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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

Non-equilibrium state defines physical properties of materials in many technologies, including architectural, metallic, and semiconducting amorphous glasses. In contrast, crystalline electronic and energy materials, such as transparent conductive oxides (TCO), are conventionally thought to be in equilibrium. Here, we demonstrate that high electrical conductivity of crystalline Ga-doped ZnO TCO thin films occurs by virtue of metastable state of their defects. These results imply that such defect metastability may be important in other functional oxides. This finding emphasizes the need to understand and control non-equilibrium states of materials, in particular, their metastable defects, for the design of novel functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dependency of EBT2 film calibration curve on postirradiation time

Purpose: The Ashland Inc. product EBT2 film model is a widely used quality assurance tool, especially for verification of 2-dimensional dose distributions. In general, the calibration film and the dose measurement film are irradiated, scanned, and calibrated at the same postirradiation time (PIT), 1-2 days after the films are irradiated. However, for a busy clinic or in some special situations, the PIT for the dose measurement film may be different from that of the calibration film. In this case, the measured dose will be incorrect. This paper proposed a film calibration method that includes the effect of PIT. Methods: The dose versus film optical density was fitted to a power function with three parameters. One of these parameters was PIT dependent, while the other two were found to be almost constant with a standard deviation of the mean less than 4%. The PIT-dependent parameter was fitted to another power function of PIT. The EBT2 film model was calibrated using the PDD method with 14 different PITs ranging from 1 h to 2 months. Ten of the fourteen PITs were used for finding the fitting parameters, and the other four were used for testing the model. Results: The verification test shows that the differences between the delivered doses and the film doses calculated with this modeling were mainly within 2% for delivered doses above 60 cGy, and the total uncertainties were generally under 5%. The errors and total uncertainties of film dose calculation were independent of the PIT using the proposed calibration procedure. However, the fitting uncertainty increased with decreasing dose or PIT, but stayed below 1.3% for this study. Conclusions: The EBT2 film dose can be modeled as a function of PIT. For the ease of routine calibration, five PITs were suggested to be used. It is recommended that two PITs be located in the fast developing period (1∼6 h), one in 1 ∼ 2 days, one around a week, and one around a month.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2019

Physical and Chemical Morphology of Passively Sampled Environmental Films

Environmental surface films are important mediators in the fate and transport of persistent organic pollutants (POP) via largely uncharacterized mechanisms. This work presents the first analysis of the physical and chemical morphology of passively sampled environmental films. The films are developed in urban, sub-urban, and metropolitan locations for timescales ranging from 1 to 52 weeks by exposing polished silicon wafers to collect passively deposited tropospheric particulate matter. The time-dependent spatial morphology of the films is analyzed by bright-field, scanning electron, and atomic force microscopies. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging data are analyzed to report the film’s chemical morphology and speciation. We find that the film matrix presents an extremely complex physical and chemical system. Deposited PM sizes span six orders of magnitude (millimeter to nanometer regimes), and surface coverages range from ca. 5 % for one week films and ca. 98 % for 52 week films. We observe significant amounts of mineral dust, biogenic organics, and occasional indications of flora growth (i.e., spores). The films exhibit nanoscale surface features indicative of small particulate depositions as well as films of (semi)volatile molecules. SIMS imaging reveals diverse and sometimes segregated chemical domains of hydrocarbons, inorganics, metals, and proteinaceous macromolecules. This work presents the first spatially resolved physical and chemical surface characterization of native environmental films, beginning a study of mechanisms by which these films form, persist, and mature in the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

