD) model and its inputs. While this model has been used previously, there is a need to understand the sensitivity of this model to uncertain inputs. In this paper, we use the moisture-adsorbent materials exposed to the interior air: drywall, wood, and carpet. We use a global sensitivity analysis to determine which inputs are most influential and how the model's prediction capability degrades due to uncertainty in these inputs. We then compare the model's humidity prediction with measured data from five houses, which shows that this model, and a set of simple inputs, can give reasonable prediction of the indoor humidity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

BioSiting Tool (BioSiting) v2

The BioSiting Tool provides a geospatial interface for analyzing bioeconomy resources and infrastructure across the continental U.S. The tool integrates empirical and modeled data from a broad range of sources. Bioeconomy resources mapped in the tool include agricultural residues, forest residues, municipal solid waste streams, food waste, manure, fats, oils and greases and potential yields of energy crops. Infrastructure mapped in the tool includes biorefineries, material recovery facilities, anaerobic digesters, wastewater treatment plants, combustion plants, district energy systems, crude oil pipelines, petroleum pipelines, natural gas pipelines, railways and freight terminals. Additional data layers include environmental justice indicators at the census tract level and carbon dioxide geologic storage potential. Users can select a location on the map, define a buffer radius in kilometers and generate an inventory of all bioecomony resources within the buffer zone. Data from the tool can be downloaded from individual buffer zones, or at the state or national level.

Huntington, Tyler↗
NASA NTRS1971

Compatibility of buffered uranium carbides with tungsten.

Results of compatibility tests between tungsten and hyperstoichiometric uranium carbide alloys run at 1800 C for 1000 and 2500 hours. These tests compared tungsten-buffered uranium carbide with tungsten-buffered uranium-zirconium carbide. The zirconium carbide addition appeared to widen the homogeneity range of the uranium carbide, making additional carbon available for reaction. Reaction layers could be formed by either of two diffusion paths, one producing UWC2, while the second resulted in the formation of W2C. UWC2 acts as a diffusion barrier for carbon and slows the growth of the reaction layer with time, while carbon diffusion is relatively rapid in W2C, allowing equilibrium to be reached in less than 2500 hours at a temperature of 1800 C.

Phillips, W. M.↗
NASA NTRS1997

Continued Development of the Discontinuous Galerkin Method for Computational Aeroacoustic Applications

The formulation and the implementation of boundary conditions within the context of the quadrature-free form of the discontinuous Galerkin method are presented for several types of boundary conditions for the Euler equations. An important feature of the discontinuous Galerkin method is that the interior point algorithm is well behaved in the neighborhood of the boundary and requires no modifications. This feature leads to a simple and accurate treatment for wall boundary conditions and simple inflow and outflow boundary conditions. Curved walls are accurately treated with only minor changes to the implementation described in earlier work. The 'perfectly matched layer' approach to nonreflecting boundary conditions is easily applied to the discontinuous Galerkin. The compactness of the discontinuous Galerkin method makes it better suited for buffer-zone-type methods than high-order finite-difference methods. Results are presented for wall, characteristic inflow and outflow, and nonreflecting boundary conditions.

Atkins, H. L.↗
DOE OSTI2024

Are Marine Low Cloud Droplet Concentrations Buffered by Entrained Aitken‐Mode Aerosol (Final Technical Report)

