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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Influence plots for LASSO

With many predictors in regression, fitting the full model can induce multicollinearity problems. Least Absolute Shrinkage and Selection Operation (LASSO) is useful when the effects of many explanatory variables are sparse in a high-dimensional dataset. Influential points can have a disproportionate impact on the estimated values of model parameters. Here, this paper describes a new influence plot that can be used to increase understanding of the contributions of individual observations and the robustness of results. This can serve as a complement to other regression diagnostics techniques in the LASSO regression setting. Using this influence plot, we can find influential points and their impact on shrinkage of model parameters and model selection. Lastly, we provide two examples to illustrate the methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Enhancing Biological Analyses with Three Dimensional Field Asymmetric Ion Mobility, Low Field Drift Time Ion Mobility and Mass Spectrometry (µFAIMS/IMS-MS) Separations

We report the first evaluation of a platform coupling a high speed field asymmetric ion mobility spectrometry microchip (µFAIMS) with drift tube ion mobility and mass spectrometry (IMS-MS). The µFAIMS/IMS-MS platform was used to analyze biological samples and simultaneously acquire multidimensional information of detected features from the measured FAIMS compensation fields and IMS drift times, while also obtaining accurate ion masses. These separations thereby increase the overall separation power, resulting increased information content, and provide more complete characterization of more complex samples. The separation conditions were optimized for sensitivity and resolving power by the selection of gas compositions and pressures in the FAIMS and IMS separation stages. The resulting performance provided three dimensional separations, benefitting both broad complex mixture studies and targeted analyses by e.g. improving isomeric separations and allowing detection of species obscured by “chemical noise” and other interfering peaks.

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

Post-synthetic halide conversion and selective halogen capture in hybrid perovskites

Reaction with halogen vapor allows us to post-synthetically exchange halides in both three- (3D) and two-dimensional (2D) organic–inorganic metal-halide perovskites. Films of 3D Pb–I perovskites cleanly convert to films of Pb–Br or Pb–Cl perovskites upon exposure to Br2 or Cl2 gas, respectively. This gas–solid reaction provides a simple method to produce the high-quality Pb–Br or Pb–Cl perovskite films required for optoelectronic applications. Reactivity with halogens can be extended to the organic layers in 2D metal-halide perovskites. Here, terminal alkene groups placed between the inorganic layers can capture Br2 gas through chemisorption to form dibromoalkanes. This reaction's selectivity for Br2 over I2 allows us to scrub Br2 to obtain high-purity I2 gas streams. We also observe unusual halogen transfer between the inorganic and organic layers within a single perovskite structure. Remarkably, the perovskite's crystallinity is retained during these massive structural rearrangements.

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

Development of an ion beam analyzing system for the KBSI heavy-ion accelerator

The Korea Basic Science Institute (KBSI) has been developing a heavy ion accelerator system to accelerate high current, multi-charge state ions produced by a 28 GHz superconducting electron cyclotron ion source. A beam analyzing system as a part of the low energy beam transport apparatus was developed to select charged particles with desirable charge states from the ion beams. The desired species of ion, which is generated and extracted from the ECR ion source including various ion particles, can be selected by 90° dipole electromagnet. Due to the non-symmetrical structure in the coil as well as the non-linear permeability of the yoke material coil, a three dimensional analysis was carried out to confirm the design parameters. In this paper, we present the experimental results obtained as result of an analysis of KBSI accelerator. The effectiveness of beam selection was confirmed during the test of the analyzing system by injecting an ion beam from an ECR ion source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Production of Linear Octenes from Oligomerization of 1-Butene over Carbon-Supported Cobalt Catalysts