On multichannel film dosimetry with channel-independent perturbations

Purpose: Different multichannel methods for film dosimetry have been proposed in the literature. Two of them are the weighted mean method and the method put forth byMicke et al. [“Multichannel film dosimetry with nonuniformity correction,” Med. Phys. 38, 2523–2534 (2011)] and Mayer et al. [“Enhanced dosimetry procedures and assessment for EBT2 radiochromic film,” Med. Phys. 39, 2147–2155 (2012)]. The purpose of this work was to compare their results and to develop a generalized channel-independent perturbations framework in which both methods enter as special cases. Methods: Four models of channel-independent perturbations were compared: weighted mean, Micke–Mayer method, uniform distribution, and truncated normal distribution. A closed-form formula to calculate film doses and the associated type B uncertainty for all four models was deduced. To evaluate the models, film dose distributions were compared with planned and measured dose distributions. At the same time, several elements of the dosimetry process were compared: film type EBT2 versus EBT3, different waiting-time windows, reflection mode versus transmission mode scanning, and planned versus measured dose distribution for film calibration and for γ-index analysis. The methods and the models described in this study are publicly accessible through IRISEU. Alpha 1.1 ( http://www.iriseu.com ). IRISEU. is a cloud computing web application for calibration and dosimetry of radiochromic films. Results: The truncated normal distribution model provided the best agreement between film and reference doses, both for calibration and γ-index verification, and proved itself superior to both the weighted mean model, which neglects correlations between the channels, and the Micke–Mayer model, whose accuracy depends on the properties of the sensitometric curves. With respect to the selection of dosimetry protocol, no significant differences were found between transmission and reflection mode scanning, between 75 ± 5 min and 20 ± 1 h waiting-time windows or between employing EBT2 or EBT3 films. Significantly better results were obtained when a measured dose distribution was used instead of a planned one as reference for the calibration, and when a planned dose distribution was used instead of a measured one as evaluation for the γ-analysis. Conclusions: The truncated normal distribution model of channel-independent perturbations was found superior to the other three models under comparison and the authors propose its use for multichannel dosimetry.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Growth and characterization of Pt-protected Gd{sub 5}Si{sub 4} thin films

Successful growth and characterization of thin films of giant magnetocaloric Gd{sub 5}(Si{sub x}Ge{sub 1−x}){sub 4} were reported in the literature with limited success. The inherent difficulty in producing this complex material makes it difficult to characterize all the phases present in the thin films of this material. Therefore, thin film of binary compound of Gd{sub 5}Si{sub 4} was deposited by pulsed laser deposition. It was then covered with platinum on the top of the film to protect against any oxidation when the film was exposed to ambient conditions. The average film thickness was measured to be approximately 350 nm using a scanning electron microscopy, and the composition of the film was analyzed using energy dispersive spectroscopy. X-ray diffraction analysis indicates the presence of Gd{sub 5}Si{sub 4} orthorhombic structure along with Gd{sub 5}Si{sub 3} secondary phase. The transition temperature of the film was determined from magnetic moment vs. temperature measurement. The transition temperature was between 320 and 345 K which is close to the transition temperature of the bulk material. Magnetic moment vs. magnetic field measurement confirmed that the film was ferromagnetic below 342 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Structure, electrical characteristics, and high-temperature stability of aerosol jet printed silver nanoparticle films

Printed electronics has emerged as a versatile eco-friendly fabrication technique to create sintered nanoparticle (NP) films on arbitrary surfaces with an excellent control over the film microstructure. While applicability of such films for high-temperature applications is not explored previously, herein we report the high-temperature electrical stability of silver (Ag) metal NP films fabricated using an Aerosol Jet based printing technique and demonstrate that this behavior is dictated by changes in the film microstructure. In-situ high temperature (24–500 °C) impedance spectroscopy measurements show that the real part of the impedance increases with increasing temperature up to 150 °C, at which point a decreasing trend prevails until 300 °C, followed again by an increase in impedance. The electrical behavior is correlated with the in-situ grain growth of the Ag NP films, as observed afterwards by scanning electron microscopy and X-ray diffraction (XRD), and could be tailored by controlling the initial microstructure through sintering conditions. Using combined diffraction and spectroscopic analytical methods, it is demonstrated the Aerosol Jet printed Ag NP films exhibit enhanced thermal stability and oxidation resistance. In addition to establishing the conditions for stability of Ag NP films, the results provide a fundamental understanding of the effect of grain growth and reduction in grain boundary area on the electrical stability of sintered NP films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Study of surface cleaning methods and pyrolysis temperatures on nanostructured carbon films using x-ray photoelectron spectroscopy

