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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A comparison of light-coupling into high and low index nanostructured photovoltaic thin films

Periodically structured electrodes are typically introduced to thin-film photovoltaics for the purpose of light management. Highly effective light-trapping and optimal in-coupling of light is crucial to enhance the overall device performance in such thin-film systems. Here, wavelength-scale structures are transferred via direct laser interference patterning to electron-selective TiO{sub 2} electrodes. Two representative thin-film solar cell architectures are deposited on top: an organic solar cell featuring blended P3HT:PCBM as active material, and a hybrid solar cell with Sb{sub 2}S{sub 3} as inorganic active material. A direct correlation in the asymmetry in total absorption enhancement and in structure-induced light in-coupling is spectroscopically observed for the two systems. The structuring is shown to be beneficial for the total absorption enhancement if a high n active material is deposited on TiO{sub 2}, but detrimental for a low n material. The refractive indices of the employed materials are determined via spectroscopic ellipsometry. The study outlines that the macroscopic Fresnel equations can be used to investigate the spectroscopically observed asymmetry in light in-coupling at the nanostructured TiO{sub 2} active material interfaces by visualizing the difference in reflectivity caused by the asymmetry in refractive indices.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Electrical properties of germanium-based insulator-semiconductor structures with an insulating layer of polynucleotides, and their monomer components on the surface

It is shown that adsorption of nucleic acid molecules and their monomeric components, i.e., nitrogenous bases, from aqueous solutions results in the formation of an insulating layer on the germanium surface. Comparatively small values of the insulator charge and the surface-state density point to promising applications of nucleotides for both the formation of germanium-based insulator-semiconductor structures with nanoscale insulating layers and low surface-state densities at the phase interface, and for germanium surface passivation. Changes in the electronic properties of the space-charge region of germanium during nucleotide adsorption on its surface can be used as a method for determining the nucleotide molecule concentration in aqueous solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Managing the Electricity-Gas Interface: Current Environment and Emerging Solutions

Natural gas generators are now the largest producers of electricity in the United States and the largest single end-use consumer of natural gas. Natural gas markets, which first developed to meet commercial and residential heating demands during winter months, are now entwined with electricity markets, which developed when natural gas provided a much lower fraction of total fuel supply for the electricity market. More coordination, both in daily operations and long-term planning, is required to ensure the continued supply of reliable electricity and natural gas. This report provides an overview of the evolution and current state of electricity and natural gas markets in the United States and summarizes the ways in which the two industries interact. The report describes areas warranting greater coordination between the natural gas and electricity industries. This report also discusses the current state of natural gas and electricity models and the need for integrated models that include dynamic simulations of pipeline operations, especially when large amounts of variable generation exists in the electrical system. It outlines current modeling work being done to better simulate operations and planning of both systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Laser Induced Chemical Liquid Phase Deposition (LCLD)

Laser induced chemical deposition (LCLD) of metals onto different substrates attracts growing attention during the last decade. Deposition of metals onto the surface of dielectrics and semiconductors with help of laser beam allows the creation of conducting metal of very complex architecture even in 3D. In the processes examined the deposition occurs from solutions containing metal ions and reducing agents. The deposition happens in the region of surface irradiated by laser beam (micro reactors). Physics -chemical reactions driven by laser beam will be discussed for different metal-substrate systems. The electrical, optical, mechanical properties of created interfaces will be demonstrated also including some practical-industrial applications.

36 MATERIALS SCIENCE↗
NASA NTRS2009

NASA's Earth Observing Data and Information System

NASA's Earth Observing System Data and Information System (EOSDIS) has been a central component of NASA Earth observation program for over 10 years. It is one of the largest civilian science information system in the US, performing ingest, archive and distribution of over 3 terabytes of data per day much of which is from NASA s flagship missions Terra, Aqua and Aura. The system supports a variety of science disciplines including polar processes, land cover change, radiation budget, and most especially global climate change. The EOSDIS data centers, collocated with centers of science discipline expertise, archive and distribute standard data products produced by science investigator-led processing systems. Key to the success of EOSDIS is the concept of core versus community requirements. EOSDIS supports a core set of services to meet specific NASA needs and relies on community-developed services to meet specific user needs. EOSDIS offers a metadata registry, ECHO (Earth Observing System Clearinghouse), through which the scientific community can easily discover and exchange NASA s Earth science data and services. Users can search, manage, and access the contents of ECHO s registries (data and services) through user-developed and community-tailored interfaces or clients. The ECHO framework has become the primary access point for cross-Data Center search-and-order of EOSDIS and other Earth Science data holdings archived at the EOSDIS data centers. ECHO s Warehouse Inventory Search Tool (WIST) is the primary web-based client for discovering and ordering cross-discipline data from the EOSDIS data centers. The architecture of the EOSDIS provides a platform for the publication, discovery, understanding and access to NASA s Earth Observation resources and allows for easy integration of new datasets. The EOSDIS also has developed several methods for incorporating socioeconomic data into its data collection. Over the years, we have developed several methods for determining needs of the user community including use of the American Customer Satisfaction Index and a broad metrics program.

