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At least 1,153 records · Page 64

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DOE OSTI2015

Fabrication of Carbon-Platinum Interdigitated Array Electrodes and Their Application for Investigating Homogeneous Hydrogen Evolution Catalysis

Interdigitated array electrodes (IDAEs) with one carbon electrode and the other platinum electrode were constructed by electrodepositing platinum on one set of the carbon electrodes. Platinum deposition was confirmed by scanning electron microscope (SEM) and cyclic voltammetry. The width of the carbon and platinum digits is less than 2 μm and the gap between two adjacent digits is around 3 μm. The carbon-platinum IDAEs benefit from the characteristics of both carbon and platinum in that carbon can provide a wide nonreactive potential window while platinum is a good catalyst for hydrogen reactions making it useful to characterize the catalytic hydrogen production cycle of the molecular electrocatalyst [Ni(P Ph 2 N Ph 2 ) 2 (CH 3 CN)](BF 4 ) 2 (where P Ph 2 N Ph 2 is 1,3,5,7-tetraphenyl-1,5-diaza-3,7-diphosphacyclooctane). With properly set potentials, the molecular electrocatalyst was reduced at the carbon digits to initiate a homogeneous H 2 production reaction while the platinum digits detect the H 2 by oxidation, providing direct evidence of its production rate from the catalytic cycles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Lithium Vanadium Oxide (Li 1.1 V 3 O 8 ) Coated with Amorphous Lithium Phosphorous Oxynitride (LiPON): Role of Material Morphology and Interfacial Structure on Resulting Electrochemistry

In the present work, lithium vanadium oxide (Li 1.1 V 3 O 8 ) particles synthesized at two different temperatures were coated with an amorphous lithium phosphorous oxynitride (LiPON) film for the first time, and the effects of the LiPON coating on the electrochemistry of the Li 1.1 V 3 O 8 materials with different morphologies were systematically investigated by comparing uncoated Li 1.1 V 3 O 8 and Li 1.1 V 3 O 8 coated with LiPON of various thicknesses. Galvanostatic discharge-charge cycling revealed increased functional capacity for the LiPON-coated materials. Post-cycling electrochemical impedance spectroscopy showed that LiPON-coated Li 1.1 V 3 O 8 materials developed less interfacial resistance with extended cycling, rationalized by vanadium migration into the LiPON coating seen by electron energy loss spectra. Post-mortem quantitative analysis of the anodes revealed more severe vanadium dissolution for the more irregularly shaped Li 1.1 V 3 O 8 materials with less LiPON coverage. Thus, this study highlights the specific benefits and limitations of LiPON coatings for stabilizing a moderate voltage Li 1.1 V 3 O 8 cathode material under extended cycling in liquid electrolyte, and describes a generally applicable approach for comprehensive characterization of a composite electroactive material which can be used to understand interfacial transport properties in other functional systems.

25 ENERGY STORAGE↗

DOE OSTI2019

Electrochemistry of the Arrow Poison, Tubocurarine, Using Boron Doped Diamond Electrode: Experimental and Theoretical Approaches

In present work boron doped diamond (BDD) electrode was applied for studying electrochemical behavior, as well as for quantitative determination of natural alkaloid, tubocurarine (arrow poison/ TUB). Electrochemical behavior was investigated using several organic solvents and aqueous buffers, at different pHs, as supporting electrolytes. After selection of the most appropriate supporting electrolyte and investigation of its electrochemical behavior, analytical procedures for quantitative analysis of TUB were developed in an acetonitrile/methanol (80:20) mixture and in 1 mol L−1 nitric acid, which had linear quantification ranges from 4 × 10−6 to 1 × 10−4 mol L−1 (LOD = 3.07 × 10−6 mol L−1) and 4 × 10−6 to 9 × 10−5 mol L−1 (LOD = 2.45 × 10−6 mol L−1 and 5.28 × 10−7 mol L−1, depending on the selected peak), respectively. The oxidation mechanism of TUB was proposed from the theoretical aspect. Remarkable selectivity and good sensitivity were obtained after the TUB quantification method was optimized, allowing application of the developed method for TUB quantification in biological fluids, with excellent reproducibility, accuracy and precision.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Inverse Slip Accompanying Twinning and Detwinning during Cyclic Loading of Magnesium Single Crystal

In situ , observation of twinning and detwinning in magnesium single crystals during tension-compression cyclic loading was made using optical microscopy. A quantitative analysis of plastic strain indicates that twinning and detwinning experience two stages, low and high work hardening de-twinning, and pure re-twinning and fresh twinning combined with retwinning. Slip is always activated. For the first time, inverse slip accompanying with pure retwinning and high work hardening detwinning was experimentally identified, which provides insights in better understanding of the activity of twining, detwinning, and slips.

