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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Data clustering for the high-resolution alignment of microstructure and strain fields

The emergence of small-scale deformation mapping by a combination of scanning electron microscopy and digital image correlation (SEM-DIC) has enabled full-field investigations into the complex roles of microstructure on microscale deformation mechanisms. However, these investigations are hindered by errors in alignment between the microstructure data, generally acquired by electron backscatter diffraction (EBSD), and the microscale strain data obtained by SEM-DIC. Distortions, stitching artifacts, and spatial resolution differences between microstructure and strain fields can lead to misalignments on the order of μms. This alignment uncertainty introduces error into microstructure-strain localization analyses and precludes the examination of deformation mechanisms near grain boundaries. To improve alignment between EBSD-obtained grain boundaries and SEM-DIC strain data, an approach was created wherein a mantle was first established around the EBSD-acquired grain boundaries. Strain data was then clustered within this mantle using a k-means algorithm to identify grain boundary strain localization, and these boundary points were fit to obtain a continuous curve for each individual boundary. Clustered point outliers, such as those due to grain boundary-local dislocation slip, were statistically identified by using an absolute error threshold and removed from the grain boundary fit. The ending identification of grain boundaries in the microscale strain data is significantly improved from EBSD-identified boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fabrication of Large-Area Arrays of Vertically Aligned Gold Nanorods

Anisotropic nanoparticles, such as nanorods and nanoprisms, enable packing of complex nanoparticle structures with different symmetry and assembly orientation, which result in unique functions. Despite previous extensive efforts, formation of large areas of oriented or aligned nanoparticle structures still remains a great challenge. In this paper, we report fabrication of large-area arrays of vertically aligned gold nanorods (GNR) through a controlled evaporation deposition process. We began with a homogeneous suspension of GNR and surfactants prepared in water. During drop casting on silicon substrates, evaporation of water progressively enriched the concentrations of the GNR suspension, which induces the balance between electrostatic interactions and entropically driven depletion attraction in the evaporating solution to produce large-area arrays of self-assembled GNR on the substrates. Electron microscopy characterizations revealed the formation of layers of vertically aligned GNR arrays that consisted of hexagonally close-packed GNR in each layer. Benefiting from the close-packed GNR arrays and their smooth topography, the GNR arrays exhibited a surface-enhanced Raman scattering (SERS) signal for molecular detection at a concentration as low as 10 –15 M. Because of the uniformity in large area, the GNR arrays exhibited exceptional detecting reproducibility and operability. Finally, this method is scalable and cost-effective and could lead to diverse packing structures and functions by variation of guest nanoparticles in the suspensions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

On-Demand Aligned DNA Hydrogel Via Light Scanning

DNA is an anisotropic, water-attracting, and biocompatible material, an ideal building block for hydrogel. The alignment of the anisotropic DNA chains is essential to maximize hydrogel properties, which has been little explored. Here, we present a method to fabricate the anisotropic DNA hydrogel that allows precise control for the polymerization process of photoreactive cationic monomers. Scanning ultraviolet light enables the uniaxial alignment of DNA chains through the polymerization-induced diffusive mass flow using a concentration gradient. In conclusion, while studying anisotropic mechanical properties and orientation recovery according to the DNA chain alignment direction, we demonstrate the potential of directionally controlled DNA hydrogels as smart materials.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Observation of Band Alignment Transition in InAs/GaAsSb Quantum Dots by Photoluminescence

The band alignment of InAs quantum dots (QDs) embedded in GaAsSb barriers with various Sb compositions is investigated by photoluminescence (PL) measurements. InAs/GaAsSb samples with 13% and 15% Sb compositions show distinct differences in emission spectra as the PL excitation power increases. Whilst no discernible shift is seen for the 13% sample, a blue-shift of PL spectra following a 1/3 exponent of the excitation power is observed for the 15% sample suggesting a transition from a type I to type II band alignment. Time-resolved PL data show a significant increase in carrier lifetime as the Sb composition increases between 13% and 15% implying that the transformation from a type I to type II band alignment occurs between 13% and 15% Sb compositions. These results taken together lead to the conclusion that a zero valence band offset (VBO) can be achieved for the InAs/GaAsSb system in the vicinity of 14% Sb composition.

