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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Optically enhanced patternable photosensitivity via oxygen excitation

The present disclosure relates to a method for performing a three dimensional (3D) printing process. A primary light beam having a wavelength sufficient to initiate polymerization of a photoresin is generated and patterned into a patterned primary beam. The patterned primary beam is directed toward an ultraviolet (UV) or visible light sensitive photoresin to initiate polymerization of select areas of the photoresin. The photoresin is also illuminated with a secondary light beam having a wavelength of at least one of about 765 nm, 1064 nm, or 1273 nm. The secondary light beam stimulates triplet oxygen into singlet oxygen, which controls oxygen inhibition in additional areas bordering the select areas, to enable controlled polymerization inhibition in the additional areas bordering the select areas.

Hensleigh, Ryan↗
DOE OSTI2015

Tunneling splittings in formic acid dimer: An adiabatic approximation to the Herring formula

Small symmetric molecules and low-dimensional model Hamiltonians are excellent systems for benchmarking theories to compute tunneling splittings. In this work, we investigate a three dimensional model Hamiltonian coupled to a harmonic bath that describes concerted proton transfer in the formic acid dimer. The three modes include the symmetric proton stretch, the symmetric dimer rock, and the dimer stretch. These modes provide a paradigm for the symmetric and anti-symmetric coupled tunneling pathways, these being recognized in the literature as two of the more important classes of coupling. The effects of selective vibrational excitation and coupling to a bath on the tunneling splittings are presented. The splittings for highly excited states are computed using a novel method that makes an adiabatic approximation to the Herring estimate. Results, which are in excellent agreement with the exact splittings, are compared with those obtained using the Makri-Miller approach. This latter method has been shown to provide quality results for tunneling splittings including highly excited vibrational states.

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

Stochastic simulation of electron avalanches on supercomputers

In the paper, we present a three-dimensional parallel Monte Carlo algorithm named ELSHOW which is developed for simulation of electron avalanches in gases. Parallel implementation of the ELSHOW was made on supercomputers with different architectures (massive parallel and hybrid ones). Using the ELSHOW, calculations of such integral characteristics as the number of particles in an avalanche, the coefficient of impact ionization, the drift velocity, and the others were made. Also, special precise computations were made to select an appropriate size of the time step using the technique of dependent statistical tests. Particularly, the algorithm consists of special methods of distribution modeling, a lexicographic implementation scheme for “branching” of trajectories, justified estimation of functionals. A comparison of the obtained results for nitrogen with previously published theoretical and experimental data was made.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes

The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors. Here in this paper, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. In conclusion, the finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of the ratio of ℓ 1 and ℓ 2 norms in compressed sensing

We study the ratio of ℓ 1 and ℓ 2 norms ( ℓ 1 / ℓ 2 ) as a sparsity-promoting objective in compressed sensing. We first propose a novel criterion that guarantees that an s-sparse signal is the local minimizer of the ℓ 1 / ℓ 2 objective; our criterion is interpretable and useful in practice. We also give the first uniform recovery condition using a geometric characterization of the null space of the measurement matrix, and show that this condition is satisfied for a class of random matrices. We also present analysis on the robustness of the procedure when noise pollutes data. Numerical experiments are provided that compare ℓ 1 / ℓ 2 with some other popular non-convex methods in compressed sensing. Finally, we propose a novel initialization approach to accelerate the numerical optimization procedure. We call this initialization approach support selection, and we demonstrate that it empirically improves the performance of existing ℓ 1 / ℓ 2 algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Carcinoma of the anal canal: Intensity modulated radiation therapy (IMRT) versus three-dimensional conformal radiation therapy (3DCRT)