Here, linear octenes were produced in high (70–85%) selectivity from oligomerization of liquid 1-butene using carbon-supported cobalt oxide catalysts in a continuous flow reactor. The liquid products were characterized by two-dimensional gas chromatography–mass spectrometry. Above 95% of the oligomers were C8 olefins, with the other products primarily being branched C12 olefins. The linear octene products at a conversion of 9.77% decreased in selectivity according to 3-octene > trans-2-octene > cis-2-octene > 4-octene. Methyl-heptenes including trans/cis-5-methyl-2-heptene > trans/cis-5-methyl-3-heptene > trans-3-methyl-2-heptene (at the lowest conversion) were the other major products summing to 15.6%. The selectivity of linear octenes decreased from 84 to 78% as the conversion increased from 10% to 29%. The product distribution suggests the reaction pathway involves a head-to-head coupling of two 1-butene molecules to form internal linear octenes. Head-to-tail coupling of two 1-butene molecules or a coupling between 1-butene and 2-butene forms the observed methyl-heptenes. The rate of head-to-head coupling is higher than the rate of head-to-tail or the rate of 1-butene to 2-butene coupling as indicated by the higher selectivity of linear octenes. The activated catalyst contained both Co 3 O 4 and CoO as confirmed by X-ray diffraction (XRD), in situ Raman spectroscopy, and X-ray absorption spectroscopy. The cobalt oxide particle size was estimated to be between 5 and 10 nm by high-resolution transmission electron microscopy and XRD. The Co 3 O 4 /CoO ratio decreased with increasing pretreatment temperature. Metallic cobalt, which has a low catalytic activity, formed at 550 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Method of forming variable cross-sectional shaped three-dimensional fabrics

Method of weaving a variable cross-sectional shaped three-dimensional fabric which utilizes different weft yarn insertion from at least one side of the warp layers for selectively inserting weft yarns into different portions of the fabric cross-sectional profile defined by the warp yarn layers during the weaving process. If inserted from both sides of the warp yarn layers, the weft yarns may be inserted simultaneously or alternately from each side of the warp yarn layers. The vertical yarn is then inserted into the fabric by reciprocation of a plurality of harnesses which separate the vertical yarn into a plurality of vertical yarn systems as required by the shape of the three-dimensional fabric being formed.

Mohamed, Mansour H.↗
DOE OSTI2026

Consequential improvement acquisition function for efficient multi-fidelity Bayesian optimization

Abstract Surrogate-based Bayesian optimization has been widely applied in design optimization to increase sampling efficiency. However, the cost for each evaluation of the objective function can still be very high when physical experiments or large-scale simulations are involved. Multi-fidelity Bayesian optimization is the new approach to further improve the sampling efficiency by reducing the number of expensive samples at the highest fidelity level and supplementing them with less expensive ones at low-fidelity levels. In this paper, a new consequential improvement (CI) acquisition function is proposed to allow for the simultaneous selection of the solution and the fidelity level in problems with a known hierarchy of fidelity levels. The new CI acquisition function incorporates the consequential effectiveness of objective improvement with the considerations of cost, accuracy, and validity differences between high- and low-fidelity samples in engineering practice. The new method of multi-fidelity Bayesian optimization based on the CI is demonstrated with several analytical and simulation-based design examples. In the simulation-based design optimization example, the results show that the CI acquisition function has a decisive advantage in the sampling efficiency over the other methods of multi-fidelity Bayesian optimization with simultaneous selection. The results indicate that the proposed method is particularly advantageous in solving high-dimensional problems and when large cost ratios between high- and low-fidelity evaluations exist and high-fidelity validation is mandatory. Furthermore, the method robustly avoids the prevalent issue of over sampling at low-fidelity levels.

Aydogdu, Ibrahim [Georgia Institute of Technology,↗
DOE OSTI2017

Bridging the divide between theory and guidance in strategic environmental assessment: A path for Italian regions

Clear and effective legislation is a requisite to bring sustainable development from theory into practice. This paper develops a methodology to investigate how Italian regional legislation disciplines the use of Strategic Environmental Assessment (SEA), the procedure used in the European Union (EU) to pursue sustainable development of policies, plans, and programs (PPPs). Our case study is the Italian regional level, examined to identify eventual flaws and areas for improvement for each regional legislative framework. For this purpose, this study refers to a selection of analytical criteria recurring in the international debate on sustainability assessments. Statistical multi-dimensional analysis is used to identify Italian regions with similar SEA legislation. We recognize four taxonomies, depending on the way regional legislation provides information about i) legislation and guidelines, ii) integration between SEA and PPPs, iii) sustainability goals, iv) technical organization, v) participatory organization, and vi) monitoring. The results suggest that Italian administrators should cooperate to improve legislation at the regional level. Acknowledging the institution-centred nature of SEA, this methodology could drive the EU to better support SEA development in countries with diversified traditions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Clinical benefits of new immobilization system for hypofractionated radiotherapy of intrahepatic hepatocellular carcinoma by helical tomotherapy

