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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Abnormal grain growth induced by grain boundary segregation of yttrium in grain-oriented Fe-3%Si steel

Highlights: • The abnormal grain growth in Fe-3%Si was induced without precipitates by alloying of yttrium. • Grains grew abnormally to sizes exceeding 10 mm after secondary recrystallization. • Observations by the Laue diffraction method confirmed that the abnormally grown grains had the Goss orientation. The possibility of abnormal grain growth in grain-oriented Fe-3%Si steel by grain boundary segregation was investigated. Yttrium was selected to inhibit normal grain growth because its segregation at grain boundaries would efficiently reduce the grain boundary energy of iron, decreasing the driving force for grain growth. After secondary recrystallization, abnormal grain growth was successfully achieved without any precipitates. Observations by the Laue diffraction method confirmed that the abnormally grown grains had the Goss orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Determination of the mutual orientation between proton CSA tensors mediated through band-selective 1 H– 1 H recoupling under fast MAS

We report the mutual orientation of nuclear spin interaction tensors provides critical information on the conformation and arrangement of molecules in chemicals, materials, and biological systems at an atomic level. Proton is a ubiquitous and important element in a variety of substances, and its NMR is highly sensitive due to their virtually 100% natural abundance and large gyromagnetic ratio. Nevertheless, the measurement of mutual orientation between the 1 H CSA tensors has remained largely untouched in the past due to strong 1 H– 1 H homonuclear interactions in a dense network of protons. In this study, we have developed a proton-detected 3D 1 H CSA/ 1 H CSA/ 1 H CS correlation method that utilizes three techniques to manage homonuclear interactions, namely fast magic-angle spinning, windowless C-symmetry-based CSA recoupling (windowless-ROCSA), and a band-selective 1 H– 1 H polarization transfer. The asymmetric 1 H CSA/ 1 H CSA correlated powder patterns produced by the C-symmetry-based methods are highly sensitive to the sign and asymmetry parameter of the 1 H CSA, and the Euler angle β as compared to the symmetric pattern obtained by the existing γ-encoded R-symmetry-based CSA/CSA correlation methods and allows a larger spectral area for data fitting. These features are beneficial for determining the mutual orientation between the nuclear spin interaction tensors with improved accuracy.

1H CSA↗
DOE OSTI2014

Simultaneous orientation and thickness mapping in transmission electron microscopy

In this paper we introduce an approach for simultaneous thickness and orientation mapping of crystalline samples by means of transmission electron microscopy. We show that local thickness and orientation values can be extracted from experimental dark-field (DF) image data acquired at different specimen tilts. The method has been implemented to automatically acquire the necessary data and then map thickness and crystal orientation for a given region of interest. We have applied this technique to a specimen prepared from a commercial semiconductor device, containing multiple 22 nm technology transistor structures. The performance and limitations of our method are discussed and compared to those of other techniques available.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Orientational Order in Spin-Cast Lead-Iodide Perovskite Nanocrystal Solids

Combined synthetic control over size and composition renders colloidal lead-halide perovskite nanocrystals a tunable platform for high-efficiency optoelectronic applications. However, the properties and operational stability of devices based on nanocrystal solids are often dictated by the method of the evaporation-induced assembly. Ubiquitous slow evaporation techniques can produce highly ordered nanocrystal domains but limit the prospects for scalable fabrication of continuous device layers, calling for investigation of approaches to more rapidly form ordered perovskite nanocrystal solids. Here, we study orientationally ordered lead-iodide perovskite nanocrystal solids prepared by conventional spin coating with molecular additives (excess ligand) to enhance ordering within the arrays. In situ X-ray scattering measurements reveal that orientational ordering occurs rapidly upon solvent removal during spin coating and can be further enhanced by manipulating the spin speed. We vary the additive ligand length and explore trade-offs between ordering and layered perovskite impurity formation. Arrays treated with the intermediate-length octylamine ligand exhibit increased in-plane electronic conductivity, suggesting orientational ordering and internanocrystal electronic coupling can be enhanced by the treatment. In conclusion, these results highlight the prospects of establishing long-range order in lead-halide perovskite nanocrystal solids by using simple and fast coating methods.