Patients with anal canal carcinoma treated with standard conformal radiotherapy frequently experience severe acute and late toxicity reactions to the treatment area. Roohipour et al. (Dis Colon Rectum 2008; 51: 147–53) stated a patient's tolerance of chemoradiation to be an important prediction of treatment success. A new intensity modulated radiation therapy (IMRT) technique for anal carcinoma cases has been developed at the Andrew Love Cancer Centre aimed at reducing radiation to surrounding healthy tissue. A same-subject repeated measures design was used for this study, where five anal carcinoma cases at the Andrew Love Cancer Centre were selected. Conformal and IMRT plans were generated and dosimetric evaluations were performed. Each plan was prescribed a total of 54 Gray (Gy) over a course of 30 fractions to the primary site. The IMRT plans resulted in improved dosimetry to the planning target volume (PTV) and reduction in radiation to the critical structures (bladder, external genitalia and femoral heads). Statistically there was no difference between the IMRT and conformal plans in the dose to the small and large bowel; however, the bowel IMRT dose–volume histogram (DVH) doses were consistently lower. The IMRT plans were superior to the conformal plans with improved dose conformity and reduced radiation to the surrounding healthy tissue. Anecdotally it was found that patients tolerated the IMRT treatment better than the three-dimensional (3D) conformal radiation therapy. This study describes and compares the planning techniques.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

SU-F-T-401: Three-Dimensional Conformal Planning Using Low-Segment Multi-Criteria Optimization for Hippocampal Avoidance Whole Brain Radiotherapy

Purpose: Hippocampus avoidance whole brain radiotherapy (HA-WBRT) has been shown to reduce the risk of neurocognitive dysfunction. This type of treatment has the potential of insurance company payment denial due to increased cost of intensity modulated radiotherapy (IMRT), while the accepted modality for WBRT is three-dimensional conformal radiotherapy (3DCRT). The purpose of this study is to assess HA-WBRT treatment plans using 3DCRT and multi-criteria optimization (MCO) that meets the RTOG 0933 criteria. Methods: Ten patients with brain metastases at least 0.5cm away from the hippocampal avoidance region as defined in RTOG 0933 were selected in this study. HA-WBRT treatment plans with MCO 3DCRT technique (MCO-3D) was generated with beam arrangements and dose constraints following the RTOG 0933 guidelines. MCO-3D plans were compared with plans using MCO IMRT techniques (MCO-IMRT) with same beam arrangements and dose constraints. Evaluation parameters included D98% D2% and dose homogeneity index of PTV, and Dmax and D100% of the hippocampi. The OAR doses were also evaluated. Results: For MCO-IMRT plans, PTV D2% and hippocampi Dmax and D100% met RTOG 0933 objectives in all ten patients (PTV D2%<37.5Gy; Hippocampi Dmax<16Gy and D100%<9Gy). One patient met the RTOG 0933 PTV D98% objective (PTV D98%>25Gy) and 9/10 patients met acceptable variation (PTV D98%<25Gy). For MCO-3D plans, PTV D2% met RTOG 0933 objective for all patients; 1/10 patient for PTV D98% and 6/10 patients for Hippocampi Dmax and 7/10 patients for hippocampi D100% met RTOG 0933 objective. All the other patients met the RTOG 0933 acceptable variation requirement. (PTV D98%<25Gy; Hippocampi Dmax<17Gy and D100%<10Gy). Conclusion: All dosimetric parameters of MCO-3D plans met the criteria of at least acceptable variation per RTOG 0933. This may be helpful in cases where there is denial of patient’s medical insurance coverage due to the use of IMRT for HA-WBRT.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1977

The role of eigenvalues in linear feature selection theory

The analysis concerns the role of eigenvalues in determining a particular measure of pattern class distinction called the divergence, which is the pairwise average of the expected interclass divergence derived from Hajek's two-class divergence. Decel and Quirein (1973) showed that there always exists a k x n real matrix B such that the transformation determined by B maximizes divergence in k-dimensional space, and that B can be written as a product involving an orthogonal n x n matrix U. In the present paper it is shown that divergence measure of pattern class distinction does not depend on the eigenvalues of U.