During the summertime, the high-latitude oceans come to life with green phytoplankton, which gain their energy from sunlight and are food for sea creatures small and large. When the phytoplankton are eaten or die, sulfur-rich gases are released under the ocean surface and mix into the air. Observations suggest that, over the Southern Ocean, frequent storms lift this air high into the atmosphere while raining out particulates like salt. As a result, the sulfur-rich air then spawns high concentrations of small ‘Aitken-mode’ aerosol particles. We hypothesize that these particles work their way down into the marine boundary layer, where they can replenish the supply of cloud-condensation nuclei scavenged by frequent precipitation. Further, this process maintains high concentrations of liquid cloud droplets in austral summer, promoting more sunlight to be reflected to space. We call this ‘Aitken buffering’. The primary objective of this project has been to document and test what role Aitken-mode aerosols play in clouds over the Southern Ocean and elsewhere. This effort has included three main components: 1) developing a computer model that realistically simulates the aerosol processes and the small-scale turbulent air motions that move aerosols around and create the clouds, 2) using that model to interpret and extend these observations for process understanding, by allowing different factors that contribute to the aerosol budget, such as surface wind speed, precipitation, surface gas exchange, etc. to be separated, and 3) studying Aitken-mode aerosol and its variability with a focus over the Southern Ocean and Antarctica, using data from Atmospheric Radiation Measurement (ARM) sites and other available observations. Initial computer studies in more idealized conditions found that elevated concentrations of Aitken-mode aerosols above the clouds could help prevent the breakup of those clouds by acting as cloud-condensation nuclei after they were entrained into the cloudy boundary layer. Simulations of a day during the ACE-ENA field campaign showed that Aitken-mode aerosols could also prevent cloud breakup under more realistic conditions. A new method that extracts information about Aitken-mode aerosols from measurements of aerosols onto which cloud droplets can form finds that Aitken-mode aerosols do vary seasonally over the Southern Ocean, with a peak in summertime, as described above. Other work during this project has focused on understanding how patterns of water vapor, clouds and precipitation are coupled within low-lying clouds over the oceans, and also on how cloud droplets cluster within clouds and how the distribution of cloud droplet sizes change as dry air is mixed into clouds, with the latter studies also using observations from ACE-ENA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO{sub 3}-buffered ferroelectric BaTiO{sub 3} film on GaAs

The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO{sub 3} thin films grown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO{sub 3} grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. Here, we use a combination of aberration-corrected scanning transmission electron microscopy and first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectric polarization of a BaTiO{sub 3} thin film grown on GaAs. We demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO{sub 3}), and propose that the presence of surface charge screening allows the formation of switchable domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

The Kinematics of Turbulent Boundary Layer Structure

The long history of research into the internal structure of turbulent boundary layers has not provided a unified picture of the physics responsible for turbulence production and dissipation. The goals of the present research are to: (1) define the current state of boundary layer structure knowledge; and (2) utilize direct numerical simulation results to help close the unresolved issues identified in part A and to unify the fragmented knowledge of various coherent motions into a consistent kinematic model of boundary layer structure. The results of the current study show that all classes of coherent motion in the low Reynolds number turbulent boundary layer may be related to vortical structures, but that no single form of vortex is representative of the wide variety of vortical structures observed. In particular, ejection and sweep motions, as well as entrainment from the free-streem are shown to have strong spatial and temporal relationships with vortical structures. Disturbances of vortex size, location, and intensity show that quasi-streamwise vortices dominate the buffer region, while transverse vortices and vortical arches dominate the wake region. Both types of vortical structure are common in the log region. The interrelationships between the various structures and the population distributions of vortices are combined into a conceptual kinematic model for the boundary layer. Aspects of vortical structure dynamics are also postulated, based on time-sequence animations of the numerically simulated flow.

Robinson, Stephen Kern↗
DOE OSTI2019

Ultra-Long-Term Reliable Encapsulation Using an Atomic Layer Deposited HfO 2 /Al 2 O 3 /HfO 2 Triple-Interlayer for Biomedical Implants

Long-term packaging of miniaturized, flexible implantable medical devices is essential for the next generation of medical devices. Polymer materials that are biocompatible and flexible have attracted extensive interest for the packaging of implantable medical devices, however realizing these devices with long-term hermeticity up to several years remains a great challenge. Here, polyimide (PI) based hermetic encapsulation was greatly improved by atomic layer deposition (ALD) of a nanoscale-thin, biocompatible sandwich stack of HfO 2 /Al 2 O 3 /HfO 2 (ALD-3) between two polyimide layers. A thin copper film covered with a PI/ALD-3/PI barrier maintained excellent electrochemical performance over 1028 days (2.8 years) during acceleration tests at 60 °C in phosphate buffered saline solution (PBS). This stability is equivalent to approximately 14 years at 37 °C. The coatings were monitored in situ through electrochemical impedance spectroscopy (EIS), were inspected by microscope, and were further analyzed using equivalent circuit modeling. The failure mode of ALD Al 2 O 3 , ALD-3, and PI soaking in PBS is discussed. Encapsulation using ultrathin ALD-3 combined with PI for the packaging of implantable medical devices is robust at the acceleration temperature condition for more than 2.8 years, showing that it has great potential as reliable packaging for long-term implantable devices.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Toward Inexpensive Photocatalytic Hydrogen Evolution: A Nickel Sulfide Catalyst Supported on a High-Stability Metal–Organic Framework

