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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Fully Automated Laser Ablation Liquid Capture Sample Analysis using NanoElectrospray Ionization Mass Spectrometry

RATIONALE: Laser ablation provides for the possibility of sampling a large variety of surfaces with high spatial resolution. This type of sampling when employed in conjunction with liquid capture followed by nanoelectrospray ionization provides the opportunity for sensitive and prolonged interrogation of samples by mass spectrometry as well as the ability to analyze surfaces not amenable to direct liquid extraction. METHODS: A fully automated, reflection geometry, laser ablation liquid capture spot sampling system was achieved by incorporating appropriate laser fiber optics and a focusing lens into a commercially available, liquid extraction surface analysis (LESA ) ready Advion TriVersa NanoMate system. RESULTS: Under optimized conditions about 10% of laser ablated material could be captured in a droplet positioned vertically over the ablation region using the NanoMate robot controlled pipette. The sampling spot size area with this laser ablation liquid capture surface analysis (LA/LCSA) mode of operation (typically about 120 m x 160 m) was approximately 50 times smaller than that achievable by direct liquid extraction using LESA (ca. 1 mm diameter liquid extraction spot). The set-up was successfully applied for the analysis of ink on glass and paper as well as the endogenous components in Alstroemeria Yellow King flower petals. In a second mode of operation with a comparable sampling spot size, termed laser ablation/LESA , the laser system was used to drill through, penetrate, or otherwise expose material beneath a solvent resistant surface. Once drilled, LESA was effective in sampling soluble material exposed at that location on the surface. CONCLUSIONS: Incorporating the capability for different laser ablation liquid capture spot sampling modes of operation into a LESA ready Advion TriVersa NanoMate enhanced the spot sampling spatial resolution of this device and broadened the surface types amenable to analysis to include absorbent and solvent resistant materials.

alstroemeria↗
DOE OSTI2019

Nonnegative tensor decomposition with custom clustering for microphase separation of block copolymers

High–dimensional datasets are becoming ubiquitous in many applications and therefore unsupervised tensor methods to interrogate them are needed. Here, we report a new unsupervised machine learning (ML) approach (NTFk) based on nonnegative tensor factorization integrated with a custom k–means clustering. We demonstrate the ability of NTFk to extracting temporal and spatial features of phase separation of copolymers as they are modeled by self–consistent field theory. Microphase separation of block copolymers has been extensively studied both experimentally and theoretically. However, the interpretation of computer simulations and/or experimental data, representing temporal and spatial changes of molecular species concentration is still a challenging task. Thus, extracting the phase diagram from simulations or experimental data as well as the interpretation of data requires discernment of the model/experimental parameters (such as, temperature, concentrations, the number of molecular species and the interaction between species) impact on the microphase separation process. An attractive and unique aspect of the introduced ML method is that it ensures the nonnegativity of the extracted latent features. Nonnegativity is an essential constraint needed to obtain interpretable and sparse latent features that are parts–based representation of the data. The custom clustering in NTFk serves to estimate the number of latent features in the data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Heterogeneous Catalysis by Fullerene C 60 : Photocatalytic Dehydro‐Dimerization of Primary Amines and Tetrahydroquinolines Studied Using Thread Spray Mass Spectrometry

Abstract Removal of a catalyst after a catalytic process is a time‐consuming and challenging process. In this paper, a fullerene catalyst coated on cellulose thread is developed and applied it in a heterogeneous photoreaction screening via a thread spray mass spectrometry (MS) platform. The surface of the cellulose thread is modified with NH 2 groups, which subsequently allows immobilization of fullerene C 60 on the thread. The final fullerene functionalized thread is placed in a glass capillary and the solution of the reactant to be interrogated is added. The assembly of thread and glass capillary is placed in front of a mass spectrometer, which serves as an online photoreaction platform after a light source and direct current high voltage are applied. As an ambient ionization approach, the photocatalytic reaction screening platform enabled real‐time MS characterization of products and intermediates and using only nanomole quantities of reactants. Fullerene C 60 is identified to facilitate dehydro‐dimerization reactions from amines. Norharmane shows a unique photo‐oxygenated dimer formation. The functionalized threads immobilized with fullerene C 60 are reusable, confirming the heterogeneous nature of the platform. Thus, this system provided real‐time screening of reactions catalyzed by fullerene C 60 and a means to investigate the reaction mechanism.