Yu, Qin↗

DOE OSTI2017

Electron heating and energy inventory during asymmetric reconnection in a laboratory plasma

Electron heating and the energy inventory during asymmetric reconnection are studied in the laboratory plasma with a density ratio of about 8 across the current sheet. Features of asymmetric reconnection such as the large density gradients near the low-density-side separatrices, asymmetric in-plane electric field, and bipolar out-of-plane magnetic field are observed. Unlike the symmetric case, electrons are also heated near the low-density-side separatrices. The measured parallel electric field may explain the observed electron heating. Although large fluctuations driven by lower-hybrid drift instabilities are also observed near the low-density-side separatrices, laboratory measurements and numerical simulations reported here suggest that they do not play a major role in electron energization. The average electron temperature increase in the exhaust region is proportional to the incoming magnetic energy per an electron/ion pair but exceeds scalings of the previous space observations. This discrepancy is explained by differences in the boundary condition and system size. The profile of electron energy gain from the electric field shows that there is additional electron energy gain associated with the electron diamagnetic current besides a large energy gain near the X-line. This additional energy gain increases electron enthalpy, not the electron temperature. Finally, a quantitative analysis of the energy inventory during asymmetric reconnection is conducted. Unlike the symmetric case where the ion energy gain is about twice more than the electron energy gain, electrons and ions obtain a similar amount of energy during asymmetric reconnection.

Energy inventory↗

DOE OSTI2017

Suppression of Alfvén modes on NSTX-U with outboard beam injection

In this paper we present data from experiments on NSTX-U where it is shown for the first time that small amounts of high pitch-angle beam ions can strongly suppress the counter-propagating Global Alfvén Eigenmodes (GAE). GAE have been implicated in the redistribution of fast ions and modification of the electron power balance in previous experiments on NSTX. The ability to predict the stability of Alfvén modes, and developing methods to control them, is important for fusion reactor like the International Tokamak Experimental Reactor (ITER) which are heated by a large population of non-thermal, super-Alfvénic ions consisting of fusion generated alphas and beam ions injected for current profile control. We present a qualitative interpretation of these observations using an analytic model of the Doppler-shifted ion-cyclotron resonance drive responsible for GAE instability which has an important dependence on k⊥ρL. A quantitative analysis of this data with the HYM stability code predicts both the frequencies and instability of the GAE prior to, and suppression of the GAE after the injection of high pitch-angle beam ions.

Energetic particles↗

DOE OSTI2020

LIvermore SEM image Tools

Scanning Electron Microscopy (SEM) images provide a variety of structural and morphological information for the characterization of the nanomaterials. This code offers automatic recognition and quantitative analysis of SEM images in a high-throughput manner using computer vision and machine learning techniques. The main function of this application is to extract particle size and morphology information of overlapping nanoparticles and core-shell nanostructures in a user friendly interface. The code is written in C++ with QT environment, and has been tested on MacOSX.

KIM, HYOJIN↗

DOE OSTI2021

Automated CT registration, segmentation, and quantification (AutoCT) v1.0

Processing and analyzing brain imaging is crucial in both scientific development and clinical field. In this software package, we build a pipeline that integrates automatic registration, segmentation, and quantitative analysis for subjects' CT scans. Leveraging diffeomorphic transformations, we enable optimized forward and inverse mappings between an image and the reference. Furthermore, we extract localized features from deformation field based on an online template process, which advances statistical learning downstream. The created templates, atlas as well as our methods provide the brain imaging community tools for AI implementations.