Mitchell, Andrew E.↗
DOE OSTI2020

Over What Length Scale Does an Inorganic Substrate Perturb the Structure of a Glassy Organic Semiconductor?

While the bulk structure of vapor-deposited glasses has been extensively studied, structure at buried interfaces has received little attention, despite being important for organic electronic applications. To learn about glass structure at buried interfaces, we study the structure of vapor-deposited glasses of the organic semiconductor DSA-Ph (1,4-di-[4-(N,N-diphenyl)amino]styrylbenzene) as a function of film thickness; the structure is probed with grazing incidence X-ray scattering. Here, we deposit on silicon and gold substrates and span a film thickness range of 10–600 nm. Our experiments demonstrate that interfacial molecular packing in vapor-deposited glasses of DSA-Ph is more disordered compared to the bulk. At a deposition temperature near room temperature, we estimate ~8 nm near the substrate can have modified molecular packing. Molecular dynamics simulations of a coarse-grained representation of DSA-Ph reveal a similar length scale. In both the simulations and the experiments, deposition temperature controls glass structure beyond this interfacial layer of a few nanometers.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Research on the interfacial structure and property improvement of the Cfiber/2Si-B-3C-N ceramic matrix composite

Highlights: • The C{sub fiber}/2Si-B-3C-N composite with nice properties was successfully prepared. • ZrO{sub 2} promotes the densification process, homogeneous nucleation and grain growth. • The interface reaction in the composite was well controlled by the addition of ZrO{sub 2}. • The damage to carbon fiber was largely avoided by the addition of ZrO{sub 2}. - Abstract: A mixture of the mechanically alloyed 2Si-B-3C-N powder and short carbon fiber was hot pressed at 1800 °C for 30 mins in nitrogen. Careful investigation to the prepared C{sub fiber}/2Si-B-3C-N ceramic matrix composite revealed that the composite was very difficult to be densified. Heterogeneous nucleation, abnormal grain growth and severe interface reaction occurred on the fiber surface or between the fiber and the ceramic matrix, leading to a small density and weak mechanical properties of the composite. For the prepared composite without any additive, the relative density, flexural strength, elastic modulus and fracture toughness is 71.7%, 64.6 MPa, 14.7 GPa and 1.47 MPa·m{sup 1/2}, respectively. The average size of the SiC grains close to and far away from the carbon fiber is 249.10 nm and 50.45 nm, respectively. However, with the addition of ZrO{sub 2} (7.5 mol%), the above mentioned phenomenons are changed noticeably, and those properties are significantly increased to 88.5%, 112.4 MPa, 111.1 GPa and 2.94 MPa·m{sup 1/2}, respectively. At the same time, the SiC grains close to or far away from the carbon fiber almost have the same average size of about 448.21 nm, and almost no interface reaction occurs. It shows that the addition of ZrO{sub 2} not only facilitates the sintering and densification process, but also depresses the interface reaction, promotes the homogeneous nucleation and grain growth, and hence significantly improves the mechanical properties of the C{sub fiber}/2Si-B-3C-N composite. This interesting finding is favorable for the preparation of carbon fiber reinforced ceramic matrix composite, which requires both a large relative density and well controlled interface reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

In Situ Imaging of an Anisotropic Layer-by-Layer Phase Transition in Few-Layer MoTe 2

Understanding the phase transition mechanisms in two-dimensional (2D) materials is a key to precisely tailor their properties at the nanoscale. Molybdenum ditelluride (MoTe 2 ) exhibits multiple phases at room temperature, making it a promising candidate for phase-change applications. Here, we fabricate lateral 2H–T d interfaces with laser irradiation and probe their phase transitions from micro- to atomic scales with in situ heating in the transmission electron microscope (TEM). By encapsulating the MoTe 2 with graphene protection layers, we create an in situ reaction cell compatible with atomic resolution imaging. We find that the T d -to-2H phase transition initiates at phase boundaries at low temperatures (200–225 °C) and propagates anisotropically along the b-axis in a layer-by-layer fashion. We also demonstrate a fully reversible 2H-T d -2H phase transition cycle, which generates a coherent 2H lattice containing inversion domain boundaries. Furthermore, our results provide insights on fabricating 2D heterophase devices with atomically sharp and coherent interfaces.