Few-atom clusters composed of nickel and sulfur have been successfully installed into the Zr(IV)-based metal–organic framework (MOF) NU-1000 via ALD-like chemistry (ALD = atomic layer deposition). Here, X-ray photoelectron spectroscopy and Raman spectroscopy are used to determine that primarily Ni 2+ and S 2– sites are deposited within the MOF. In a pH 7 buffered aqueous solution, the porous catalyst is able to produce H 2 gas at a rate of 3.1 mmol g –1 h –1 upon UV irradiation, whereas no H 2 is generated by irradiating bare NU-1000. Upon visible light irradiation, little H 2 generation was observed; however, with the addition of an organic dye, rose bengal, NiS-AIM can catalyze the production of H 2 at an enhanced rate of 4.8 mmol g –1 h –1 . These results indicate that ALD in MOFs (AIM) can engender reactivity within high surface area supports for applications in the solar fuels field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Multigrid methods and high order finite difference for flow in transition - Effects of isolated and distributed roughness elements

The high order finite difference and multigrid methods have been successfully applied to direct numerical simulation (DNS) for flow transition in 3D channels and 3D boundary layers with 2D and 3D isolated and distributed roughness in a curvilinear coordinate system. A fourth-order finite difference technique on stretched and staggered grids, a fully-implicit time marching scheme, a semicoarsening multigrid method associated with line distributive relaxation scheme, and a new treatment of the outflow boundary condition, which needs only a very short buffer domain to damp all wave reflection, are developed. These approaches make the multigrid DNS code very accurate and efficient. This makes us not only able to do spatial DNS for the 3D channel and flat plate at low computational costs, but also able to do spatial DNS for transition in the 3D boundary layer with 3D single and multiple roughness elements. Numerical results show good agreement with the linear stability theory, the secondary instability theory, and a number of laboratory experiments.

Liu, C.↗
DOE OSTI2020

Method for measurement of TRISO kernel and layer volumes by X-ray computed tomography

Layer dimensions are key parameters for as-fabricated tristructural-isotropic (TRISO) particle fuel as well as for post-irradiation examination of particle performance. Layer thicknesses are typically measured by optical microscopy of the particle cross section near mid-plane, while layer volumes are estimated with serial sectioning and microscopy. This method for measuring layer volumes is limited due to the resolution limit imposed by slice thickness and the effect of the polishing process on delicate irradiated particle microstructures. In this study, image processing software has been developed to segregate the three-dimensional (3D) TRISO particle images provided by x-ray computed tomography (XCT) into high-resolution volumetric data for the kernel, all particle layers, and any internal voids introduced during irradiation. These data can be used to analyze key in-reactor behaviors of TRISO particles such as kernel swelling or buffer shrinkage, which are important inputs for fuel performance modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Strong Pinning in Thick YBa2Cu3O7 Layers Mediated by Catalysis of a New Long-period Metastable Cuprate Phase

Catalysts are widely utilized to promote reactions in liquid and gaseous phases but are rarely encountered in solid state synthesis. Here we use catalytically active (001) ceria buffers to modify the structure of the epitaxial high temperature superconductor YBa{sub 2}Cu{sub 3}O{sub 7}. The modification is achieved by catalytically-assisted synthesis of a previously unknown metastable phase. The new phase, a long-period (3.5 nm) perovskite, intercalates into the YBa{sub 2}Cu{sub 3}O{sub 7} matrix without negatively affecting the critical temperature of the film. Analysis of electron microscopy and synchrotron x-ray diffraction data allow identification of the phase as a long-period YBa{sub 2}Cu{sub 3}O{sub 7} derivative formed through short-range cation displacement. The 0.8 {micro}m thick films exhibit strong enhancement of the critical current density, reaching a maximum of 4.2 MA/cm{sup 2} at 77 K. The result emphasizes the critical role of catalysis for synthesis of novel complex materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

