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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Molecular beam epitaxy and crystal structure of majority a -plane-oriented and substrate-strained Mn 3 Sn thin films grown directly on sapphire (0001)

The Kagome antiferromagnet Mn 3 Sn has garnered much attention due to the presence of exciting properties such as anomalous Hall and Nernst effects. This paper discusses the synthesis of crystalline Mn 3 Sn thin films, prepared on Al 2 O 3 (0001) substrates at 453 ± 5°C using molecular beam epitaxy. The growth is monitored in situ using reflection high energy electron diffraction and measured ex situ using x-ray diffraction, Rutherford back-scattering, and cross-sectional scanning transmission electron microscopy. Our analysis shows the in-plane lattice constants of a 1,M = 4.117 ± 0.027 Å and a 2,M = 4.943 ± 0.033 Å, which is a very unexpected result when compared to the bulk a-plane Mn 3 Sn. This indicates a strain in the film and makes it challenging to provide a straightforward explanation. In an effort to explain our results, we discuss two possible orientation relationships between the Mn 3 Sn films and the sapphire substrates. Samples prepared under these conditions appear to have smooth surfaces locally, but overall the film has a 3D island morphology. First-principles calculations provide atomic models of the Mn 3 Sn (112¯0) lattice on Al 2 O 3 (0001) high symmetry sites, indicating that the L3-R90° is the most stable configuration. A detailed discussion of the experimental data and theoretical results, as well as strain effects, is provided.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Morphology of ejected particles and impact sites on intercepting substrates following exit-surface laser damage with nanosecond pulses in silica

A volume of superheated material reaching localized temperatures of the order of 1 eV and pressures of the order of 10 GPa is generated following laser-induced damage (breakdown) on the surface of transparent dielectric materials using nanosecond pulses. This leads to material ejection and the formation of a crater. To elucidate the material behaviors involved, we examined the morphologies of the ejected particles and found distinctive features that support their classification into different types. The different morphologies arise from the difference in the structure and physical properties (such as the dynamic viscosity and presence of instabilities) of the superheated and surrounding affected material at the time of ejection of each individual particle. In addition, the temperature and kinetic energy of a subset of the ejected particles were found to be sufficient to initiate irreversible modification on the intercepting silica substrates. Finally, the modifications observed are associated with mechanical damage and fusion of melted particles on the collector substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Modeling thin layers of analytes on substrates for spectral analysis: use of solid/liquid n and k values to model reflectance spectra

Since solids are only sometimes seen en masse in a pure bulk form, and for liquids other than water almost never, a capability to model reflectance spectra from analytes deposited on various substrates would be highly advantageous. If available, the real, n ( ν ) , and imaginary, k ( ν ) , components of the complex refractive index, n n + i k , can be used to simulate infrared spectra, accounting for reflection, refraction, and absorption phenomena as a function of wavelength. We focus on using the Pacific Northwest National Laboratory (PNNL) derived n / k vectors for solid and liquid analytes deposited as thin layers on different types of substrates including conductors, such as aluminum, and inorganic dielectrics, such as glass. The model is an adaptation of the Monte Carlo ray trace modeling program, TracePro, extended through the use of its macrolanguage. The model is tested using thin films of organic liquids including silicone oil and no. 2 diesel fuel, as well as organic solids such as caffeine and acetaminophen on aluminum and glass. The predicted spectra for the solid films were compared to experimental hemispherical reflectance data measured using a Fourier transform spectrometer with an integrating sphere. The thickness of the calculated layer is a parameter for predicting the (transflectance) spectra and is obtained using the areal density measured from gravimetric methods to generate the thin-layer samples. Comparison of the calculated spectra with experimental hemispherical reflectance data shows excellent agreement, indicating promise for the use of measured n / k data to synthesize reference spectral data. In particular, accounting for the inhomogeneity of the deposits greatly improved the match with experimental data. Finally, the theoretical modeling shows that for thicker layers (ca. 20 to 100 μm) of typical organics possessing moderately strong k values, the longwave infrared features are often saturated and better spectral contrast is obtained from the overtone/combination bands in the shortwave infrared.