14 SOLAR ENERGY↗
DOE OSTI2017

Symmetry Breaking in Side Chains Leading to Mixed Orientations and Improved Charge Transport in Isoindigo- alt -Bithiophene Based Polymer Thin Films

The selection of side chains is important in design of conjugated polymers. It not only affects their intrinsic physical properties, but also has an impact on thin film morphologies. Recent reports suggested that a face-on/edge-on bimodal orientation observed in polymer thin films may be responsible for a three-dimensional (3D) charge transport and leads to dramatically improved mobility in donor–acceptor based conjugated polymers. To achieve a bimodal orientation in thin films has been seldom explored from the aspect of molecular design. In this work, we demonstrate a design strategy involving the use of asymmetric side chains that enables an isoindigo-based polymer to adopt a distinct bimodal orientation, confirmed by the grazing incidence X-ray diffraction. As a result, the polymer presents an average high mobility of 3.8 ± 0.7 cm 2 V –1 s –1 with a maximum value of 5.1 cm 2 V –1 s –1 , in comparison with 0.47 and 0.51 cm 2 V –1 s –1 obtained from the two reference polymers. This study exemplifies a new strategy to develop the next generation polymers through understanding the property-structure relationship.

three-dimensional charge transport↗
DOE OSTI2013

Three-Dimensional Orientation Determination of Stationary Anisotropic Nanoparticles with Sub-Degree Precision under Total Internal Reflection Scattering Microscopy

Single-particle and single-molecule orientation determination plays a vital role in deciphering nanoscale motion in complex environments. Previous attempts to determine the absolute three-dimensional orientation of anisotropic particles rely on subjective pattern matching and are inherently plagued by high degrees of uncertainty. Herein, we describe a method utilizing total internal reflection scattering microscopy to determine the 3D orientation of gold nanorods with subdegree uncertainty. The method is then applied to the biologically relevant system of microtubule cargo loading. Finally, we demonstrate the method holds potential for identifying single particles versus proximate neighbors within the diffraction limited area.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Preferred orientation of nanoscale order at the surface of amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} films

We report evidence that as-deposited amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} thin films contain nanoscale clusters that exhibit a preferred orientation, attributed to the earliest stages of heterogeneous nucleation. Fluctuation transmission electron microscopy reveals structural order in the samples, but (220)-related contributions are suppressed. When homogeneous nucleation is promoted via electron bombardment, the sample remains diffraction amorphous but the (220) contribution appears. We simulated data for randomly oriented nanoscale order using ab initio molecular-dynamics models of Ge{sub 2}Sb{sub 2}Te{sub 5}. The simulated (220) contribution always has larger magnitude than higher-order signals; thus, the lack of the experimental signal indicates a significant preferred orientation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Residual stress dependant anisotropic band gap of various (hkl) oriented BaI{sub 2} films

The thermally evaporated layer structured BaI{sub 2} grows in various completely preferred (hkl) film orientations with different growth parameters like film thickness, deposition rate, substrate temperature, etc. which were characterized by structural, morphological, and optical absorption measurements. Structural analysis reveals the strain in the films and the optical absorption shows a direct type band gap. The varying band gaps of these films were found to scale linearly with their strain. The elastic moduli and other constants were also calculated using Density Functional Theory (DFT) formalism implemented in WIEN2K code for converting the strain into residual stress. Films of different six (hkl) orientations show stress free anisotropic band gaps (2.48–3.43 eV) and both positive and negative pressure coefficients. The negative and positive pressure coefficients of band gap are attributed to the strain in I-I (or Ba-Ba or both) and Ba-I distances along [hkl], respectively. The calculated band gaps are also compared with those experimentally determined. The average pressure coefficient of band gap of all six orientations (−0.071 eV/GPa) found to be significantly higher than that calculated (−0.047 eV/GPa) by volumetric pressure dependence. Various these issues have been discussed with consistent arguments. The electron effective mass m{sub e}{sup *}=0.66m{sub 0} and the hole effective mass m{sub h}{sup *}=0.53m{sub 0} have been determined from the calculated band structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Photonic nano-structures on (111)-oriented diamond