Objective: A comprehensive clinical evaluation was conducted, assessing the Body Pro-Lok immobilization and positioning system to facilitate hypofractionated radiotherapy of intrahepatic hepatocellular carcinoma (HCC), using helical tomotherapy to improve treatment precision. Methods: Clinical applications of the Body Pro-Lok system were investigated (as above) in terms of interfractional and intrafractional setup errors and compressive abdominal breath control. To assess interfractional setup errors, a total of 42 patients who were given 5 to 20 fractions of helical tomotherapy for intrahepatic HCC were analyzed. Overall, 15 patients were immobilized using simple vacuum cushion (group A), and the Body Pro-Lok system was used in 27 patients (group B), performing megavoltage computed tomography (MVCT) scans 196 times and 435 times, respectively. Pretreatment MVCT scans were registered to the planning kilovoltage computed tomography (KVCT) for error determination, and group comparisons were made. To establish intrafractional setup errors, 17 patients with intrahepatic HCC were selected at random for immobilization by Body Pro-Lok system, undergoing MVCT scans after helical tomotherapy every week. A total of 46 MVCT re-scans were analyzed for this purpose. In researching breath control, 12 patients, randomly selected, were immobilized by Body Pro-Lok system and subjected to 2-phase 4-dimensional CT (4DCT) scans, with compressive abdominal control or in freely breathing states, respectively. Respiratory-induced liver motion was then compared. Results: Mean interfractional setup errors were as follows: (1) group A: X, 2.97 ± 2.47 mm; Y, 4.85 ± 4.04 mm; and Z, 3.77 ± 3.21 mm; pitch, 0.66 ± 0.62°; roll, 1.09 ± 1.06°; and yaw, 0.85 ± 0.82°; and (2) group B: X, 2.23 ± 1.79 mm; Y, 4.10 ± 3.36 mm; and Z, 1.67 ± 1.91 mm; pitch, 0.45 ± 0.38°; roll, 0.77 ± 0.63°; and yaw, 0.52 ± 0.49°. Between-group differences were statistically significant in 6 directions (p < 0.05). Mean intrafractional setup errors with use of the Body Pro-Lok system were as follows: X, 0.41 ± 0.46 mm; Y, 0.86 ± 0.80 mm; Z, 0.33 ± 0.44 mm; and roll, 0.12 ± 0.19°. Mean liver-induced respiratory motion determinations were as follows: (1) abdominal compression: X, 2.33 ± 1.22 mm; Y, 5.11 ± 2.05 mm; Z, 2.13 ± 1.05 mm; and 3D vector, 6.22 ± 1.94 mm; and (2) free breathing: X, 3.48 ± 1.14 mm; Y, 9.83 ± 3.00 mm; Z, 3.38 ± 1.59 mm; and 3D vector, 11.07 ± 3.16 mm. Between-group differences were statistically different in 4 directions (p < 0.05). Conclusions: The Body Pro-Lok system is capable of improving interfractional and intrafractional setup accuracy and minimizing tumor movement owing to respirations in patients with intrahepatic HCC during hypofractionated helical tomotherapy.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

A validation of the fibre orientation and fibre length attrition prediction for long fibre-reinforced thermoplastics

To improve the mechanical performance of polymeric parts, fibre reinforcement has established in industrial applications during the last decades. Next to the widely used Short Fibre-reinforced Thermoplastics (SFT) the use of Long Fibre-reinforced Thermoplastics (LFT) is increasingly growing. Especially for non-polar polymeric matrices like polypropylene (PP), longer fibres can significantly improve the mechanical performance. As with every kind of discontinuous fibre reinforcement the fibre orientations (FO) show a high impact on the mechanical properties. On the contrary to SFT where the local fibre length distribution (FLD) can be often neglected, for LFT the FLD show a high impact on the material’s properties and has to be taken into account in equal measure to the FOD. Recently numerical models are available in commercial filling simulation software and allow predicting both the local FOD and FLD in LFT parts. The aim of this paper is to compare i.) the FOD results and ii) the FLD results from available orientation- and fibre length attrition-models to those obtained from experimental data. The investigations are conducted by the use of different injection moulded specimens made from long glass fibre reinforced PP. In order to determine the FOD, selected part sections are examined by means of Computed Tomographic (CT) analyses. The fully three dimensional measurement of the FOD is then performed by digital image processing using grey scale correlation. The FLD results are also obtained by using digital image processing after a thermal pyrolytic separation of the polymeric matrix from the fibres. Further the FOD and the FLD are predicted by using a reduced strain closure (RSC) as well as an anisotropic rotary diffusion - reduced strain closure model (ARD-RSC) and Phelps-Tucker fibre length attrition model implemented in the commercial filling software Moldflow, Autodesk Inc., San Rafael, CA, USA.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Realization of an all optical exciton-polariton router