42 ENGINEERING↗
DOE OSTI2017

Epitaxy on polycrystalline substrates

Motivated by combinatorial and high-throughput approaches to the discovery of antibodies and drugs in pharmaceutical research, efforts such as the Materials Genome Initiative (1) have been envisioned to develop similar algorithms for the discovery, design, and realization of next-generation materials, such as superconducting (2), magnetoresistive (3), dielectric (4), and luminescent (5) materials. However, such experimental approaches have not become pervasive across all classes of materials. For example, in the study of thin-film, functional complex oxides, systematic, small-scale exploration has remained the standard. However, studies like that of Wittkamper et al. (6), which explore many different substrates by using a polycrystalline substrate, stand poised to open the door for high-throughput studies of complex materials.

Pandya, Shishir↗
DOE OSTI2021

Stabilizing perovskite-substrate interfaces for high-performance perovskite modules

The interfaces of perovskite solar cells (PSCs) are important in determining their efficiency and stability, but the morphology and stability of imbedded perovskite-substrate interfaces have received less attention than have top interfaces. We found that dimethyl sulfoxide (DMSO), which is a liquid additive broadly applied to enhance perovskite film morphology, was trapped during film formation and led to voids at perovskite-substrate interfaces that accelerated the film degradation under illumination. Partial replacement of DMSO with solid-state carbohydrazide reduces interfacial voids. A maximum stabilized power conversion efficiency (PCE) of 23.6% was realized for blade-coated p-type/intrinsic/n-type (p-i-n) structure PSCs with no efficiency loss after 550-hour operational stability tests at 60°C. The perovskite mini-modules showed certified PCEs of 19.3 and 19.2%, with aperture areas of 18.1 and 50.0 square centimeters, respectively.

Chen, Shangshang↗
DOE OSTI2018

Evolution of a Vegetarian Vibrio: Metabolic Specialization of Vibrio breoganii to Macroalgal Substrates

While most Vibrionaceae are considered generalists that thrive on diverse substrates, including animal-derived material, we show that Vibrio breoganii has specialized for the consumption of marine macroalga-derived substrates. Genomic and physiological comparisons of V. breoganii with other Vibrionaceae isolates revealed the ability to degrade alginate, laminarin, and additional glycans present in algal cell walls. Moreover, the widely conserved ability to hydrolyze animal-derived polymers, including chitin and glycogen, was lost, along with the ability to efficiently grow on a variety of amino acids. Ecological data showing associations with particulate algal material but not zooplankton further support this shift in niche preference, and the loss of motility appears to reflect a sessile macroalga-associated lifestyle. Altogether, these findings indicate that algal polysaccharides have become a major source of carbon and energy in V. breoganii , and these ecophysiological adaptations may facilitate transient commensal associations with marine invertebrates that feed on algae.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Disturbance–diversity relationships of microbial communities change based on growth substrate

Disturbance events can impact ecological community dynamics. Understanding how communities respond to disturbances and how those responses can vary is a challenge in microbial ecology. In this study, we grew a previously enriched specialized microbial community on either cellulose or glucose as a sole carbon source and subjected them to one of five different disturbance regimes of varying frequencies ranging from low to high. Using 16S rRNA gene amplicon sequencing, we show that the community structure is largely driven by substrate, but disturbance frequency affects community composition and successional dynamics. When grown on cellulose, bacteria in the genera Cellvibrio, Lacunisphaera, and Asticcacaulis are the most abundant microbes. However, Lacunisphaera is only abundant in the lower disturbance frequency treatments, while Asticcacaulis is more abundant in the highest disturbance frequency treatment. When grown on glucose, the most abundant microbes are two Pseudomonas sequence variants and a Cohnella sequence variant that is only abundant in the highest disturbance frequency treatment. Communities grown on cellulose exhibited a greater range of diversity (1.95–7.33 Hill 1 diversity) that peaks at the intermediate disturbance frequency treatment or one disturbance every 3 days. Communities grown on glucose, however, ranged from 1.63 to 5.19 Hill 1 diversity with peak diversity at the greatest disturbance frequency treatment. These results demonstrate that the dynamics of a microbial community can vary depending on substrate and the disturbance frequency and may potentially explain the variety of diversity–disturbance relationships observed in microbial systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Structural and electrical properties of metamorphic nanoheterostructures with a high InAs content (37-100%) grown on GaAs and InP substrates