Brown, D. R.↗
NASA NTRS1994

FRANC2D: A two-dimensional crack propagation simulator. Version 2.7: User's guide

FRANC 2D (FRacture ANalysis Code, 2 Dimensions) is a menu driven, interactive finite element computer code that performs fracture mechanics analyses of 2-D structures. The code has an automatic mesh generator for triangular and quadrilateral elements. FRANC2D calculates the stress intensity factor using linear elastic fracture mechanics and evaluates crack extension using several methods that may be selected by the user. The code features a mesh refinement and adaptive mesh generation capability that is automatically developed according to the predicted crack extension direction and length. The code also has unique features that permit the analysis of layered structure with load transfer through simulated mechanical fasteners or bonded joints. The code was written for UNIX workstations with X-windows graphics and may be executed on the following computers: DEC DecStation 3000 and 5000 series, IBM RS/6000 series, Hewlitt-Packard 9000/700 series, SUN Sparc stations, and most Silicon Graphics models.

Wawrzynek, Paul↗
DOE OSTI2014

Three-dimensional theory of Smith-Purcell free-electron laser with dielectric loaded grating

A dielectric loaded rectangular grating for Smith-Purcell devices is proposed in this paper. Regarding the electron beam as a moving plasma dielectric, a three dimensional (3D) linear theory of beam-wave interaction is developed. The first and second order growth rates are calculated, which are obtained by expanding hot dispersion equation at synchronous point. The results show that the cutoff frequency is affected by grating width. The dispersion curve becomes flatter and shifts towards lower frequency by loading dielectric in grooves. The simulation results, which are obtained by a 3D particle-in-cell code, are in good agreement with theoretical calculations. Compared the first and second order growth rate, it shows that the discrepancy is large when beam parameters are selected with high values. In this case, it is necessary to apply the second order growth rate, which can accurately describe the process of beam-wave interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2019

Numerical Investigation and Optimization of a Flushwall Injector for Scramjet Applications at Hypervelocity Flow Conditions

An investigation utilizing Reynolds-averaged simulations (RAS) was performed in order to demonstrate the use of design and analysis of computer experiments (DACE) methods in Sandia’s DAKOTA software package for surrogate modeling and optimization. These methods were applied to a flow- path fueled with an interdigitated flushwall injector suitable for scramjet applications at hyper- velocity conditions and ascending along a constant dynamic pressure flight trajectory. The flight Mach number, duct height, spanwise width, and injection angle were the design variables selected to maximize two objective functions: the thrust potential and combustion efficiency. Because the RAS of this case are computationally expensive, surrogate models are used for optimization. To build a surrogate model a RAS database is created. The sequence of the design variables comprising the database were generated using a Latin hypercube sampling (LHS) method. A methodology was also developed to automatically build geometries and generate structured grids for each design point. The ensuing RAS analysis generated the simulation database from which the two objective functions were computed using a one-dimensionalization (1D) of the three-dimensional simulation data. The data were fitted using four surrogate models: an artificial neural network (ANN), a cubic polynomial, a quadratic polynomial, and a Kriging model. Variance-based decomposition showed that both objective functions were primarily driven by changes in the duct height. Multiobjective design optimization was performed for all four surrogate models via a genetic algorithm method. Optimal solutions were obtained at the upper and lower bounds of the flight Mach number range. The Kriging model predicted an optimal solution set that exhibited high values for both objective functions. Additionally, three challenge points were selected to assess the designs on the Pareto fronts. Further sampling among the designs of the Pareto fronts may be required to lower the surrogate model errors and perform more accurate surrogate-model-based optimization.