We report on the experimental realization of an all optical router for exciton-polaritons. This device is based on the design proposed by Flayac and Savenko [Appl. Phys. Lett. 103, 201105 (2013)], in which a zero-dimensional island is connected through tunnel barriers to two periodically modulated wires of different periods. Selective transmission of polaritons injected in the island, into either of the two wires, is achieved by tuning the energy of the island state across the band structure of the modulated wires. We demonstrate routing of ps polariton pulses using an optical control beam which controls the energy of the island quantum states, thanks to polariton-exciton interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

$\testit{d}$-wave superconductivity and Bogoliubov-Fermi surfaces in Rarita-Schwinger-Weyl semimetals

In this work, we uncover the properties of complex tensor ($\textit{d}$-wave) superconducting order in three-dimensional Rarita-Schwinger-Weyl semimetals that host pseudospin-$\frac{3}{2}$ fermions at a fourfold linear band-crossing point. Although the general theory of $\textit{d}$-wave order was originally developed for materials displaying quadratic band touching, it directly applies to the case of semimetals with linear dispersion, several candidate compounds of which have been discovered experimentally very recently. The spin-$\frac{3}{2}$ nature of the fermions allows for the formation of spin-2 Cooper pairs which may be described by a complex second-rank tensor order parameter. In the case of linear dispersion, for the chemical potential at the Fermi point and at strong coupling, the energetically preferred superconducting state is the uniaxial nematic state, which preserves time-reversal symmetry and provides a full (anisotropic) gap for quasiparticle excitations. In contrast, at a finite chemical potential, we find that the usual weak-coupling instability is toward the “cyclic state,” well known from the studies of multicomponent Bose-Einstein condensates, which breaks time-reversal symmetry maximally, has vanishing average value of angular momentum, and features 16 small Bogoliubov-Fermi surfaces. The Rarita-Schwinger-Weyl semimetals provide therefore the first example of weakly coupled, three-dimensional, isotropic $\textit{d}$-wave superconductors where the $\textit{d}$-wave superconducting phase is uniquely selected by the quartic expansion of the mean-field free energy, and is not afflicted by the accidental degeneracy first noticed by Mermin over 40 years ago. We discuss the appearance and stability of the Bogoliubov-Fermi surfaces in absence of inversion symmetry in the electronic Hamiltonian, as in the case at hand.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

SU-F-I-03: Correction of Intra-Fractional Set-Up Errors and Target Coverage Based On Cone-Beam Computed Tomography for Cervical Cancer Patients

Purpose: The purpose of this study is to investigate the patient set-up error and interfraction target coverage in cervical cancer using image-guided adaptive radiotherapy (IGART) with cone-beam computed tomography (CBCT). Methods: Twenty cervical cancer patients undergoing intensity modulated radiotherapy (IMRT) were randomly selected. All patients were matched to the isocenter using laser with the skin markers. Three dimensional CBCT projections were acquired by the Varian Truebeam treatment system. Set-up errors were evaluated by radiation oncologists, after CBCT correction. The clinical target volume (CTV) was delineated on each CBCT, and the planning target volume (PTV) coverage of each CBCT-CTVs was analyzed. Results: A total of 152 CBCT scans were acquired from twenty cervical cancer patients, the mean set-up errors in the longitudinal, vertical, and lateral direction were 3.57, 2.74 and 2.5mm respectively, without CBCT corrections. After corrections, these were decreased to 1.83, 1.44 and 0.97mm. For the target coverage, CBCT-CTV coverage without CBCT correction was 94% (143/152), and 98% (149/152) with correction. Conclusion: Use of CBCT verfication to measure patient setup errors could be applied to improve the treatment accuracy. In addition, the set-up error corrections significantly improve the CTV coverage for cervical cancer patients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Developing the User Experience for a Next Generation Nuclear Fuel Cycle Simulator (NGFCS)