Chemistry↗
DOE OSTI2025

Electroweak observables in neutrino-electron scattering from a muon storage ring

We investigate the sensitivity of a companion neutrino detector situated in the plane of a high-energy, high-intensity muon storage ring to elastic ν μ and ν e scattering on electrons (EνES). Assuming a muon collider with center-of-mass energies of up to 10 TeV, we report sensitivity to the weak couplings g V and g A up to around 0.05% relative error, and sensitivity to the weak mixing angle in the momentum transfer Q ∈ [10 −2 , 2] GeV range up to around 0.03% relative error. EνES measurements with high-energy muon storage rings allow one to directly interrogate the momentum-transfer regime associated with the NuTeV anomaly. This level of precision allows unique sensitivity to the momentum-dependence of sin 2 θ W . We estimate that with the neutrinos from a E μ = 1.5 TeV (or higher) muon collider, the hypothesis that sin 2 θ W does not “run” can be safely ruled out.

electroweak precision physics↗
DOE OSTI2012

Validation of macromolecular flexibility in solution by small-angle X-ray scattering (SAXS)

The dynamics of macromolecular conformations are critical to the action of cellular networks. Solution X-ray scattering studies, in combination with macromolecular X-ray crystallography (MX) and nuclear magnetic resonance (NMR), strive to determine complete and accurate states of macromolecules, providing novel insights describing allosteric mechanisms, supramolecular complexes, and dynamic molecular machines. This review addresses theoretical and practical concepts, concerns, and considerations for using these techniques in conjunction with computational methods to productively combine solution-scattering data with high-resolution structures. I discuss the principal means of direct identification of macromolecular flexibility from SAXS data followed by critical concerns about the methods used to calculate theoretical SAXS profiles from high-resolution structures. The SAXS profile is a direct interrogation of the thermodynamic ensemble and techniques such as, for example, minimal ensemble search (MES), enhance interpretation of SAXS experiments by describing the SAXS profiles as population-weighted thermodynamic ensembles. I discuss recent developments in computational techniques used for conformational sampling, and how these techniques provide a basis for assessing the level of the flexibility within a sample. Although these approaches sacrifice atomic detail, the knowledge gained from ensemble analysis is often appropriate for developing hypotheses and guiding biochemical experiments. Examples of the use of SAXS and combined approaches with X-ray crystallography, NMR, and computational methods to characterize dynamic assemblies are presented.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Profunda Anchor Technique for Ipsilateral Antegrade Approach in Endovascular Treatment of Superficial Femoral Artery Ostial Occlusion

Endovascular treatment of the superficial femoral artery (SFA) is challenging in the presence of flush ostial occlusion. One of the main challenges is the availability of access sites for intervention. Contralateral retrograde femoral access followed by cross-over and antegrade intervention while commonly used, may not be feasible in cases of altered iliac anatomy (e.g. kissing iliac stents). Ipsilateral antegrade intervention using common femoral artery (CFA) access in these instances while possible is typically challenging due to inadequate working length of the CFA for interrogation of the SFA ostium, compounded by the lack of sheath stability. The “profunda anchor” technique uses a buddy wire in the profunda femoris artery (PFA) to stabilize the sheath and allow catheter manipulation for antegrade intervention at the level of the SFA ostium. The PFA is further used as a conduit for deployment of closure device to avoid interference with the treated SFA.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Integrated positron emission particle tracking (PEPT) and X-ray computed tomography (CT) imaging of flow phenomena in twisted tape swirl flow