GeSn p-i-n waveguide photodetectors on silicon substrates

We report an investigation on GeSn p-i-n waveguide photodetectors grown on a Ge-buffered Si wafer. In comparison with a reference Ge detector, the GeSn detector shows an enhanced responsivity in the measured energy range, mainly attributed to the smaller bandgap caused by Sn-alloying. Analysis of the quantum efficiency indicates that increasing the Sn content in the active layers can significantly shorten the required device length to achieve the maximum efficiency. The present investigation demonstrates the planar photodetectors desired for monolithic integration with electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Simplified Models of the Bicarbonate Buffer for Scaled Simulations of CO 2 Electrolyzers

Bicarbonate electrolytes are used in a range of chemical processes; however, resolved simulation of these electrolytes is difficult, as disparate reaction time scales lead to numerical stiffness and the formation of fine boundary layers. Based on several physically motivated approximations, we reduce the full set of chemical reactions within a bicarbonate electrolyte to a simpler subset, eliminating the numerical stiffness. We supported this simplification via a two-variable singular perturbation expansion and demonstrated that under neutral conditions (6 < pH < 10) typically found within a fluid-fed CO 2 electrolyzer, the simplifications lead to negligible error. Here, we also discuss two alternative simplifications, one valid at high pH and another valid at arbitrary pH. These simplifications reduce the condition number of the matrices resulting from spatiotemporal discretization by up to 10 orders of magnitude and enable three-dimensional (3D) simulation of CO 2 electrolyzers containing carbonate solutions.

10 SYNTHETIC FUELS↗
DOE OSTI2011

Bioreduction of Fe-bearing clay minerals and their reactivity toward pertechnetate (Tc-99)

99 Technetium ( 99 Tc) is a fission product of uranium-235 and plutonium-239 and poses a high environmental hazard due to its long half-life (t1/2 = 2.13 x 10 5 y), abundance in nuclear wastes, and environmental mobility under oxidizing conditions [i.e., Tc(VII)]. Under reducing conditions, Tc(VII) can be reduced to insoluble Tc(IV). Ferrous iron [Fe(II)], either in aqueous form or in mineral form, has been used to reduce Tc(VII) to Tc(IV). However, the reactivity of Fe(II) from clay minerals, other than nontronite, toward immobilization of Tc(VII) and its role in retention of reduced Tc(IV) have not been investigated. In this study the reactivity of a suite of clay minerals toward Tc(VII) reduction and immobilization was evaluated. The clay minerals chosen for this study included five members in the smectite-illite (S-I) series, (montmorillonite, nontronite, rectorite, mixed layered I-S, and illite), chlorite, and palygorskite. Fe-oxides were removed from these minerals with a modified dithionite-citrate-bicarbonate (DCB) procedure. The total Fe content of these clay minerals, after Fe-oxide removal, ranged from 0.7 to 30.4% by weight, and the Fe(III)/Fe(total) ratio ranged from 44.9 to 98.5%. X-ray diffraction (XRD) and Mossbauer spectroscopy results showed that after Fe oxide removal the clay minerals were free of Fe-oxides. Scanning electron microscopy (SEM) revealed that little dissolution occurred during the DCB treatment. Bioreduction experiments were performed in bicarbonate buffer (pH-7) with Fe(III) in the clay minerals as the sole electron acceptor, lactate as the sole electron donor, and Shewanella Putrifaciens CN32 cells as mediators. In select tubes, anthraquinone-2,6-disulfate (AQDS) was added as electron shuttle to facilitate electron transfer. The extent of Fe(III) bioreduction was the highest for chlorite (~43 wt%) and the lowest for palygorskite (~4.17 wt%). In the S-I series, NAu-2 was the most reducible (~31 %) and illite the least (~0.4 %). The extent and initial rate of bioreduction were positively correlated with the percent smectite in the S-I series (i.e., layer expandability). Fe(II) in the bioreduced clay minerals subsequently was used to reduce Tc(VII) to Tc(IV) in PIPES buffer. Similar to the trend of bioreduction, in the S-I series, reduced smectite showed the highest reactivity toward Tc(VII), and reduced illite exhibited the least. The initial rate of Tc(VII) reduction, after normalization to clay and Fe(II) concentrations, was positively correlated with the percent smectite in the S-I series. Fe(II) in chlorite and palygorskite was also reactive toward Tc(VII) reduction. These data demonstrate that crystal chemical parameters (layer expandability, Fe and Fe(II) contents, and surface area etc.) play important roles in controlling the extent and rate of bioreduction and the reactivity toward Tc(VII) reduction. Reduced Tc(IV) resides within clay mineral matrix, and this association could minimize any potential of reoxidation over long term.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Modeling the electrochemical behavior and interfacial junction profiles of bipolar membranes at solar flux relevant operating current densities