A complex study of the structural and electrical properties of nanoheterostructures containing a metamorphic barrier with a high InAs content (37-100%) in the active region have been performed by the Van der Pauw and X-ray diffraction methods. All peaks observed in the rocking curves for the samples studied (throughout the entire structure) have been revealed and identified. It is shown that, having properly chosen the design of the metamorphic buffer and the compositional gradient in it, one can obtain mobilities and concentrations of the 2D electron gas in the In{sub x}Ga{sub 1-x}As quantum well in the heterostructures formed on GaAs substrates that are comparable with the corresponding values for the nanoheterostructures grown on InP substrates. It is established that the mobility and concentration of 2D electron gas depend both on the metamorphic barrier design and on the structural quality of heterostructure as a whole.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Influence of arsenic flow on the crystal structure of epitaxial GaAs grown at low temperatures on GaAs (100) and (111)A substrates

The influence of arsenic flow in a growth chamber on the crystal structure of GaAs grown by molecular-beam epitaxy at a temperature of 240°C on GaAs (100) and (111)A substrates has been investigated. The flow ratio γ of arsenic As4 and gallium was varied in the range from 16 to 50. GaAs films were either undoped, or homogeneously doped with silicon, or contained three equidistantly spaced silicon δ-layers. The structural quality of the annealed samples has been investigated by transmission electron microscopy. It is established for the first time that silicon δ-layers in “low-temperature” GaAs serve as formation centers of arsenic precipitates. Their average size, concentration, and spatial distribution are estimated. The dependence of the film structural quality on γ is analyzed. Regions 100–150 nm in size have been revealed in some samples and identified (by X-ray microanalysis) as pores. It is found that, in the entire range of γ under consideration, GaAs films on (111)A substrates have a poorer structural quality and become polycrystalline beginning with a thickness of 150–200 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Investigation of DC and RF Performance of Novel MOSHEMT on Silicon Substrate for Future Submillimetre Wave Applications

In this work, the DC and RF performance of a 20 nm gate length novel metal oxide semiconductor high electron mobility transistor (MOSHEMT) on Silicon substrate is studied using Sentaurus TCAD tool. The proposed MOSHEMT device features a novel T-gate structure, heavily doped In{sub 0.52}Ga{sub 0.48}As source/drain regions, delta doped planes on both sides of the In{sub 0.75}Ga{sub 0.25}As/InAs/In{sub 0.75}Ga{sub 0.25}As composite channel, a multi layer cap and a very thin layer of HfO{sub 2} as gate dielectric. The TCAD simulation results obtained at room temperature using hydrodynamic carrier transport model indicates that the 20 nm gate length proposed MOSHEMT device is capable of providing a peak drain current of 2450 mA/mm at V{sub DS} = 0.6 V and the peak transconductance obtained for the proposed device is 2900 mS/mm. The f{sub T} and f{sub max} obtained for the L{sub g} = 20 nm proposed MOSHEMT on Silicon substrate are 372 and 480 GHz respectively. At 300 K, the measured Hall mobility of the electrons in the quantum well channel is 9600 cm{sup 2}/(V s). The on state resistance (R{sub ON}) obtained for the L{sub g} = 20 nm proposed device is 116 Ohm μm. These devices are undoubtedly, the most suitable candidates for future sub millimetre wave applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Growth of InAs{sub x}Sb{sub 1 –x} Solid Solutions on Misoriented GaAs(001) Substrates by Molecular-Beam Epitaxy

The effect of a substrate misorientation degree from a singular face on the composition and morphology of layers of InAs{sub x}Sb{sub 1 –x} solid solutions obtained by molecular-beam epitaxy on a GaAs surface has been investigated. The substrates of GaAs wafers with the orientation (100) misoriented in the direction [110] by 0°, 1°, 2°, and 5° are used. The heterostructures are grown at temperatures of 310°C and 380°C (respectively, the lower and upper boundaries of the temperature range in which structurally perfect InAs{sub x}Sb{sub 1 –x} films form). The effect of the molecular form of arsenic (As{sub 2} or As{sub 4}) on the composition of the layers is studied. The composition and structural properties are investigated using high-resolution X-ray diffractometry (HRXRD) and atomic-force microscopy (AFM). It is established that, in the series of misorientation angles 0° → 5°, the arsenic fraction x increases consecutively when using fluxes of both As{sub 2} and As{sub 4} molecules. With the As{sub 2} molecular flux, the fraction x increases only a little (1.05 times) with increasing degree of misorientation, while, when using the As{sub 4} flux, the increase in x is 1.75 times. An increase in the growth temperature leads to growth in the arsenic fraction in the solid solution. The surface morphology improves with an increasing degree of misorientation at a low growth temperature and degrades at a high temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Studies of the Cross Section and Photoluminescence of a GaAs Layer Grown on a Si/Al{sub 2}O{sub 3} Substrate