Abstract A combined positron emission particle tracking (PEPT) and X-ray computed tomography (CT) technique is presented, and its utility is demonstrated through investigation of flow in a pipe with twisted tape swirl insert with varying flow conditions (diameter-based Reynolds numbers 16,300–63,300). A description of this technique is given, as well as data handling practices used to relate geometric information captured by CT to fluid flow data gathered via PEPT. It is found that the CT component is readily capable of capturing the stainless steel insert geometry in this present system, but the use of combined plastic and metal materials leads to artifacts in imaging of the plastic surface. Nonetheless, CT data are related to PEPT flow measurements, and average velocity fields are calculated via a pseudo-framing and interpolation scheme and used to visualize and interrogate key flow phenomena within the system. Radial velocity profiles of the mean flow characteristics are seen to collapse to a nearly common form across all flow conditions considered. Helical vortices are seen propagating through the flow field, generated by bypass flow around the gap between the insert and pipe wall, with additional coherent secondary flow structures seen in the higher Reynolds number cases. These findings enhance the understanding of the mixing mechanisms in these swirl flows and encourage the continued development of PEPT-CT methodologies for 3D flow measurements in optically inaccessible systems.

42 ENGINEERING↗
DOE OSTI2019

New voyages to explore the natural product galaxy

Abstract Natural products are a large family of diverse and complex chemical molecules that have roles in both primary and secondary metabolism, and over 210,000 natural products have been described. Secondary metabolite natural products are of high commercial and societal value with therapeutic uses as antibiotics, antifungals, antitumor and antiparasitic products and in agriculture as products for crop protection and animal health. There is a resurgence of activity in exploring natural products for a wide range of applications, due to not only increasing antibiotic resistance, but the advent of next-generation genome sequencing and new technologies to interrogate and investigate natural product biosynthesis. Genome mining has revealed a previously undiscovered richness of biosynthetic potential in novel biosynthetic gene clusters for natural products. Complementing these computational processes are new experimental platforms that are being developed and deployed to access new natural products.

Mouncey, Nigel J.↗
DOE OSTI2018

Rapid Detection of Tetrodotoxin Using Surface-Enhanced Raman Spectroscopy and Fe{sub 3}O{sub 4}/SiO{sub 2}/Au Gold/Magnetic Nanoparticles

Fe{sub 3}O{sub 4} nanoparticles were first modified with tetraethoxylsilane to form Fe{sub 3}O{sub 4}/SiO{sub 2} nanoparticles, followed by the addition of 3-aminopropyltriethoxysilane and 3-thiolpropyltriethoxysilane to introduce –NH{sub 2} and –SH groups to the surface of Fe{sub 3}O{sub 4}/SiO{sub 2} nanoparticles. Gold nanoparticles were further assembled on the surface of Fe{sub 3}O{sub 4}/SiO{sub 2} via the electrostatic adsorption of –NH{sub 2} and the Au–S bond to produce stable core–shell Fe{sub 3}O{sub 4}/SiO{sub 2}/Au gold/magnetic nanoparticles. These Fe{sub 3}O{sub 4}/SiO{sub 2}/Au gold/magnetic nanoparticles were characterized by a variety of techniques such as transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX), and afterwards conjugated with tetrodotoxin antibodies (Ab) and used as a Raman active substrate (Fe{sub 3}O{sub 4}/SiO{sub 2}/Au–Ab) with Rhodamine B (RhB)-labeled tetrodotoxin antibody as a Raman reporter (Ab–RhB). Upon mixing these reagents with tetrodotoxin (TTX), a sandwich complex [Fe{sub 3}O{sub 4}/SiO{sub 2}/Au–Ab···TTX···Ab–RhB] was generated due to the specific antibody–antigen interactions. The immunocomplex was subsequently separated by an externally applied magnetic source and concentrated into a pellet point, where the laser interrogation of the pellet produced a strong signal characteristic of RhB. The logarithmic intensity of the signal was found to be proportional to the concentration of TTX with a limit of detection of 0.01 μg/mL and a detection linearity range of ~ 0.01–0.5 μg/mL. The established method eliminates the complicated procedures of traditional centrifuging, column separation, and incubation and achieves a rapid detection of tetrodotoxin with improved detection sensitivity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Detecting rare, abnormally large grains by x-ray diffraction