This project made substantial progress on its original aim for providing a modern user experience for nuclear fuel cycle analysis while also creating a robust and functional next- generation fuel cycle simulator. The Cyclus kernel experienced a dramatic clari cation of its interfaces and data model, becoming a full- edged agent-based framework, with strong support for third party developers of novel archetypes. The most important contribution of this project to the the development of Cyclus was the introduction of tools to facilitate archetype development. These include automated code generation of routine archetype components, metadata annotations to provide re ection and rich description of each data member's purpose, and mechanisms for input validation and output of complex data. A comprehensive social science investigation of decision makers' interests in nuclear fuel cycles, and speci cally their interests in nuclear fuel cycle simulators (NFCSs) as tools for understanding nuclear fuel cycle options, was conducted. This included document review and analysis, stakeholder interviews, and a survey of decision makers. This information was used to study the role of visualization formats and features in communicating information about nuclear fuel cycles. A exible and user-friendly tool was developed for building Cyclus analysis models, featuring a drag-and-drop interface and automatic input form generation for novel archetypes. Cycic allows users to design fuel cycles from arbitrary collections of facilities for the rst time, with mechanisms that contribute to consistency within that fuel cycle. Interacting with some of the metadata capabilities introduced in the above-mentioned tools to support archetype development, Cycic also automates the generation of user input forms for novel archetypes with little to no special knowledge required by the archetype developers. Translation of the fundamental metrics of Cyclus into more interesting quantities is accomplished in the Cymetric python package. This package is speci cally designed to support the introduction of new metrics by building upon existing metrics. This concept allows for multiple dependencies and encourages building complex metrics out of incremental transformations to those prior metrics. New archetype developers can contribute their own archetype-speci c metric using the same capability. A simple demonstration of this capability focused on generating time-dependent cash ows for reactor deployment that could then be analyzed in di erent ways. Cyclist, a dedicated application for exploration of Cyclus results, was developed. It's primary capabilities at this stage are best-suited to experienced fuel cycle analysts, but it provides a basic platform for simpler visualizations for other audiences. An important part of its interface is the ability to uidly examine di erent slices of what is fundamentally a ve-dimensional sparse data set. A drag-and-drop interface simpli es the process of selecting which data is displayed in the plot as well as which dimensions are being used for

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Next Generation Chemical Agent Detection Architecture [Poster]

Sandia National Labs (SNL)-designed, portable chemical warfare agent (CWA) detection systems consist of three-stages: collection, separation, and detection. We use microfabrication technologies to miniaturize these stages and to reduce the overall size, weight, power, and (potentially) cost of the final system. Our newest system consists of a multi-dimensional separation stage and an miniature ion mobility spectrometer (IMS) detector for unprecedented system sensitivity, selectivity, and depth of target list.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Combustion of petroleum-based transportation fuels and their blends with biofuels: a new approach for developing surrogates and understanding the effects of blending

Accurate and versatile reaction mechanisms are necessary to simulate combustion of transportation fuels blended with biofuels for improving fuel efficiency, reducing fuel consumption and mitigating the formation and emissions of combustion products harmful to the atmosphere. This project involved a combined effort of simulation and experimentation of liquid fuel burning using a combustion configuration amenable to numerical modeling with a level of detail not previously achieved for blends of biofuels with gasoline certification and surrogate fuels. The configuration of an isolated droplet burning under conditions where gas transport arises solely from fuel evaporation was selected as the platform for experiments and numerical modeling. The spherical symmetry and one-dimensional gas transport that results enabled simulating the droplet burning process with an precedented level of detail. Processes associated with unsteady gas and liquid transport, formation of particulate and gaseous products, radiation, multicomponent phase equilibrium at the droplet surface and moving boundary effects from droplet evaporation, were incorporated in a single numerical framework. The numerical model was based on the open source code OPENSmoke++ (OS) adapted to incorporate the effects noted above. In addition to simulation, an experimental design was developed for the isolated droplet configuration to acquire the data needed for validating the numerical model. Several broad accomplishments of the project were the following: demonstrating generally excellent agreement between measured and simulated combustion parameters for the fuel blends examined that included mixtures of heptane and isobutanol as a model system, and surrogates comprised of up to seven miscible components mixed with ethanol or isobutanol as representative biofuel additives; using a new approach to validate reaction mechanisms of biofuel blends which incorporated fuel evaporation into the process along with developing an experimental design for acquiring data to compare with simulations; and showing that a wealth of information could be obtained on the combustion physics of biofuels from experiments requiring volumes on the order of only nanoliters at a time thus opening the way to evaluating biofuels synthesized by new processes early in development.

02 PETROLEUM↗