Essiari, Abdelilah↗

DOE OSTI2021

Automated CT registration, segmentation, and quantification (AutoCT) v1.1

Processing and analyzing brain imaging is crucial in both scientific development and clinical field. In this software package, we build a pipeline that integrates automatic registration, segmentation, and quantitative analysis for subjects' CT scans. Leveraging diffeomorphic transofrmations, we enable optimized forward and inverse mappings between an image and the reference. Furthermore, we extract localized features from deformation field based on an online template process, which advances statistical learning downstream. The created templates, atlas as well as our methods provide the brain imaging community tools for AI implementations

Bai, Zhe↗

DOE OSTI2023

Influences of cloud vertical overlapping on the calculated cloud albedo and their validation with satellite observations

Cloud albedo is expected to influence cloud radiative forcing in addition to cloud fraction, and inadequate description of the cloud overlapping effects on the cloud fraction may influence the simulated cloud fraction, and thus the relative cloud radiative forcing (RCRF) and cloud albedo. In this study, we first present a new formula by extending that presented previously in Liu et al. (2011) to consider multilayer clouds directly in the relationship between cloud albedo, cloud fraction and RCRF, and then quantitatively evaluate the effects of different cloud vertical overlapping structures, represented by the decorrelation length scales (L cf ), on the simulated cloud albedos. We use the BCC_AGCM2.0_CUACE/Aero model with simultaneous validation by observations from the Clouds and the Earth's Radiation Energy System (CERES) satellite. When L cf < 4 km (i.e., the cloud overlap is closer to the random overlap), the simulated cloud albedos are generally in good agreement with the satellite-based albedos for December– February and June–August; when L cf ≥ 4 km (i.e., the cloud vertical overlap is closer to the maximum overlap), the difference between simulated and observed cloud albedos became larger, due mainly to significant differences in cloud fractions and RCRF. Further quantitative analysis shows that the relative Euclidean distance, which represents the degree of overall model–observation disagreement, increases with the L cf for all three variables (cloud albedo, cloud fraction and RCRF), indicating the importance of cloud vertical overlapping in determining the accuracy of the calculated cloud albedo for multilayer clouds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Analyzing the impact of modeling choices and assumptions in compartmental epidemiological models

In this study, computational models have become increasingly used as part of modeling, predicting, and understanding how infectious diseases spread within large populations. These models can be broadly classified into differential equation-based models (EBM) and agent-based models (ABM). Both types of models are central in aiding public health officials design intervention strategies in case of large epidemic outbreaks. We examine these models in the context of illuminating their hidden assumptions and the impact these may have on the model outcomes. Very few ABM/EBMs are evaluated for their suitability to address a particular public health concern, and drawing relevant conclusions about their suitability requires reliable and relevant information regarding the different modeling strategies and associated assumptions. Hence, there is a need to determine how the different modeling strategies, choices of various parameters, and the resolution of information for EBMs and ABMs affect outcomes, including predictions of disease spread. In this study, we present a quantitative analysis of how the selection of model types (i.e., EBM vs. ABM), the underlying assumptions that are enforced by model types to model the disease propagation process, and the choice of time advance (continuous vs. discrete) affect the overall outcomes of modeling disease spread. Our study reveals that the magnitude and velocity of the simulated epidemic depends critically on the selection of modeling principles, various assumptions of disease process, and the choice of time advance.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Realistic fuel spray modeling for gasoline direct injection engine applications

Fuel spray modeling plays a critical role during modern gasoline direct injection (GDI) engine development due to fuel injection’s dominant impact on engine performance and emissions as well as the complex physical processes involved. In engineering three-dimensional (3D) computational fluid dynamics (CFD) simulations, the liquid-phase fuel atomization, evaporation, and mixing are usually modeled with the discrete droplet model (DDM) adopting a Lagrangian approach for multiphase CFD simulations. To this end, general practices heavily depend on the reduced order characterization of the injector nozzle flow. However, such simplified injector modeling may lead to insufficient representations of the complex spray dynamics. To tackle this problem, this study proposes a novel workflow to numerically evaluate GDI sub-cooled and flash-boiling sprays under engine-relevant conditions using a side-mounted GDI injector together with real gasoline fuel properties. The workflow introduces a one-way coupling (OWC) method leveraging high-fidelity nozzle flow simulations to provide realistic boundary conditions to the Lagrangian injector model. The proposed workflow was first verified in a constant volume chamber (CVC) environment and then implemented in a practical GDI engine setup to study spray morphology, fuel-air mixing, and wall-wetting propensity. In addition, detailed comparison was performed between the OWC method and the conventional rate of injection (ROI) routine. In conclusion, quantitative analysis of spray characteristics was conducted to highlight possible source of discrepancies of the conventional ROI method.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Microscale thermophoresis as a powerful tool for screening glycosyltransferases involved in cell wall biosynthesis