Bimodal grain structures are common in many alloys, arising from a number of different causes including incomplete recrystallization and abnormal grain growth. These bimodal grain structures have important technological implications, such as the well-known Goss texture which is now a cornerstone for electrical steels. Yet our ability to detect bimodal grain distributions is largely confined to brute force cross-sectional metallography. The present study presents a new method for rapid detection of unusually large grains embedded in a sea of much finer grains. Traditional X-ray diffraction-based grain size measurement techniques such as Scherrer, Williamson–Hall, or Warren–Averbach rely on peak breadth and shape to extract information regarding the average crystallite size. However, these line broadening techniques are not well suited to identify a very small fraction of abnormally large grains. The present method utilizes statistically anomalous intensity spikes in the Bragg peak to identify regions where abnormally large grains are contributing to diffraction. This needle-in-a-haystack technique is demonstrated on a nanocrystalline Ni–Fe alloy which has undergone fatigue-induced abnormal grain growth. In this demonstration, the technique readily identifies a few large grains that occupy <0.00001 % of the interrogation volume. Finally, while the technique is demonstrated in the current study on nanocrystalline metal, it would likely apply to any bimodal polycrystal including ultrafine grained and fine microcrystalline materials with sufficiently distinct bimodal grain statistics.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Design Parameter Space for a High Pressure Optimized Dense Plasma Focus Operating with Deuterium

The potential of the Dense Plasma Focus (DPF) for industrial applications in many fields is well recognized, although yet to be realized in practice. Particularly attractive is the possibility of its use as inexpensive industrial source of nuclear reactions for diverse high value applications such as fast pulsed neutron radiography of hydrogenous materials, non-intrusive neutron interrogation of concealed organic contraband and rapid production of short lived radioisotopes for medical diagnostics and therapy. Recently, it has been suggested that it may be possible to operate the DPF efficiently in a High-Pressure-Optimized (HPO) mode. This paper explores the design parameter space for such HPO-DPF based on the revised Resistive Gratton-Vargas (RGV) model with a view to identify a practicable set of system parameters and their scaling. The current waveform predicted by the revised RGV model for the chosen set of parameters is fitted to the Lee model to estimate the likely neutron yield.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

A Novel RFID-Based Strain Sensor for Wireless Structural Health Monitoring

Conventional tools for deformation measurement are widely used for structural health monitoring—i.e. strain gauges and fiber optic sensors—due to their relative low cost and efficiency. However, these techniques still present some drawbacks particularly in limited access locations, since their usage requires some sort of cabling or battery-driven electronics. Thus, in a few situations there may be room for new technologies for deformation monitoring of structures. One of the options are passive radio frequency identification (RFID)-based sensors. In synthesis, like conventional methods, these sensors are attached to the surface a test-piece, but are then remotely interrogated and powered by a transmitter. The solidarity of the sensor to the underlying material means that the detected signal is modified in a way that can be correlated to sample strain in a given direction. This paper encompasses the project of a wireless deformation sensor based on an inverted-F antenna focusing on its miniaturization and performance optimization. For this purpose, such an antenna was designed with the help of finite element modelling tools for operation on a 2.0 mm-thick aluminium sheet, and then experimentally validated through static loading tests. Finally, even though sensors of this kind are still in early developments, results show that RFID sensors represents a promising method for remote deformation assessment in components.