We demonstrate the fabrication of single-crystalline diamond nanopillars on a (111)-oriented chemical vapor deposited diamond substrate. This crystal orientation offers optimal coupling of nitrogen-vacancy (NV) center emission to the nanopillar mode and is thus advantageous over previous approaches. We characterize single native NV centers in these nanopillars and find one of the highest reported saturated fluorescence count rates in single crystalline diamond in excess of 10{sup 6} counts per second. We show that our nano-fabrication procedure conserves the preferential alignment as well as the spin coherence of the NVs in our structures. Our results will enable a new generation of highly sensitive probes for NV magnetometry and pave the way toward photonic crystals with optimal orientation of the NV center's emission dipole.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Strain-modulated antiferromagnetic spin orientation and exchange coupling in Fe/CoO(001)

The effect of CoO spin orientation on exchange coupling was investigated in single-crystalline Fe/CoO/MnO/MgO(001) systems. An antiferromagnetic CoO spin reorientation transition from the in-plane direction to the out-of-plane direction was found to be associated with the in-plane strain transition in CoO film from compression to expansion. The induced uniaxial anisotropies by exchange coupling at the Fe/CoO interface are significantly stronger for the in-plane CoO spin orientation than for the out-of-plane CoO spin orientation. Our study provides a way to modify the exchange coupling in the ferromagnetic (FM)/antiferromagnetic (AFM) bilayer by modulating the strain in the AFM film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Extracting the emitter orientation in organic light-emitting diodes from external quantum efficiency measurements

Emitter orientation will play a major role in future applications of organic light-emitting diodes due to its strong impact on the efficiency of the devices. Up to now, determining the orientation of transition dipole moments required elaborate angular-dependent measurements of the light emission pattern. In this paper, we present a simplified and straightforward method to extract the emitter orientation from external quantum efficiency measurements. We demonstrate the validity of the method on three different dye-doped emitting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Critical CuI buffer layer surface density for organic molecular crystal orientation change

We have determined the critical surface density of the CuI buffer layer inserted to change the preferred orientation of copper phthalocyanine (CuPc) crystals grown on the buffer layer. X-ray reflectivity measurements were performed to obtain the density profiles of the buffer layers and out-of-plane and 2D grazing-incidence X-ray diffraction measurements were performed to determine the preferred orientations of the molecular crystals. Remarkably, it was found that the preferred orientation of the CuPc film is completely changed from edge-on (1 0 0) to face-on (1 1 −2) by a CuI buffer layer with a very low surface density, so low that a large proportion of the substrate surface is bare.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Horizontal molecular orientation in solution-processed organic light-emitting diodes

Horizontal orientation of the emission transition dipole moments achieved in glassy vapor-deposited organic thin films leads to an enhancement of the light out-coupling efficiency in organic light-emitting diodes (OLEDs). Here, our combined study of variable angle spectroscopic ellipsometry and angle dependent photoluminescence demonstrates that such a horizontal orientation can be achieved in glassy spin-coated organic films based on a composite blend of a heptafluorene derivative as a dopant and a 4,4′-bis(N-carbazolyl)-1,1′-biphenyl as a host. Solution-processed fluorescent OLEDs with horizontally oriented heptafluorene emitters were then fabricated and emitted deep blue electroluminescence with an external quantum efficiency as high as 5.3%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Point-group sensitive orientation mapping of non-centrosymmetric crystals

