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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 73 records · Page 4

Radiation damage in heteroepitaxial BaTiO{sub 3} thin films on SrTiO{sub 3} under Ne ion irradiation

The microstructure evolution of heteroepitaxial BaTiO{sub 3} (BTO) thin films grown on single crystal (001) SrTiO{sub 3} (STO) under Ne irradiation at room temperature was systematically investigated with special attention given to the behavior at the BTO/STO interface. Cross sectional transmission electron microscope investigations reveal that amorphization occurs at the top BTO film region. BTO grains in the dimensions of 10-20 nm survived the irradiation damage and maintained their original crystal orientation. Other irradiation-induced defects such as dislocation loops and defect clusters were observed only at the portion of the BTO thin film near the interface, but not at the STO side of the bilayer. Atomic calculations find that the energetics of defects are very similar on each side of the BTO/STO interface, suggesting that the interface will not significantly modify radiation damage evolution in this system, in agreement with the experimental observations. These results support the hypothesis we presented in previous work about the role of coherent interfaces on radiation damage evolution.

36 MATERIALS SCIENCE↗

Defect chemistry and chalcogen diffusion in thin-film Cu{sub 2}ZnSnSe{sub 4} materials

Selenium diffusion in polycrystalline thin-film Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSe) on molybdenum-coated soda-lime glass substrates was investigated by in situ monitoring of the molybdenum back-contact resistance during high-temperature selenization treatments. In these measurements, selenium diffusion through the CZTSe layer results in conversion of the molybdenum layer to MoSe{sub 2}, increasing the sheet resistance of the film stack. By monitoring the rate of MoSe{sub 2} formation as a function of annealing temperature, an activation energy of 0.5 ± 0.1 eV has been measured for selenium diffusion in CZTSe. The partial pressure dependence of chalcogen diffusion suggests that chalcogen vacancies are not the defect controlling chalcogen diffusion in thin-film CZTSe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Barrier film, method of making the barrier film, and articles including the barrier film

A barrier film that includes a substrate, a first polymer layer on a major surface of the substrate, an oxide layer on the first polymer layer, and a second polymer layer on the oxide layer. At least one of the first or second polymer layers includes a siloxane reaction product of a secondary or tertiary amino-functional silane having at least two silane groups. A method of making the barrier film and articles and a barrier assembly including the barrier film are also disclosed.

36 MATERIALS SCIENCE↗

Single-domain epitaxial silicene on diboride thin films

Epitaxial silicene, which forms spontaneously on ZrB 2 (0001) thin films grown on Si(111) wafers, has a periodic stripe domain structure. By adsorbing additional Si atoms on this surface, we find that the domain boundaries vanish, and a single-domain silicene sheet can be prepared without altering its buckled honeycomb structure. The amount of Si required to induce this change suggests that the domain boundaries are made of a local distortion of the silicene honeycomb lattice. LastlThe realization of a single domain sheet with structural and electronic properties close to those of the original striped state demonstrates the high structural flexibility of silicene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multifold Seebeck increase in RuO{sub 2} films by quantum-guided lanthanide dilute alloying

Ab initio predictions indicating that alloying RuO{sub 2} with La, Eu, or Lu can increase the Seebeck coefficient α manifold due to quantum confinement effects are validated in sputter-deposited La-alloyed RuO{sub 2} films showing fourfold α increase. Combinatorial screening reveals that α enhancement correlates with La-induced lattice distortion, which also decreases the thermal conductivity twentyfold, conducive for high thermoelectric figures of merit. These insights should facilitate the rational design of high efficiency oxide-based thermoelectrics through quantum-guided alloying.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thickness determination of few-layer hexagonal boron nitride films by scanning electron microscopy and Auger electron spectroscopy

We assess scanning electron microscopy (SEM) and Auger electron spectroscopy (AES) for thickness measurements on few-layer hexagonal boron nitride (h-BN), the layered dielectric of choice for integration with graphene and other two-dimensional materials. Observations on h-BN islands with large, atomically flat terraces show that the secondary electron intensity in SEM reflects monolayer height changes in films up to least 10 atomic layers thickness. From a quantitative analysis of AES data, the energy-dependent electron escape depth in h-BN films is deduced. The results show that AES is suitable for absolute thickness measurements of few-layer h-BN of 1 to 6 layers.

36 MATERIALS SCIENCE↗

Communication: slow relaxation, spatial mobility gradients, and vitrification in confined films

Two decades of experimental research indicate that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding remains elusive given the generic complexity of activated relaxation in supercooled liquids and the major complications of geometric confinement, interfacial effects, and spatial inhomogeneity. For this research, we construct a predictive, quantitative, force-level theory of relaxation in free-standing films for the central question of the nature of the spatial mobility gradient. The key new idea is that vapor interfaces speed up barrier hopping in two distinct, but coupled, ways by reducing near surface local caging constraints and spatially long range collective elastic distortion. Effective vitrification temperatures, dynamic length scales, and mobile layer thicknesses naturally follow. In conclusion, our results provide a unified basis for central observations of dynamic and pseudo-thermodynamic measurements.