14 SOLAR ENERGY↗
DOE OSTI2012

Elevation angle alignment of quasi optical receiver mirrors of collective Thomson scattering diagnostic by sawtooth measurements

Localized measurements of the fast ion velocity distribution function and the plasma composition measurements are of significant interest for the fusion community. Collective Thomson scattering (CTS) diagnostics allow such measurements with spatial and temporal resolution. Localized measurements require a good alignment of the optical path in the transmission line. Monitoring the alignment during the experiment greatly benefits the confidence in the CTS measurements. An in situ technique for the assessment of the elevation angle alignment of the receiver is developed. Using the CTS diagnostic on TEXTOR without a source of probing radiation in discharges with sawtooth oscillations, an elevation angle misalignment of 0.9 Degree-Sign was found with an accuracy of 0.25 Degree-Sign .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Manipulation of plasma grating by impulsive molecular alignment

We experimentally demonstrated that multiphoton-ionization-induced plasma grating in air could be precisely manipulated by impulsive molecular alignment. In the linear region, the impulsively aligned molecules modulated the diffraction efficiency of the plasma grating for a time-delayed femtosecond laser pulse. In the nonlinear region, the third harmonic generation from the plasma grating was either enhanced or suppressed by following the alignment of the molecules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Seleno groups control the energy-level alignment between conjugated organic molecules and metals

The charge injection from metallic electrodes into hole transporting layers of organic devices often suffers from deviations from vacuum-level alignment at the interface. Even for weakly interacting cases, Pauli repulsion causes an interface dipole between the metal and conjugated organic molecules (COMs) (so called “push-back” or “cushion” effect), which leads notoriously to an increase of the hole injection barrier. On the other hand, for chalcogenol self assembled monolayers (SAMs) on metal surfaces, chemisorption via the formation of chalcogen-metal bonds is commonly observed. In these cases, the energy-level alignment is governed by chalcogen-derived interface states in the vicinity of the metal Fermi-level. In this work, we present X-ray and ultraviolet photoelectron spectroscopy data that demonstrate that the interfacial energy-level alignment mechanism found for chalcogenol SAMs also applies to seleno-functionalized COMs. This can be exploited to mitigate the push-back effect at metal contacts, notably also when COMs with low ionization energies are employed, permitting exceedingly low hole injection barriers, as shown here for the interfaces of tetraseleno-tetracene with Au(111), Ag(111), and Cu(111)

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

Non-destructive quantification of alignment of nanorods embedded in uniaxially stretched polymer films

Among several methods developed for uniaxial alignment of metallic nanorods for optical applications, alignment by film stretching consists in embedding the rods in a transparent thin film of thermoplastic polymer, followed by simultaneous heating and uniaxial stretching of the composite film. As to the quantification of the resulting alignment, it has been limited to statistical calculations based on microscopic examination, which is incomplete, subject to errors due to geometric distortions of the scanning electron microscope images and destructive, since it involves cutting of samples. In contrast, we present in this paper a non-destructive quantification of the average orientation of the rods, based on a probabilistic approach combined with numerical simulations of absorbance spectra and spectrometric characterization of the composite film. Assuming electromagnetically non-interacting rods, we consider the longitudinal absorbance peak of their ensemble to consist of the superposition of their individual spectra that we obtain by numerical simulation using the size and shape adapted dielectric function of the metal and the finite difference time domain method. The accuracy of the solution depends on the number of discretization intervals, the accuracy of the numerical simulations, and the accurate knowledge of the polydispersity of the rods. For the sake of concreteness, we used nanorods to describe the quantification steps but the method is equally valid for any dichroic particles.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Photoluminescence analysis of self induced planer alignment in azo dye dispersed nematic liquid crystal complex

We have developed azo dye doped nematic liquid crystal complex for advanced photonic liquid crystal display technology aspects. Disperse orange azo dye self introduced planer alignment in the nematic liquid crystal without any surface anchoring treatment. Planer alignment was characterized by optical polarizing microscopy. The electro-optical switching response of dye disperse planer aligned nematic cell was investigated as a function of applied voltage with the help of photoluminescence spectrophotometer for the tuning of photoluminescence contrast.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Grain alignment in starless cores