A GaAs/AlAs/GaAs/AlAs/Ge heterostructure grown on a Si/Al{sub 2}O{sub 3}(1 1-bar 02) substrate is formed and studied. The Ge buffer layer is produced by the “hot wire” technique, whereas the III–V layers are grown by metal–organic vapor-phase epitaxy. The optical quality of the III–V layers is determined by photoluminescence spectroscopy. Structural studies are performed by high-resolution transmission electron microscopy. The elemental composition is determined by energy-dispersive X-ray spectroscopy. In the study, the possibility of growing a single-crystal GaAs layer on a Si/Al{sub 2}O{sub 3} substrate through AlAs/GaAs/AlAs/Ge buffer layers is shown.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Comparative Analysis of the Luminescence of Ge:Sb Layers Grown on Ge(001) and Si(001) Substrates

Comparative studies of the luminescence properties of Sb-doped Ge layers grown on Ge(001) and Si(001) substrates are carried out. It is shown that, in contrast to the case of Ge:Sb layers grown on Si, a considerable contribution to the photoluminescence signal from Ge:Sb/Ge(001) layers is made by indirect optical transitions. This fact is attributed to the longer charge-carrier lifetime in Ge:Sb/Ge homoepitaxial structures because of the lack of crystal-lattice defects related to the relaxation of elastic strains in such structures. It is shown that the experimentally observed significant increase in the contribution of direct optical transitions to the total photoluminescence signal with increasing doping level of Ge:Sb/Ge(001) layers results from an increase in the population of electron states in the Γ valley. At Sb concentrations much higher than the equilibrium solubility of Sb in Ge, partial electrical activation of the impurity is observed, and in this case, a profound effect on the emission properties of Ge:Sb layers grown on different substrates is produced by nonradiative-recombination centers, whose role can be played by clusters of impurity atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Investigation of Composition Uniformity in Thickness of GaInAsP Layers Grown on InP Substrates by Vapor-Phase Epitaxy

GaInPAs/InP heterostructures grown by metalorganic chemical vapor-phase deposition at a temperature of 600°C and pressure of 0.1 bar are investigated. The thicknesses of the grown GaInAsP layers amount to about 1 μm. For Ga{sub 1 –x}In{sub x}P{sub 1 –y}As{sub y} solid solutions with average compositions of x = 0.77–0.87 and y = 0.07–0.42, the variation in the content y of V-group atoms over the epitaxial-layer thickness by a value of Δy up to 0.1 atomic fractions in the sublattice of the V-group elements is revealed by secondary ion mass spectrometry. In most cases, a change in y occurs in the GaInAsP layer over a length to 200 nm from the InP heterointerface. In certain cases, y varies throughout the entire GaInPAs-layer thickness. For the epitaxial layers with satisfactory crystalline perfection, the value of Δy is less in the case of better lattice-matching between the GaInPAs epitaxial layer and the substrate. For GaInPAs layers strongly lattice-mismatched with the substrate and characterized by a low degree of crystalline perfection, the value of Δy is close to zero. All these facts enable us to assume that it is elastic deformations arising in the forming monolayer lattice-mismatched with the growing surface that affect the incorporation of V-group atoms into the forming crystalline lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Skyrmion dynamics and transverse mobility: skyrmion Hall angle reversal on 2D periodic substrates with dc and biharmonic ac drives

Here we numerically examine the dynamics of a skyrmion interacting with a two-dimensional periodic substrate under dc and biharmonic ac drives. We show that the Magnus force of the skyrmion produces circular orbits that can resonate with the ac drive and the periodicity of the substrate to create quantized motion both parallel and perpendicular to the dc drive. The skyrmion Hall angle exhibits a series of increasing and/or decreasing steps along with strongly fluctuating regimes. In the phase locked regimes, the skyrmion Hall angle is constant and the skyrmion motion consists of periodic orbits encircling an integer number of obstacles per every or every other ac drive cycle. We also observe phases in which the skyrmion moves at 90° with respect to the driving direction even in the presence of damping, a phenomenon called absolute transverse mobility that can exhibit reentrance as a function of dc drive. When the biharmonic ac drives have different amplitudes in the two directions, we find regimes in which the skyrmion Hall angle shows a sign reversal from positive to negative, as well as a reentrant pinning effect in which the skyrmion is mobile at low drives but becomes pinned at higher drives. These behaviors arise due to the combination of the Magnus force with the periodic motion of the skyrmions, which produce Shapiro steps, directional locking, and ratchet effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Ordered and disordered skyrmion states on a square substrate