Nanostructured carbon (ns-C) films fabricated by stabilization and pyrolysis of diblock copolymers are of interest for a variety of electrical/electronic applications due to their chemical inertness, high-temperature insensitivity, very high surface area, and tunable electrical resistivity over a wide range [Kulkarni et al., Synth. Met. 159, 177 (2009)]. Because of their high porosity and associated high specific surface area, controlled surface cleaning studies are important for fabricating electronic devices from these films. In this study, quantification of surface composition and surface cleaning studies on ns-C films synthesized by carbonization of diblock copolymers of polyacrylonitrile-b-poly(n-butyl acrylate) at two different temperatures were carried out. X-ray photoelectron spectroscopy was used for elemental analysis and to determine the efficacy of various surface cleaning methods for ns-C films and to examine the polymer residues in the films. The in-situ surface cleaning methods included HF vapor treatment, vacuum annealing, and exposure to UV-ozone. Quantitative analysis of high-resolution XPS scans showed 11 at. % nitrogen was present in the films pyrolyzed at 600 Degree-Sign C, suggesting incomplete denitrogenation of the copolymer films. The nitrogen atomic concentration decreased significantly for films pyrolyzed at 900 Degree-Sign C confirming extensive denitrogenation at that temperature. Furthermore, quantitative analysis of nitrogen subpeaks indicated higher loss of nitrogen atoms residing at the edge of graphitic clusters relative to that of nitrogen atoms within the graphitic clusters, suggesting higher graphitization with increasing pyrolysis temperature. Of the surface cleaning methods investigated, in-situ annealing of the films at 300 Degree-Sign C for 40 min was found to be the most efficacious in removing adventitious carbon and oxygen impurities from the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2016

YSZ thin films with minimized grain boundary resistivity

In recent years, interface engineering of solid electrolytes has been explored to increase their ionic conductivity and improve the performance of solid oxide fuel cells and other electrochemical power sources. It has been observed that the ionic conductivity of epitaxially grown thin films of some electrolytes is dramatically enhanced, which is often attributed to effects (e.g. strain-induced mobility changes) at the heterophase boundary with the substrate. Still largely unexplored is the possibility of manipulation of grain boundary resistivity in polycrystalline solid electrolyte films, clearly a limiting factor in their ionic conductivity. Here in this paper, we report that the ionic conductivity of yttria stabilized zirconia thin films with nano-columnar grains grown on a MgO substrate nearly reaches that of the corresponding single crystal when the thickness of the films becomes less than roughly 8 nm (smaller by a factor of three at 500 °C). Using impedance spectroscopy, the grain boundary resistivity was probed as a function of film thickness. The resistivity of the grain boundaries near the film–substrate interface and film surface (within 4 nm of each) was almost entirely eliminated. This minimization of grain boundary resistivity is attributed to Mg 2+ diffusion from the MgO substrate into the YSZ grain boundaries, which is supported by time of flight secondary ion mass spectroscopy measurements. We suggest grain boundary “design” as an attractive method to obtain highly conductive solid electrolyte thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microphase separation in thin films of lamellar forming polydisperse di-block copolymers