We present near-IR polarimetry data of background stars shining through a selection of starless cores taken in the K band, probing visual extinctions up to A{sub V}∼48. We find that P{sub K}/τ{sub K} continues to decline with increasing A{sub V} with a power law slope of roughly −0.5. Examination of published submillimeter (submm) polarimetry of starless cores suggests that by A{sub V}≳20 the slope for P versus τ becomes ∼−1, indicating no grain alignment at greater optical depths. Combining these two data sets, we find good evidence that, in the absence of a central illuminating source, the dust grains in dense molecular cloud cores with no internal radiation source cease to become aligned with the local magnetic field at optical depths greater than A{sub V}∼20. A simple model relating the alignment efficiency to the optical depth into the cloud reproduces the observations well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Magnetically aligned H I fibers and the rolling hough transform

We present observations of a new group of structures in the diffuse Galactic interstellar medium (ISM): slender, linear H I features we dub 'fibers' that extend for many degrees at high Galactic latitude. To characterize and measure the extent and strength of these fibers, we present the Rolling Hough Transform, a new machine vision method for parameterizing the coherent linearity of structures in the image plane. With this powerful new tool we show that the fibers are oriented along the interstellar magnetic field as probed by starlight polarization. We find that these low column density (N{sub H} {sub I}≃5×10{sup 18} cm{sup –2}) fiber features are most likely a component of the local cavity wall, about 100 pc away. The H I data we use to demonstrate this alignment at high latitude are from the Galactic Arecibo L-Band Feed Array H I (GALFA-H I) Survey and the Parkes Galactic All Sky Survey. We find better alignment in the higher resolution GALFA-H I data, where the fibers are more visually evident. This trend continues in our investigation of magnetically aligned linear features in the Riegel-Crutcher H I cold cloud, detected in the Southern Galactic Plane Survey. We propose an application of the RHT for estimating the field strength in such a cloud, based on the Chandrasekhar-Fermi method. We conclude that data-driven, quantitative studies of ISM morphology can be very powerful predictors of underlying physical quantities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Trajectories with suppressed tensor-to-scalar ratio in Aligned Natural Inflation

In Aligned Natural Inflation, an alignment between different potential terms produces an inflaton excursion greater than the axion scales in the potential. We show that, starting from a general potential of two axions with two aligned potential terms, the effective theory for the resulting light direction is characterized by four parameters: an effective potential scale, an effective axion constant, and two extra parameters (related to ratios of the axion scales and the potential scales in the 2−field theory). For all choices of these extra parameters, the model can support inflation along valleys (in the 2−field space) that end in minima of the potential. This leads to a phenomenology similar to that of single field Natural Inflation. For a significant range of the extra two parameters, the model possesses also higher altitude inflationary trajectories passing through saddle points of the 2−field potential, and disconnected from any minimum. These plateaus end when the heavier direction becomes unstable, and therefore all of inflation takes place close to the saddle point, where—due to the higher altitude—the potential is flatter (smaller ε parameter). As a consequence, a tensor-to-scalar ratio r = O ( 10{sup −4} − 10{sup −2} ) can be easily achieved in the allowed n{sub s} region, well within the latest 1 σ CMB contours.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Frequency-network mechanism for alignment of diatomic molecules by multipulse excitation

There are several effective nonadiabatic alignment control schemes that use multilaser pulse excitation. To explain the control mechanisms in a unified manner through a case study, we apply nonresonant optimal control simulation to a rovibrational model of N{sub 2}. For experimental feasibility, we introduce a penalty and/or constraint to the simulation to impose restrictions on the number of optically accessible rotational states. When the control time is set to one rotational period, optimal pulses with linear polarization and a wavelength of around 800 nm are composed of three subpulses. From the power spectra of the intensities of the optimal pulses, we see that the optimal pulses construct a frequency network that connects the lowest three rotational Raman transitions. The frequency-network mechanism is confirmed by calculating the degree of alignment using sets of three Gaussian pulses. It shows several combinations of pulses that (approximately) satisfy the frequency-network condition, which can explain why there exist several control schemes that achieve a high degree of alignment.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Laser-assisted molecular alignment in a strongly dissipative environment

This paper shows that transient alignment of linear molecules in a dense collisional environment can result from the formation of trapped aligned ''dark'' states in a laser field constituting either a comb of resonant short pulses or a sinusoidally frequency-modulated wave with a continuous flux. Simulation of the laser-induced dynamics of CO molecules reveals that the latter approach is effective at room temperature and requires three orders of magnitude less laser intensity compared to known alignment techniques.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

On the Impact of Widening Vector Registers on Sequence Alignment

Vector extensions, such as SSE, have been part of the x86 since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. In this paper, we demonstrate that the trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. We present a practically efficient SIMD implementation of a parallel scan based sequence alignment algorithm that can better exploit wider SIMD units. We conduct comprehensive workload and use case analyses to characterize the relative behavior of the striped and scan approaches and identify the best choice of algorithm based on input length and SIMD width.