2D materials↗
DOE OSTI2013

Morphological stability of Cu-Nb nanocomposites under high-energy collision cascades

We use molecular dynamics and phase field simulations to demonstrate that Cu-Nb multilayered nanocomposites with individual layer thicknesses above 2–4 nm remain morphologically stable when subjected to 100 keV collision cascades, characteristic of neutron or heavy ion irradiation. The probability of morphological instability rapidly increases as the layer thickness decreases to 1 nm, which we attribute to overlap of zones of liquid-like interdiffusion inside radiation-induced thermal spikes at neighboring interfaces in the multilayer.

36 MATERIALS SCIENCE↗
DOE OSTI2013

X-ray photoelectron spectroscopic study on interface bonding between Pt and Zn- and O-terminated ZnO

Interface bonding between Pt and Zn- and O-terminated ZnO surfaces was investigated by precise analysis of x-ray photoelectron spectra. The interfaces were formed by vapor depositing Pt onto the ZnO surfaces in ultrahigh vacuum. The changes in the Zn 2p{sub 3/2}, O 1s, Zn LMM Auger, and Pt 4f{sub 7/2} spectra upon Pt deposition were observed. The changes in the shape of the Zn LMM spectra and the shifts in the binding energy of Zn 2p{sub 3/2} and O 1s revealed that there was a metallic Zn component in the Zn LMM and Zn 2p{sub 3/2} spectra for Zn-terminated ZnO and a Pt-O component in the O 1s spectra for both Zn- and O-terminated ZnO. Peaks were fitted with multiple components accordingly. The binding energy shifts of Zn 2p{sub 3/2} and O 1s for the ZnO component were almost the same, which confirmed that the fitting was reasonable. From the fitting results, the interface bonding was concluded to be O-terminated, i.e., Zn-O-Pt bond formation occurred at the interface for both Zn- and O-terminated ZnO. This clearly demonstrated that the stable interface bonding occurring between Pt and ZnO is Zn-O-Pt bonding whether the ZnO substrate is initially Zn-terminated or O-terminated.

36 MATERIALS SCIENCE↗
DOE OSTI2016

TH-AB-BRA-10: The Physics of Interface Effects for Radiation Treatments in a MRI-Linac: A Monte Carlo Study

Purpose: To investigate and explain the interface effects for clinically relevant materials being irradiated in the presence of a 1.5 T transverse magnetic field. Methods: Interface effects were investigated using Geant4.10.1 both with (B-On) and without (B-Off) a magnetic field for an Elekta MRI-Linac. A slab of thickness 8 cm, representing inhomogeneity, was placed at a depth of 4 cm in a 20×20×20 cm water phantom. Backscattered electron fluence was calculated through a 20×20 cm plane aligned with the surface of the inhomogeneity. Inhomogeneities investigated were lung, bone, aluminum, titanium, stainless steel, and dental filling. A photon beam with field size of 2×2 cm at the isocenter and SAD of 143.5 cm was generated from a point source with energy distribution sampled from a histogram representing the true Elekta MRI-Linac photon spectrum. Results: In the B-On case, if the heterogeneity is a low Z{sub eff} material, such as lung, the backscattered electron fluence is increased considerably, i.e. by 54 %, and the corresponding dose is expected to be higher near the interface compared to the B-Off case. On the contrary, if the heterogeneity is a high Z{sub eff} material then the backscattered electron fluence is reduced in the B-On electron fluence is reduced in the B-On case. This reduction leads to a lower dose deposition at the interface compared to the B-Off case. Conclusion: The reduction in dose at the interface, in the B-On case, is directly related to the reduction in backscattered electron fluence. The reduction in backscattered electron fluence occurs due to two different reasons. First, the electron energy spectrum hitting the interface is changed for the B-On case which changes the electron scattering probability. Second, some electrons that are looping under the influence of the magnetic field are captured by the higher density side of the interface and no longer contribute to the backscattered electron stream. Funding support for this study was provided by ElektaTM.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Conformal growth of Mo/Si multilayers on grating substrates using collimated ion beam sputtering

Deposition of multilayers on saw-tooth substrates is a key step in the fabrication of multilayer blazed gratings (MBG) for extreme ultraviolet and soft x-rays. Growth of the multilayers can be perturbed by shadowing effects caused by the highly corrugated surface of the substrates, which results in distortion of the multilayer stack structure and degradation of performance of MBGs. In this study, to minimize the shadowing effects, we used an ion-beamsputtering machine with a highly collimated atomic flux to deposit Mo/Si multilayers on saw-tooth substrates. The sputtering conditions were optimized by finding a balance between smoothening and roughening processes in order to minimize degradation of the groove profile in the course of deposition and at the same time to keep the interfaces of a multilayer stack smooth enough for high efficiency. An optimal value of energy of 200 eV for sputtering Kr + ions was found by deposition of test multilayers on flat substrates at a range of ion energies. Two saw-tooth substrates were deposited at energies of 200 eV and 700 eV for the sputtering ions. It was found that reduction of the ion energy improved the blazing performance of the MBG and resulted in a 40% gain in the diffraction efficiency due to better replication of the groove profile by the multilayer. As a result of the optimization performed, an absolute diffraction efficiency of 28.8% was achieved for the 2nd blaze order of the MBG with a groove density of 7350 lines/mm at a wavelength of 13.5 nm. Lastly, details of the growth behavior of the multilayers on flat and saw-tooth substrates are discussed in terms of the linear continuous model of film growth.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Resolving protein-mineral interfacial interactions during in vitro mineralization by atom probe tomography