Despite the ubiquity of polydispersity in chain lengths of di-block copolymers, its effects on microphase separation in thin films have eluded a clear understanding. In this paper, we have studied effects of polydispersity on the microphase separation in thin films of lamellar forming di-block copolymers using self-consistent field theory (SCFT) and neutron reflectivity experiments. Di-block copolymers containing a polydisperse block of poly(glycidylmethacrylate) (PGMA) connected to a near-monodisperse block poly(2-vinyl-4,4-dimethyl-d 6 azlactone) (PVDMA-d 6 ) are considered in this work. Effects of chain length polydispersity, film thickness, substrate–monomer and monomer–monomer interactions on the microphase segregation are studied using SCFT. The theoretical study reveals that in comparison to a film created with monodisperse di-block copolymers, an increase in polydispersity tends to decrease the number of lamellar strata that can be packed in a film of given thickness. This is a direct consequence of an increase in lamellar domain spacing with an increase in polydispersity index. Furthermore, it is shown that polydispersity induces conformational asymmetry and an increase in the polydispersity index leads to an increase in the effective Kuhn segment length of the polydisperse blocks. It is shown that the conformational asymmetry effects, which are entropic in origin and of increasing importance as film thickness decreases, drive the polydisperse blocks to the middle of the films despite favorable substrate interactions. These predictions are verified by results from neutron reflectivity experiments on thin films made from moderately polydisperse PGMA-PVDMA-d 6 di-block copolymer deposited on silicon substrates. In conclusion, results from SCFT are used to predict neutron reflectivity profiles, providing a facile and robust route to obtain useful physical insights into the structure of polydisperse diblock copolymers at interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Origins of enhanced thermoelectric power factor in topologically insulating Bi{sub 0.64}Sb{sub 1.36}Te{sub 3} thin films

In this research, we report the enhanced thermoelectric power factor in topologically insulating thin films of Bi{sub 0.64}Sb{sub 1.36}Te{sub 3} with a thickness of 6–200 nm. Measurements of scanning tunneling spectroscopy and electronic transport show that the Fermi level lies close to the valence band edge, and that the topological surface state (TSS) is electron dominated. We find that the Seebeck coefficient of the 6 nm and 15 nm thick films is dominated by the valence band, while the TSS chiefly contributes to the electrical conductivity. In contrast, the electronic transport of the reference 200 nm thick film behaves similar to bulk thermoelectric materials with low carrier concentration, implying the effect of the TSS on the electronic transport is merely prominent in the thin region. The conductivity of the 6 nm and 15 nm thick film is obviously higher than that in the 200 nm thick film owing to the highly mobile TSS conduction channel. As a consequence of the enhanced electrical conductivity and the suppressed bipolar effect in transport properties for the 6 nm thick film, an impressive power factor of about 2.0 mW m{sup −1} K{sup −2} is achieved at room temperature for this film. Further investigations of the electronic transport properties of TSS and interactions between TSS and the bulk band might result in a further improved thermoelectric power factor in topologically insulating Bi{sub 0.64}Sb{sub 1.36}Te{sub 3} thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Crystallization growth rates and front propagation in amorphous solid water films

The growth rate of crystalline ice (CI) in amorphous solid water (ASW) films was investigated using reflection absorption infrared spectroscopy. Two different experiments were set up to measure rates of the crystallization front propagation from the underlying crystalline template upward and from the vacuum interface downward. In one set of experiments, layers of ASW (5% D 2 O in H 2 O) were grown on a CI template and capped with a decane layer. In isothermal experiments from 140 to 150 K, crystallization was observed from the onset (no induction time) and the extent of crystallization increased linearly with time. In a second set of experiments, uncapped ASW films without a CI template were studied. The films were created by placing a 100 ML isotopic layer (5% D 2 O in H 2 O) at various positions in a 1000 ML ASW (H 2 O) film. The CI growth rates obtained from the two configurations (capped films with a CI template and uncapped films without a CI template) are in quantitative agreement. The results support the idea that for ASW films in a vacuum, a crystalline layer forms at the surface that then acts as a CI template for a growth front that moves downward into the film.