We examine the ordering of skyrmions interacting with a square substrate created from a modulation of anisotropy using atomistic simulations. We consider fillings of ƒ = 1.5, 2.0, 2.5, 3.0, and 3.5 skyrmions per potential minimum as a function of magnetic field and sample size. For a filling of ƒ = 2.0, we find various dimer orderings, such as tilted dimer states, as well as antiferromagnetic ordering that is similar to the colloidal dimer ordering seen on square substrates. Furthermore, the ability of the skyrmions to change shape or annihilate produces additional states that do not occur in the colloidal systems. For certain parameters at ƒ = 2.0, half of the skyrmions can annihilate to form a square lattice, or a superlattice of trimers and monomers containing skyrmions of different sizes can form. At lower fields, ordered stretched skyrmion states can appear, and for zero field, there can be ordered stripe states. For ƒ = 3.0, we find ferromagnetic ordered trimers, tilted lattices, columnar lattices, and stretched phases. For fillings of ƒ = 1.5 and 2.5, we find bipartite lattices, different ordered and disordered states, and several extended disordered regions produced by frustration effects.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Performance characteristics of bio-inspired metal nanostructures as surface-enhanced Raman scattered (SERS) substrates

The fabrication of high-performance plasmonic nanomaterials for bio-sensing and trace chemical detection is a field of intense theoretical and experimental research. The use of metal-silicon nanopillar arrays as analytical sensors has been reported with reasonable results in recent years. The use of bio-inspired nanocomposite structures that follow the Fibonacci numerical architecture offers the opportunity to develop nanostructures with theoretically higher and more reproducible plasmonic fields over extended areas. The work presented here describes the nanofabrication process for a series of 40 µm × 40 µm bio-inspired arrays classified as asymmetric fractals (sunflower seeds and romanesco broccoli), bilaterally symmetric (acacia leaves and honeycombs), and radially symmetric (such as orchids and lily flowers) using electron beam lithography. In addition, analytical capabilities were evaluated using surface-enhanced Raman scattering (SERS). Here, the substrate characterization and SERS performance of the developed substrates as the strategies to assess the design performance are presented and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultra-sensitive isotope probing to quantify activity and substrate assimilation in microbiomes

Abstract Background Stable isotope probing (SIP) approaches are a critical tool in microbiome research to determine associations between species and substrates, as well as the activity of species. The application of these approaches ranges from studying microbial communities important for global biogeochemical cycling to host-microbiota interactions in the intestinal tract. Current SIP approaches, such as DNA-SIP or nanoSIMS allow to analyze incorporation of stable isotopes with high coverage of taxa in a community and at the single cell level, respectively, however they are limited in terms of sensitivity, resolution or throughput. Results Here, we present an ultra-sensitive, high-throughput protein-based stable isotope probing approach (Protein-SIP), which cuts cost for labeled substrates by 50–99% as compared to other SIP and Protein-SIP approaches and thus enables isotope labeling experiments on much larger scales and with higher replication. The approach allows for the determination of isotope incorporation into microbiome members with species level resolution using standard metaproteomics liquid chromatography-tandem mass spectrometry (LC–MS/MS) measurements. At the core of the approach are new algorithms to analyze the data, which have been implemented in an open-source software ( https://sourceforge.net/projects/calis-p/ ). We demonstrate sensitivity, precision and accuracy using bacterial cultures and mock communities with different labeling schemes. Furthermore, we benchmark our approach against two existing Protein-SIP approaches and show that in the low labeling range used our approach is the most sensitive and accurate. Finally, we measure translational activity using 18 O heavy water labeling in a 63-species community derived from human fecal samples grown on media simulating two different diets. Activity could be quantified on average for 27 species per sample, with 9 species showing significantly higher activity on a high protein diet, as compared to a high fiber diet. Surprisingly, among the species with increased activity on high protein were several Bacteroides species known as fiber consumers. Apparently, protein supply is a critical consideration when assessing growth of intestinal microbes on fiber, including fiber-based prebiotics. Conclusions We demonstrate that our Protein-SIP approach allows for the ultra-sensitive (0.01 to 10% label) detection of stable isotopes of elements found in proteins, using standard metaproteomics data.

59 BASIC BIOLOGICAL SCIENCES↗