42 ENGINEERING↗
DOE OSTI2011

Modeling the tagged-neutron UXO identification technique using the Geant4 toolkit

It is proposed to use 14 MeV neutrons tagged by the associated particle neutron time-of-flight technique (APnTOF) to identify the fillers of unexploded ordnances (UXO) by characterizing their carbon, nitrogen and oxygen contents. To facilitate the design and construction of a prototype system, a preliminary simulation model was developed, using the Geant4 toolkit. This work established the toolkit environment for (a) generating tagged neutrons, (b) their transport and interactions within a sample to induce emission and detection of characteristic gamma-rays, and (c) 2D and 3D-image reconstruction of the interrogated object using the neutron and gamma-ray time-of-flight information. Using the modeling, this article demonstrates the novelty of the tagged-neutron approach for extracting useful signals with high signal-to-background discrimination of an object-of-interest from that of its environment. Simulations indicated that an UXO filled with the RDX explosive, hexogen (C{sub 3}H{sub 6}O{sub 6}N{sub 6}), can be identified to a depth of 20 cm when buried in soil.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Identifying and quantifying short-lived fission products from thermal fission of HEU using portable HPGe detectors

Due to the emerging potential for trafficking of special nuclear material, research programs are investigating current capabilities of commercially available portable gamma ray detection systems. Presented in this paper are the results of three different portable high-purity germanium (HPGe) detectors used to identify short-lived fission products generated from thermal neutron interrogation of small samples of highly enriched uranium. Samples were irradiated at the Washington State University (WSU) Nuclear Radiation Center’s 1MW TRIGA reactor. The three portable, HPGe detectors used were the ORTEC MicroDetective, the ORTEC Detective, and the Canberra Falcon. Canberra’s GENIE-2000 software was used to analyze the spectral data collected from each detector. Ultimately, these three portable detectors were able to identify a large range of fission products showing potential for material discrimination.

detectors↗
DOE OSTI2015

TANDEM: a mutual cooperation effort for transactinide nuclear data evaluation and measurement

Here, the need for accurate nuclear reaction data of actinides is well documented and several initiatives from international organizations for improvement have been initiated in the past. This need, particularly in view of method development for non-destructive assay of nuclear waste, has generated a joint effort to use prompt and delayed neutron activation techniques to enhance nuclear capture data of some long lived actinides such as 237 Np, 242 Pu and 241 Am in the frame of a multilateral cooperation. This research initiative is targeted to lay grounds for the development of a non-destructive active neutron interrogation technique to quantify actinides in mixed waste and residues from decommissioning of nuclear installations for safe treatment and storage of such materials.

42 ENGINEERING↗
DOE OSTI2023

Nonlinear dynamics, bifurcations, and multi-stability in a vibro-impact system with geometric and multi-segmented freeplay nonlinearities

Freeplay is a common type of piecewise-smooth nonlinearity in dynamical systems, and it can cause discontinuity-induced bifurcations and other behaviors that may bring about undesirable and potentially damaging responses. Prior research has focused on piecewise-smooth systems with two or three distinct regions, but less attention is devoted to systems with more regions (i.e., multi-segmented systems). In this work, numerical analysis is performed on a dynamical system with multi-segmented freeplay, in which there are four stiffness transitions and five distinct regions in the phase space. Here, the effects of the multi-segmented parameters are studied through bifurcation diagram evolution along with induced multi-stable behavior and different bifurcations. These phenomena are interrogated through various tools, such as harmonic balance, basins of attraction, phase planes, and Poincaré section analysis. Results show that among the three multi-segmented parameters, the asymmetry has the strongest effect on the response of the system.

42 ENGINEERING↗
DOE OSTI2019

Design, optimization and critical analysis of graphene based surface plasmon resonance sensor for DNA hybridization

In this paper, the design, optimization and critical analysis of Surface Plasmon Resonance sensor is presented, which works on angular interrogation method. It comprises of five layers which are “Prism–Copper–Germanium–Graphene–Sensing medium”. The influence of the chemical potential (µ{sub c}) of graphene on the sensor performance has been studied in detail. Thickness of all the layers has been optimized. Remarkable results are achieved for the optimal thickness of copper and germanium layers as 50 nm and 6 nm respectively, while two layers of graphene having µ{sub c} of 0.5 eV are introduced to boost-up the performance. Best results in terms of detection accuracy, sensitivity and quality factor have been achieved that fulfill the necessary requirements for good sensing applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