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

Atomic layer deposition of Al2O3 on V2O5 xerogel film for enhanced lithium-ion intercalation stability

V2O5 xerogel films were fabricated by casting V2O5 sols onto fluorine-doped tin oxide glass substrates at room temperature. Five, ten and twenty atomic layers of Al2O3 were grown onto as-fabricated films respectively. The bare film and Al2O3-deposited films all exhibited hydrous V2O5 phase only. Electrochemical impedance spectroscopy study revealed increased surface charge-transfer resistance of V2O5 films as more Al2O3 atomic layers were deposited. Lithium-ion intercalation tests at 600 mAg_1 showed that bare V2O5 xerogel film possessed high initial discharge capacity of 219 mAhg_1 but suffered from severe capacity degradation, i.e., having only 136 mAhg_1 after 50 cycles. After deposition of ten atomic layers of Al2O3, the initial discharge capacity was 195 mAhg_1 but increased over cycles before stabilizing; after 50 cycles, the discharge capacity was as high as 225 mAhg_1. The noticeably improved cyclic stability of Al2O3-deposited V2O5 xerogel film could be attributed to the improved surface chemistry and enhanced mechanical strength. During repeated lithium-ion intercalation/de-intercalation, atomic layers of Al2O3 which were coated onto V2O5 surface could prevent V2O5 electrode dissolution into electrolyte by reducing direct contact between active electrode and electrolyte while at the same time acting as binder to maintain good mechanical contact between nanoparticles inside the film. VC 2012 American Vacuum Society.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Materials and Electrical Characterization of Physical Vapor Deposited LaxLu1-xO3 Thin Films on 300 mm Silicon

La{sub x}Lu{sub 1-x}O{sub 3} thin films were deposited on 300 mm silicon wafers by physical vapor deposition and fabricated into field-effect transistors using a gate-first process flow. The films were characterized using transmission electron microscopy, Rutherford backscattering spectrometry, and synchrotron x-ray diffraction. The results show the films remain amorphous even at temperatures of 1000 C. The dielectric properties of La{sub x}Lu{sub 1-x}O{sub 3} (0.125 {<=} x {<=} 0.875) thin films were evaluated as a function of film composition. The amorphous La{sub x}Lu{sub 1-x}O{sub 3} thin films have a dielectric constant (K) of 23 across the composition range. The inversion thickness (T{sub inv}) of the La{sub x}Lu{sub 1-x}O{sub 3} thin films was scaled to <1.0 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Design of low surface roughness-low residual stress-high optoelectronic merit a-IZO thin films for flexible OLEDs

The development of efficient and reliable large-area flexible optoelectronic devices demands low surface roughness-low residual stress-high optoelectronic merit transparent conducting oxide (TCO) thin films. Here, we correlate surface roughness-residual stress-optoelectronic properties of sputtered amorphous indium zinc oxide (a-IZO) thin films using a statistical design of experiment (DOE) approach and find a common growth space to achieve a smooth surface in a stress-free and high optoelectronic merit a-IZO thin film. The sputtering power, growth pressure, oxygen partial pressure, and RF/(RF+DC) are varied in a two-level system with a full factorial design, and results are used to deconvolve the complex growth space, identifying significant control growth parameters and their possible interactions. The surface roughness of a-IZO thin film varies over 0.19 nm to 3.97 nm, which is not in line with the general assumption of low surface roughness in a-IZO thin films. The initial regression model and analysis of variance reveal no single optimum growth sub-space to achieve low surface roughness (≤0.5 nm), low residual stress (−1 to 0 GPa), and industrially acceptable electrical conductivity (>1000 S/cm) for a-IZO thin films. The extrapolation of growth parameters in light of the current results and previous knowledge leads to a new sub-space, resulting in a low residual stress of −0.52±0.04 GPa, a low surface roughness of 0.55±0.03 nm, and moderate electrical conductivity of 1962±3.84 S/cm in a-IZO thin films. These results demonstrate the utility of the DOE approach to multi-parameter optimization, which provides an important tool for the development of flexible TCOs for the next-generation flexible organic light emitting diodes applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