A 1-dimensional, multi-physics model that accounts for the migration and diffusion of solution species, electrostatics, and chemical reactions, in particular water dissociation (WD), at bipolar membrane (BPM) interfaces was developed to study the electrochemical behavior of bipolar membranes (BPMs) at solar flux relevant operating current densities (tens of mA cm -2 ). Significant partial current densities for WD were observed at BPM voltages much less than the equilibrium voltage, e.g., 59 mV × ΔpH from both experiments and modeling. The co-ion leakage across the BPM at pH differentials accounted for the early presence of the partial current density for WD. Two distinctive electric field dependent WD pathways, the un-catalyzed pathway and the catalyzed pathway, were quantitatively and parametrically studied to improve the turn-on potential of the BPM. The catalyzed pathway accounted for the majority of the partial current density for WD at low voltages, while the un-catalyzed pathway dominated the WD at relatively high voltages. Significant WD was observed only within the interfacial CL (<5 nm), in which a large electric field was present. To improve the electrochemical behavior and the turn-on potential of BPMs, the impacts of the pKa of the immobilized WD catalysts, the electric-field dependent rate constant, the thickness of the catalyst layer and fixed charge density in BPMs on the partial current densities for WD were studied systematically. In addition, the electrochemical behavior and concentration profiles of BPMs in a buffered electrolyte were studied and contrasted with those in an un-buffered electrolyte from both modeling and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Ultrafast Dynamics of Photoexcited Charge Carriers in In{sub 0.53}Ga{sub 0.47}As/In{sub 0.52}Al{sub 0.48}As Superlattices under Femtosecond Laser Excitation

The results of experimental studies of the time dynamics of photoexcited charge carriers in In{sub 0.53}Ga{sub 0.47}As/In{sub 0.52}Al{sub 0.48}As superlattices grown by molecular-beam epitaxy on a GaAs substrate with a metamorphic buffer are reported. On the basis of the results of the numerical simulation of band diagrams, the optimal thickness of the In{sub 0.52}Al{sub 0.48}As barrier layer (4 nm) is chosen. At this thickness, the electron wave functions in In{sub 0.53}Ga{sub 0.47}As substantially overlap the In{sub 0.52}Al{sub 0.48}As barriers. This makes it possible to attain a short lifetime of photoexcited charge carriers (τ ~ 3.4 ps) at the wavelength λ = 800 nm and the pumping power 50 mW without doping of the In{sub 0.53}Ga{sub 0.47}As layer with beryllium. It is shown that an increase in the wavelength to λ = 930 nm (at the same pumping power) yields a decrease in the lifetime of photoexcited charge carriers to τ ~ 2 ps. This effect is attributed to an increase in the capture cross section of trapping states for electrons with lower energies and to a decrease in the occupancy of traps at lower excitation densities.

36 MATERIALS SCIENCE↗