Background: Identification and characterization of key enzymes associated with cell wall biosynthesis and modification is fundamental to gain insights into cell wall dynamics. However, it is a challenge that activity assays of glycosyltransferases are very low throughput and acceptor substrates are generally not available. Results: We optimized and validated microscale thermophoresis (MST) to achieve high throughput screening for glycosyltransferase substrates. MST is a powerful method for the quantitative analysis of protein-ligand interactions with low sample consumption. The technique is based on the motion of molecules along local temperature gradients, measured by fluorescence changes. We expressed glycosyltransferases as YFP-fusion proteins in tobacco and optimized the MST method to allow the determination of substrate binding affinity without purification of the target protein from the cell lysate. The application of this MST method to the β-1,4-galactosyltransferase AtGALS1 validated the capability to screen both nucleotide-sugar donor substrates and acceptor substrates. We also expanded the application to members of glycosyltransferase family GT61 in sorghum for substrate screening and function prediction. Conclusions: This method is rapid and sensitive to allow determination of both donor and acceptor substrates of glycosyltransferases. MST enables high throughput screening of glycosyltransferases for likely substrates, which will narrow down their in vivo function and help to select candidates for further studies. Additionally, this method gives insight into biochemical mechanism of glycosyltransferase function.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Increasing access to microfluidics for studying fungi and other branched biological structures

Background: Microfluidic systems are well-suited for studying mixed biological communities for improving industrial processes of fermentation, biofuel production, and pharmaceutical production. The results of which have the potential to resolve the underlying mechanisms of growth and transport in these complex branched living systems. Microfluidics provide controlled environments and improved optical access for real-time and high-resolution imaging studies that allow high-content and quantitative analyses. Studying growing branched structures and the dynamics of cellular interactions with both biotic and abiotic cues provides context for molecule production and genetic manipulations. To make progress in this arena, technical and logistical barriers must be overcome to more effectively deploy microfluidics in biological disciplines. A principle technical barrier is the process of assembling, sterilizing, and hydrating the microfluidic system; the lack of the necessary equipment for the preparatory process is a contributing factor to this barrier. To improve access to microfluidic systems, we present the development, characterization, and implementation of a microfluidics assembly and packaging process that builds on self-priming point-of-care principles to achieve “ready-to-use microfluidics.”Results: We present results from domestic and international collaborations using novel microfluidic architectures prepared with a unique packaging protocol. We implement this approach by focusing primarily on filamentous fungi; we also demonstrate the utility of this approach for collaborations on plants and neurons. In this work we (1) determine the shelf-life of ready-to-use microfluidics, (2) demonstrate biofilm-like colonization on fungi, (3) describe bacterial motility on fungal hyphae (fungal highway), (4) report material-dependent bacterial-fungal colonization, (5) demonstrate germination of vacuum-sealed Arabidopsis seeds in microfluidics stored for up to 2 weeks, and (6) observe bidirectional cytoplasmic streaming in fungi.Conclusions: This pre-packaging approach provides a simple, one step process to initiate microfluidics in any setting for fungal studies, bacteria-fungal interactions, and other biological inquiries. This process improves access to microfluidics for controlling biological microenvironments, and further enabling visual and quantitative analysis of fungal cultures.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Continuous surface-to-distributed acoustic sensor snapshots explain reactivation of individual natural fractures during an unconventional reservoir stimulation