Organic macromolecules exert remarkable control over the nucleation and growth of inorganic crystallites during (bio)mineralization, as exemplified during enamel formation where the protein amelogenin regulates the formation of hydroxyapatite (HAP). However, it is poorly understood how fundamental processes at the organic-inorganic interface, such as protein adsorption and/or incorporation into minerals, regulates nucleation and crystal growth due to technical challenges in observing and characterizing mineral-bound organics at high-resolution. Here, atom probe tomography techniques were developed and applied to characterize amelogenin-mineralized HAP particles in vitro, revealing distinct organic-inorganic interfacial structures and processes at the nanoscale. Specifically, visualization of amelogenin across the mineralized particulate demonstrates protein can become entrapped during HAP crystal aggregation and fusion. Identification of protein signatures and structural interpretations were further supported by standards analyses, i.e., defined HAP surfaces with and without amelogenin adsorbed. These findings represent a significant advance in the characterization of interfacial structures and, more so, interpretation of fundamental organic-inorganic processes and mechanisms influencing crystal growth. Ultimately, this approach can be broadly applied to inform how potentially unique and diverse organic-inorganic interactions at different stages regulates the growth and evolution of various biominerals.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Liquid-Air Interface Corrosion Testing Simulating The Environment Of Hanford Double Shell Tanks

Coupon tests on A537 carbon steel materials were conducted to evaluate the Liquid-Air Interface (LAI) corrosion susceptibility in a series of solutions designed to simulate conditions in the radioactive waste tanks located at the Hanford Nuclear Facility. The new stress corrosion cracking requirements and the impact of ammonia on LAI corrosion were the primary focus. The minimum R value (i.e., molar ratio of nitrite to nitrate) of 0.15 specified by the new stress corrosion cracking requirements was found to be insufficient to prevent pitting corrosion at the LAI. The pH of the test solutions was 10, which was actually less than the required pH 11 defined by the new requirements. These tests examined the effect of the variation of the pH due to hydroxide depletion at the liquid air interface. The pits from the current testing ranged from 0.001 to 0.008 inch in solutions with nitrate concentrations of 0.4 M and 2.0 M. The pitting and general attack that occurred progressed over the four-months. No significant pitting was observed, however, for a solution with a nitrate concentration of 4.5 M. The pitting depths observed in these partial immersion tests in unevaporated condensates ranged from 0.001 to 0.005 inch after 4 months. The deeper pits were in simulants with low R values. Simulants with R values of approximately 0.6 to 0.8 appeared to significantly reduce the degree of attack. Although, the ammonia did not completely eliminate attack at the LAI, the amount of corrosion in an extremely corrosive solution was significantly reduced. Only light general attack (< 1 mil) occurred on the coupon in the vicinity of the LAI. The concentration of ammonia (i.e., 50 ppm or 500 ppm) did not have a strong effect.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Hierarchical Hybrid Multifunctional Materials through Interface Engineering

This project focuses on the development of stimuli-responsive hybrid multifunctional materials. We place emphasis on the design, synthesis, structural characterization, evaluation of functional properties (electronic, thermal and optical) of several (1-x)Cu 2 Se/(x)WBGS hierarchical bulk composites between Cu 2 Se, a narrow band gap semiconductor (NBGS), with a range of wider band gap semiconductors (WBGS) such as CuMSe 2 (M = Al, Ga, In, Fe, Cr) and Cu 4 TiSe 4 . Cu2Se is a well-studied NBGS with excellent thermoelectric properties (high electrical conductivity, large thermopower, etc.) while CuMSe 2 and Cu 4 TiSe 4 are high performance solar absorber materials (large band gap, large absorption coefficient, etc.). Our primary objectives are (i) to demonstrate the ability to integrate dissimilar functional properties such as large optical absorption coefficient and high electronic conductivity, within (1-x)Cu 2 Se/(x)WBGS composite; and (ii) to establish the correlation between the hierarchical structural entanglement of Cu 2 Se with WBGS (CuMSe 2 or Cu 4 TiSe 4 ) phase, the interactions between native electronic defects within the coexisting phases in the resulting (1-x)Cu 2 Se/(x)WBGS bulk composites , and the impacts on their electronic conductivity, thermal transport and optical properties.

36 MATERIALS SCIENCE↗