Shenoy, Rajiv R.↗
DOE OSTI2014

Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system

We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A new perspective on plasmonics: Confinement and propagation length of surface plasmons for different materials and geometries [A new perspective on materials for plasmonics]

Surface-plasmon polaritons are electromagnetic waves propagating on the surface of a metal. Thanks to subwavelength confinement, they can concentrate optical energy on the micrometer or even nanometer scale, enabling new applications in bio-sensing, optical interconnects, and nonlinear optics, where small footprint and strong field concentration are essential. The major obstacle in developing plasmonic applications is dissipative loss, which limits the propagation length of surface plasmons and broadens the bandwidth of surface-plasmon resonances. Here, a new analysis of plasmonic materials and geometries is presented which fully considers the tradeoff between propagation length and degree of confinement. It is based on a two-dimensional analysis of two independent figures of merit and the analysis is applied to relevant plasmonic materials, e.g., noble metals, aluminum, silicon carbide, doped semiconductors, graphene, etc. Furthermore, the analysis provides guidance on how to improve the performance of any particular plasmonic application and substantially eases the selection of the plasmonic material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Characterization of texture and grain boundary character distributions of selective laser melted Inconel 625 alloy

Highlights: • <110> texture along layer build direction was generated in as-SLMed Inconel 625. • The stress relief process dominates texture and GBCD evolution. • SLMed IN 625 alloy can be GBEed via suitable post annealing. - Abstract: Select laser melting (SLM) is one of the practical metal additive manufacturing processes to fabricate complex structures. The inhomogeneous microstructure and high residual stress are typically resulted from a non-uniform melting and rapid solidification during a SLM process, which has the significant impact on part dimensional instability, corrosion resistance, and mechanical properties. The bulk of current research is limited to the general characterization of grain size, texture, and mechanical properties. However, grain boundary character distribution (GBCD) and its relationship with texture are yet to be understood. This study has shown that the preferred <110> along building direction and <100> along laser scanning direction were produced. The high density of low angle grain boundary (LAGB) can be an indicator of residual stress levels in the as-SLMed samples. The newly-developed ∑3, ∑9 and ∑27 grain boundaries were heavily populated, and the cluster of grains interfaced by ∑3{sup n} (n = 0, 1, 2…) was introduced at the expense of LAGB only at high recrystallization annealing (1150°C or over). The research results suggest that GBCD optimization be possible in the SLMed Inconel 625 alloy via suitable post annealing, which allows improving intergranular corrosion resistance and enhancing mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Clinical applications of 3-dimensional printing in radiation therapy

Three-dimensional (3D) printing is suitable for the fabrication of complex radiotherapy bolus. Although investigated from dosimetric and feasibility standpoints, there are few reports to date of its use for actual patient treatment. This study illustrates the versatile applications of 3D printing in clinical radiation oncology through a selection of patient cases, namely, to create bolus for photon and modulated electron radiotherapy (MERT), as well as applicators for surface high-dose rate (HDR) brachytherapy. Photon boluses were 3D-printed to treat a recurrent squamous cell carcinoma (SCC) of the nasal septum and a basal cell carcinoma (BCC) of the posterior pinna. For a patient with a mycosis fungoides involving the upper face, a 3D-printed MERT bolus was used. To treat an SCC of the nose, a 3D-printed applicator for surface brachytherapy was made. The structures' fit to the anatomy and the radiotherapy treatment plans were assessed. Based on the treatment planning computed tomography (CT), the size of the largest air gap at the interface of the 3D-printed structure was 3 mm for the SCC of the nasal septum, 3 mm for the BCC of the pinna, 2 mm for the mycosis fungoides of the face, and 2 mm for the SCC of the nose. Acceptable treatment plans were obtained for the SCC of the nasal septum (95% isodose to 99.8% of planning target volume [PTV]), the BCC of the pinna (95% isodose to 97.7% of PTV), and the mycosis fungoides of the face (90% isodose to 92.5% of PTV). For the latter, compared with a plan with a uniform thickness bolus, the one featuring the MERT bolus achieved relative sparing of all the organs at risk (OARs) distal to the target volume, while maintaining similar target volume coverage. The surface brachytherapy plan for the SCC of the nose had adequate coverage (95% isodose to 95.6% of clinical target volume [CTV]), but a relatively high dose to the left eye, owing to its proximity to the tumor. 3D printing can be implemented effectively in the clinical setting to create highly conformal bolus for photon and MERT, as well as applicators for surface brachytherapy.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Large Amplitude Oscillatory Shear of Block Copolymer Spheres on a Body-Centered Cubic Lattice: Are Micelles Like Metals?