Needleman-Wunsch↗
DOE OSTI2023

1 kV Self-Aligned Vertical GaN Superjunction Diode

This work demonstrates vertical GaN superjunction (SJ) diodes fabricated via a novel self-aligned process. The SJ comprises n-GaN pillars wrapped by the charge-balanced p-type nickel oxide (NiO). After the NiO sputtering around GaN pillars, the self-aligned process exposes the top pillar surfaces without the need for additional lithography or a patterned NiO etching which is usually difficult. The GaN SJ diode shows a breakdown voltage (B V) of 1100 V, a specific on-resistance (R ON ) of 0.4 mΩ· cm2, and a SJ drift-region resistance ( R dr ) of 0.13 mΩ· cm2. Further, the device also exhibits good thermal stability with B V retained over 1 kV and R ON dropped to 0.3 mΩ· cm2 at 125°C. The trade-off between B V and R dr is superior to the 1D GaN limit. These results show the promise of vertical GaN SJ power devices. The self-aligned process is applicable for fabricating the heterogeneous SJ based on various wide- and ultra-wide bandgap semiconductors.

42 ENGINEERING↗
DOE OSTI2014

SU-E-J-94: Positioning Errors Resulting From Using Bony Anatomy Alignment for Treating SBRT Lung Tumor

Purpose: To quantify patient setups errors based on bony anatomy registration rather than 3D tumor alignment for SBRT lung treatments. Method: A retrospective study was performed for patients treated with lung SBRT and imaged with kV cone beam computed tomography (kV-CBCT) image-guidance. Daily CBCT images were registered to treatment planning CTs based on bony anatomy alignment and then inter-fraction tumor movement was evaluated by comparing shift in the tumor center in the medial-lateral, anterior-posterior, and superior-inferior directions. The PTV V100% was evaluated for each patient based on the average daily tumor displacement to assess the impact of the positioning error on the target coverage when the registrations were based on bony anatomy. Of the 35 patients studied, 15 were free-breathing treatments, 10 used abdominal compression with a stereotactic body frame, and the remaining 10 were performed with BodyFIX vacuum bags. Results: For free-breathing treatments, the range of tumor displacement error is between 1–6 mm in the medial-lateral, 1–13 mm in the anterior-posterior, and 1–7 mm in the superior-inferior directions. These positioning errors lead to 6–22% underdose coverage for PTV - V100% . Patients treated with abdominal compression immobilization showed positional errors of 0–4mm mediallaterally, 0–3mm anterior-posteriorly, and 0–2 mm inferior-superiorly with PTV - V100% underdose ranging between 6–17%. For patients immobilized with the vacuum bags, the positional errors were found to be 0–1 mm medial-laterally, 0–1mm anterior-posteriorly, and 0–2 mm inferior-superiorly with PTV - V100% under dose ranging between 5–6% only. Conclusion: It is necessary to align the tumor target by using 3D image guidance to ensure adequate tumor coverage before performing SBRT lung treatments. The BodyFIX vacuum bag immobilization method has the least positioning errors among the three methods studied when bony anatomy is used for registration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Alignment of RNA molecules: Binding energy and statistical properties of random sequences

A new statistical approach to the problem of pairwise alignment of RNA sequences is proposed. The problem is analyzed for a pair of interacting polymers forming an RNA-like hierarchical cloverleaf structures. An alignment is characterized by the numbers of matches, mismatches, and gaps. A weight function is assigned to each alignment; this function is interpreted as a free energy taking into account both direct monomer-monomer interactions and a combinatorial contribution due to formation of various cloverleaf secondary structures. The binding free energy is determined for a pair of RNA molecules. Statistical properties are discussed, including fluctuations of the binding energy between a pair of RNA molecules and loop length distribution in a complex. Based on an analysis of the free energy per nucleotide pair complexes of random RNAs as a function of the number of nucleotide types c, a hypothesis is put forward about the exclusivity of the alphabet c = 4 used by nature.

60 APPLIED LIFE SCIENCES↗