We demonstrate polarity-sensitive orientation mapping of non-centrosymmetric phases by Electron Backscatter Diffraction (EBSD). The method overcomes the restrictions of kinematic orientation determination by EBSD, which is limited to the centro-symmetric Laue-groups according to Friedel's rule. Using polycrystalline GaP as an example, we apply a quantitative pattern matching approach based on simulations using the dynamical theory of electron diffraction. This procedure results in a distinct assignment of the local orientation according to the non-centrosymmetric point group of the crystal structure under investigation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Spin orientation, structure, morphology, and magnetic properties of hematite nanoparticles

Monodisperse hematite (α-Fe{sub 2}O{sub 3}) nanoparticles were synthesized by forced hydrolysis of acidic Fe{sup 3+} solution. Rietveld analysis was applied to the X-ray powder diffraction data to refine the lattice constants and atomic positions. The lattice constants for a hexagonal unit cell were determined to be a ∼ 0.50327 and c ∼ 1.37521 nm. High resolution transmission electron microscopy was employed to study the morphology of the particles. Atomic scale micrographs and diffraction patterns from several zone axes were obtained. These reveal the high degree of crystallinity of the particles. A series of observations made on the particles by tilting them through a range of ±45° revealed the particles to be micaceous with stacking of platelets with well defined crystallographic orientations. The Morin transition in these nanoparticles was found to occur at 210 K, which is lower temperature than 263 K of bulk hematite. It was ascertained from the previous Mössbauer studies that the spin orientation for nano-sized hematite particle flips from 90° to 28° with respect to the c-axis of the hexagonal structure during the Morin transition, which is in contrast to that observed in bulk hematite where spin orientation flips from 90° to 0°.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Communication: Salt-induced water orientation at a surface of non-ionic surfactant in relation to a mechanism of Hofmeister effect

The behavior of water molecules at the surface of nonionic surfactant (monomyristolein) and effects of monovalent ions on the behavior are investigated using the heterodyne-detected vibrational sum frequency generation spectroscopy. It is found that water molecules at the surface are oriented with their hydrogen atoms pointing to the bulk, and that the degree of orientation depends on the anion strongly but weakly on the cation. With measured surface potentials in those saline solutions, it is concluded that the heterogeneous distribution of anions and cations in combination with the nonionic surfactant causes the water orientation. This heterogeneous distribution well explains the contrasting order of anions and cations with respect to the ion size in the Hofmeister series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Spin orientation driven static and dynamic magnetic process in amorphous FeCoBSi thin films

The spin orientation dependence of magnetic hysteresis and microwave ferromagnetic resonance data are investigated in FeCoBSi amorphous thin films. Demagnetization effect allows the weak interface-rooted out-of-plane anisotropy to build up local spin orientation domains under the dominant in-plane anisotropy. As a result, two phase magnetization reversal and double-peak ferromagnetic resonance traces with varying damping behavior are observed. Due to the distribution of in-plane and out-of-plane spin orientations, the ferromagnetic resonance bandwidth has been extensively expanded with the full width at half maximum increased from 1.2 GHz to 3.5 GHz.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Magnetization-free measurements of spin orientations in orthoferrites using terahertz time domain spectroscopy

The spin orientation during spin reorientation phase transition in a weak ferromagnetic orthoferrite Dy{sub x}Er{sub 1−x}FeO{sub 3} (x = 0.7) has been studied by using terahertz time domain spectroscopy under zero and weak external magnetic fields. The spin orientation angle was deduced from the ratio of the absorption intensity of quasi-ferromagnetic and quasi-antiferromagnetic modes, which appear around 0.25 and 0.4 THz, respectively. Between 11.4 and 17.9 K, this material showed a rotation-type reorientation transition rather than Morin-type transition. The temperature and magnetic field dependence of the orientation angle of the magnetic moment was found to follow a simple model assuming a linear temperature dependence of the anisotropy parameter. It has been also shown that this method is insensitive to the domain structure with opposite polarity and that it allows measurement without macroscopic magnetization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