Small-angle X-ray diffraction experiments have uncovered a remarkable mechanism of grain alignment during plastic deformation of ordered sphere-forming diblock copolymer micelles when subjected to large amplitude dynamic shearing. A nearly monodisperse poly(styrene-b-ethylene-alt-propylene) (SEP) diblock copolymer with block molecular weights of 42,000 and 60,000 was mixed with squalane (C{sub 30}H{sub 62}), an EP selective solvent, at a concentration of 10 wt %. After high temperature annealing, the sample formed an ordered polydomain morphology containing glassy S cores at room temperature. SAXS powder patterns confirm body-centered cubic (BCC) symmetry and reveal the development of a complex array of two-dimensionally resolved Bragg reflections following the application, and cessation, of oscillatory shearing. These diffraction results are interpreted on the basis of the classic mechanism of crystalline slip, which accounts for plastic deformation of ductile materials such as metals. Four distinct slip systems are shown to be active in this work, suggesting a robust basis for deforming and mixing of soft ordered solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Direct measurement of proximity-induced magnetism at the interface between a topological insulator and a ferromagnet

When a topological insulator (TI) is in contact with a ferromagnet, both time-reversal and inversion symmetries are broken at the interface. An energy gap is formed at the TI surface, and its electrons gain a net magnetic moment through short-range exchange interactions. Magnetic TIs can host various exotic quantum phenomena, such as massive Dirac fermions, Majorana fermions, the quantum anomalous Hall effect and chiral edge currents along the domain boundaries. However, selective measurement of induced magnetism at the buried interface has remained a challenge. Using magnetic second-harmonic generation, we directly probe both the in-plane and out-of-plane magnetizations induced at the interface between the ferromagnetic insulator (FMI) EuS and the three-dimensional TI Bi 2 Se 3 . Furthermore, our findings not only allow characterizing magnetism at the TI–FMI interface but also lay the groundwork for imaging magnetic domains and domain boundaries at the magnetic TI surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Decomposing electronic and lattice contributions in optical pump – X-ray probe transient inner-shell absorption spectroscopy of CuO

Electronic and lattice contributions to picosecond time-resolved X-ray absorption spectra (trXAS) of CuO at the oxygen K-edge are analyzed by comparing trXAS spectra, recorded using excitation wavelengths of 355 nm and 532 nm, to steady-state, temperature-dependent XAS measurements. The trXAS spectra at pump-probe time-delays ≥150 ps are dominated by lattice heating effects. Insight into the temporal evolution of lattice temperature profiles on timescales up to 100s of nanoseconds after laser excitation are reported, on an absolute temperature scale, with a temporal sensitivity and a spatial selectivity on the order of 10s of picoseconds and 10s of nanometers, respectively, effectively establishing an "ultrafast thermometer". In particular, for the 532 nm experiment at ~5 mJ cm -2 fluence, both the initial sample temperature and its dynamic evolution are well captured by a one-dimensional thermal energy deposition and diffusion model. The thermal conductivity k = (1.3 ± 0.4) W m -1 K -1 derived from this model is in good agreement with the literature value for CuO powder, k powder = 1.013 W m -1 K -1 . For 355 nm excitation, a quantitative analysis of the experiments is hampered by the large temperature gradients within the probed sample volume owing to the small UV penetration depth. The impact of the findings on mitigating or utilizing photoinduced lattice temperature changes in future X-ray free electron laser (XFEL) experiments is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