36 MATERIALS SCIENCE↗

Indium and impurity incorporation in InGaN films on polar, nonpolar, and semipolar GaN orientations grown by ammonia molecular beam epitaxy

The effects of NH{sub 3} flow, group III flux, and substrate growth temperature on indium incorporation and surface morphology have been investigated for bulk InGaN films grown by ammonia molecular beam epitaxy. The incorporation of unintentional impurity elements (H, C, O) in InGaN films was studied as a function of growth temperature for growth on polar (0001) GaN on sapphire templates, nonpolar (1010) bulk GaN, and semipolar (1122), (2021) bulk GaN substrates. Enhanced indium incorporation was observed on both (1010) and (2021) surfaces relative to c-plane, while reduced indium incorporation was observed on (1122) for co-loaded conditions. Indium incorporation was observed to increase with decreasing growth temperature for all planes, while being relatively unaffected by the group III flux rates for a 1:1 Ga:In ratio. Indium incorporation was found to increase at the expense of a decreased growth rate for higher ammonia flows; however, smooth surface morphology was consistently observed for growth on semipolar orientations. Increased concentrations of oxygen and hydrogen were observed on semipolar and nonpolar orientations with a clear trend of increased hydrogen incorporation with indium content.

36 MATERIALS SCIENCE↗

Analysis of compositional uniformity in Al{sub x}Ga{sub 1−x}N thin films using atom probe tomography and electron microscopy

Calculated frequency distributions of atom probe tomography reconstructions (∼80 nm field of view) of very thin Al{sub x}Ga{sub 1−x}N (0.18 ≤ x ≤ 0.51) films grown via metalorganic vapor phase epitaxy on both (0001) GaN/AlN/SiC and (0001) GaN/sapphire heterostructures revealed homogeneous concentrations of Al and chemically abrupt Al{sub x}Ga{sub 1−x}N/GaN interfaces. The results of scanning transmission electron microscopy and selected area diffraction corroborated these results and revealed that neither superlattice ordering nor phase separation was present at nanometer length scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermal Conductivity in Nanocrystalline Ceria Thin Films

The thermal conductivity of nanocrystalline ceria films grown by unbalanced magnetron sputtering is determined as a function of temperature using laser-based modulated thermoreflectance. The films exhibit significantly reduced conductivity compared with stoichiometric bulk CeO2. A variety of microstructure imaging techniques including X-ray diffraction, scanning and transmission electron microscopy, X-ray photoelectron analysis, and electron energy loss spectroscopy indicate that the thermal conductivity is influenced by grain boundaries, dislocations, and oxygen vacancies. The temperature dependence of the thermal conductivity is analyzed using an analytical solution of the Boltzmann transport equation. The conclusion of this study is that oxygen vacancies pose a smaller impediment to thermal transport when they segregate along grain boundaries.

99 GENERAL AND MISCELLANEOUS↗

Improving the energy response of external beam therapy (EBT) GafChromic{sup TM} dosimetry films at low energies (≤100 keV)

Purpose: Purpose of this work is to investigate the effects of varying the active layer composition of external beam therapy (EBT) GafChromic{sup TM} films on the energy dependence of the film, as well as try to develop a new prototype with more uniform energy response at low photon energies (⩽100 keV). Methods: First, the overall energy response (S{sub AD,} {sub W}(Q)) of different commercial EBT type film models that represent the three different generations produced to date, i.e., EBT, EBT2, and EBT3, was investigated. Pieces of each film model were irradiated to a fixed dose of 2 Gy to water for a wide range of beam qualities and the corresponding S{sub AD,} {sub W}(Q) was measured using a flatbed document scanner. Furthermore, the DOSRZnrc Monte Carlo code was used to determine the absorbed dose to water energy dependence of the film, f(Q). Moreover, the intrinsic energy dependence, k{sub bq}(Q), for each film model was evaluated using the corresponding S{sub AD,} {sub W}(Q) and f(Q). In the second part of this study, the authors investigated the effects of changing the chemical composition of the active layer on S{sub AD,} {sub W}(Q). Finally, based on these results, the film manufacturer fabricated several film prototypes and the authors evaluated their S{sub AD,} {sub W}(Q). Results: The commercial EBT film model shows an under response at all energies below 100 keV reaching 39% ± 4% at about 20 keV. The commercial EBT2 and EBT3 film models show an under response of about 27% ± 4% at 20 keV and an over response of about 16% ± 4% at 40 keV.S{sub AD,} {sub W}(Q) of the three commercial film models at low energies show strong correlation with the corresponding f{sup −1}(Q) curves. The commercial EBT3 model with 4% Cl in the active layer shows under response of 22% ± 4% at 20 keV and 6% ± 4% at about 40 keV. However, increasing the mass percent of chlorine makes the film more hygroscopic which may affect the stability of the film's readout. The EBT3 film prototype with 7.5% Si shows a significant improvement in the energy response at very low energies compared to the commercial EBT3 films with 4% Cl. It shows under response of 15% ± 5% at about 20 keV to 2% ± 5% at about 40 keV. However, according to the manufacturer, the addition of 7.5% Si as SiO{sub 2} adversely affected the viscosity of the active fluid and therefore affected the potential use in commercial machine coating. The latest commercial EBT3 film model with 7% Al as Al{sub 2}O{sub 3} shows an overall improvement in S{sub AD,} {sub W}(Q) compared to previous commercial EBT3 films. It shows under response at all energies <100 keV, varying from 20% ± 4% at 20 keV to 6% ± 4% at 40 keV. Conclusions: The energy response of films in the energy range <100 keV can be improved by adjusting the active layer chemical composition. Removing bromine eliminated the over response at about 40 keV. The under response at energies ≤30 keV is improved by adding 7% Al to the active layer in the latest commercial EBT3 film models.

61 RADIATION PROTECTION AND DOSIMETRY↗