ABSTRACT Fiber-optic sensing technologies allow petroleum engineering teams to detect hydraulic fracture interaction with boreholes during unconventional reservoir stimulation. In combination with high-repeatability seismic sources, the same distributed acoustic sensors (DASs) enable vertical seismic profiling (VSP) of the fracture evolution away from the boreholes. We discovered clear signatures of seismic scattering on activated fractures during nine days of continuous seismic monitoring of the fracturing stages at the Austin Chalk/Eagle Ford Field Laboratory. The present study applies a novel approach for quantitative analysis of the scattering events in terms of the evolution of the geometry and elastic stiffness of individual fractures. Our characterization strategy sequentially refines the fracture models: from a stack of 1D soft layers to 3D rectangular inclusions. First, we estimate the number of fracture locations and reflectivity using a modified sparse-spike deconvolution of the stacked VSP traces. The fracture set consists of five fractures spaced by 15–30 m with a reflectivity of approximately 1%. Then, we develop a scattering integral method to refine these estimates along with an inversion of the fracture top and bottom for each monitoring vintage. We find that, initially, some of the fractures are located above the monitoring fiber with the height of approximately 100 m. Then we integrate the seismic interpretation with the low-frequency DAS and pressure and microseismic monitoring to reconstruct the activation process of the fractures. Most likely, some of the natural fractures slowly grew downward to the monitoring fiber as a result of fluid injections in the stimulated well. This led to bright strain anomalies but did not trigger seismicity. The top of the fractures remained almost constant and were limited by a lithologic boundary/stress barrier. To our knowledge, this is the first time VSP data enabled tracking of the fracture evolution with such high spatial and temporal resolution, which was previously only available for crosswell surveys and at a much smaller scale.

Glubokovskikh, Stanislav↗

DOE OSTI2014

High-resolution tunnel fluctuoscopy

Electron tunneling spectroscopy pioneered by Esaki and Giaever offered a powerful tool for studying electronic spectra and density of states (DOS) in superconductors. This led to important discoveries that revealed, in particular, the pseudogap in the tunneling spectrum of superconductors above their critical temperatures. However, the phenomenological approach of Giaever and Megerle does not resolve the fine structure of low-bias behavior carrying significant information about electron scattering, interactions, and decoherence effects. Here we construct a complete microscopic theory of electron tunneling into a superconductor in the fluctuation regime. We reveal a non-trivial low-energy anomaly in tunneling conductivity due to Andreev-like reflections of injected electrons from superconducting fluctuations. Our findings enable real-time observation of fluctuating Cooper pairs dynamics by time-resolved scanning tunneling microscopy measurements and open new horizons for quantitative analysis of the fluctuation electronic spectra of superconductors.

Glatz, A.↗

DOE OSTI2015

First calibration measurements of an FTIR absorption spectroscopy system for liquid hydrogen isotopologues for the isotope separation system of fusion power plants

Fusion facilities like ITER and DEMO will circulate huge amounts of deuterium and tritium in their fuel cycle with an estimated throughput of kg per hour. One important capability of these fuel cycles is to separate the hydrogen isotopologues (H{sub 2}, D{sub 2}, T{sub 2}, HD, HT, DT). For this purpose the Isotope Separation System (ISS), using cryogenic distillation, as part of the Tritium Enrichment Test Assembly (TRENTA) is under development at Tritium Laboratory Karlsruhe. Fourier transform infrared absorption spectroscopy (FTIR) has been selected to prove its capability for online monitoring of the tritium concentration in the liquid phase at the bottom of the distillation column of the ISS. The actual research-development work is focusing on the calibration of such a system. Two major issues are the identification of appropriate absorption lines and their dependence on the isotopic concentrations and composition. For this purpose the Tritium Absorption IR spectroscopy experiment has been set up as an extension of TRENTA. For calibration a Raman spectroscopy system is used. First measurements, with equilibrated mixtures of H{sub 2}, D{sub 2} and HD demonstrate that FTIR can be used for quantitative analysis of liquid hydro-gen isotopologues and reveal a nonlinear dependence of the integrated absorbance from the D{sub 2} concentration in the second vibrational branch of D{sub 2} FTIR spectra. (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Parametric and Nonparametric Models of U.S. Cost Overruns for Nuclear Power Plants

This study presents new data-driven models to estimate the effect of capacity on the percentage of cost overruns in the United States for nuclear power plant construction projects before and after the Three Mile Island accident. Parametric and nonparametric models have been developed that describe the significant shifts in nuclear energy costs during the dynamic environment. Employing a contemporary descriptive methodology and a quantitative analysis, we furnish a comprehensive overview of the alterations in cost overrun distribution and show the changes observed in other pivotal metrics alongside cost overruns. Our emphasis lies in documenting the fluctuations in cost overruns alongside nuclear reactor capacity levels and the increase of the overnight capital costs to build nuclear reactors. Our results show that increasing the size of nuclear reactors is not a factor statistically significant to decrease the percentage of cost overruns, and the probit model results provide evidence that an increase in size increases the probability of having cost overruns larger than 100% (double the estimated cost). We also compare our findings to two other regions: Asia and Europe.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