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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Effects of grain size and porosity on cladding failure in high-burnup UO 2 : A sensitivity and uncertainty study

Isotopic taggants are being studied to aid in the provenance assessment of nuclear materials. However, these taggants must be selected such that they do not adversely affect fuel performance during normal operation or accident scenarios. Taggants are known to affect the fuel’s grain size and porosity. In the work described in this paper, the BISON fuel performance code was used to assess the potential effects of taggants (i.e., grain size and porosity) on fuel rod behavior and cladding failure during a high-burnup, large-break loss-of-coolant accident. Here, 281 individual fuel rods from the same reactor core were modeled for a sensitivity study, a parametric study, and uncertainty quantification. The cladding failure predictions often exhibited stochastic behavior. After additional study, it was found that the cladding failure model is highly sensitive to residual error inherent to numerical approximation solvers. Some strategies to mitigate this sensitivity are discussed. The study found no relationship between known taggant effects and cladding failure status. However, taggants were found to affect the time and location of failure in certain rods. In conclusion, future work to continue investigating and validating these findings is briefly discussed.

Doped UO 2↗
DOE OSTI2023

Kernel-based global sensitivity analysis obtained from a single data set

Results from global sensitivity analysis (GSA) often guide the understanding of complicated input–output systems. Kernel-based GSA methods have recently been proposed for their capability of treating a broad scope of complex systems. In this paper, we develop a new set of kernel GSA tools when only a single set of input–output data is available. Three key advances are made: (1) A new numerical estimator is proposed that demonstrates an empirical improvement over previous procedures. (2) A computational method for generating inner statistical functions from a single data set is presented. (3) A theoretical extension is made to define conditional sensitivity indices, which reveal the degree that the inputs carry shared information about the output when inherent input–input correlations are present. Utilizing these conditional sensitivity indices, a decomposition is derived for the output uncertainty based on what is called the optimal learning sequence of the input variables, which remains consistent when correlations exist between the input variables. Further, while these advances cover a range of GSA subjects, a common single data set numerical solution is provided by a technique known as the conditional mean embedding of distributions. The new methodology is implemented on benchmark systems to demonstrate the provided insights.

42 ENGINEERING↗
DOE OSTI2021

An efficient method to identify uncertainties of WRF-Solar variables in forecasting solar irradiance using a tangent linear sensitivity analysis

Uncertainty in predicting solar energy resources introduces major challenges in power system management and necessitates the development of reliable probabilistic solar forecasts. As the first part of the development of probabilistic forecasts based on the Weather Research and Forecasting model with solar extensions (WRF-Solar), this study presents a tangent linear approach to identify input variables responsible for the largest uncertainties in predicting surface solar irradiance and clouds. A tangent linear analysis is capable of efficiently investigating sensitivities of output variables with respect to various input variables of WRF-Solar because this approach avoids the computational burden of perturbing the initial conditions of individual input variables. We develop tangent linear models (TLMs) for six WRF-Solar physics packages that control the formation and dissipation of clouds and solar radiation, and we evaluate the validity of TLMs using a linearity test. The tangent linear sensitivity analysis is conducted under various scenarios based on satellite observations and model simulations to consider realistic input conditions. A simple method is used to quantify the impact of the uncertainty of input variables on the output variables from the TLMs. The results demonstrate that uncertainties in the output variables that are the focus of this study—including global horizontal irradiance, direct normal irradiance, cloud mixing ratio, cloud tendency, cloud fraction, and sensible and latent heat fluxes—are highly sensitive to uncertainties in 14 input variables. This study indicates that the tangent linear method can identify key variables of physics modules in WRF-Solar that can be stochastically perturbed to generate ensemble-based probabilistic forecasts.

14 SOLAR ENERGY↗
DOE OSTI2017

Identification of a compound isolated from German chamomile (Matricaria chamomilla) with dermal sensitization potential

German chamomile is one of the most popular herbal ingredients used in cosmetics and personal care products. Allergic skin reactions following topical application of German chamomile have been occasionally reported, although it is not fully understood which of the chemical constituents is responsible for this adverse effect. In the present work, three candidate sensitizers were isolated from German chamomile based on activity-guided fractionation of chamomile extracts tested using the in vitro KeratinoSens™ assay. The compounds were identified as the polyacetylene tonghaosu (1), and both trans- and cis-glucomethoxycinnamic acids (2 and 3). These three compounds were classified as non- to weakly reactive using in chemico methods; however, aged tonghaosu was found to be more reactive when compared to freshly isolated tonghaosu. The polyacetylene (1) constituent was determined to be chemically unstable, generating a small electrophilic spirolactone, 1,6-dioxaspiro[4.4]non-3-en-2-one (4), upon aging. This small lactone (4) was strongly reactive in both in chemico HTS- and NMR-DCYA methods and further confirmed as a potential skin sensitizer by Local Lymph Node Assay (LLNA). - Highlights: • Fractions of German chamomile tested positive in the KeratinoSens™ assay. • Three compounds containing structural alerts were isolated and tested with in chemico methods. • The polyacetylene tonghaosu was found to be unstable and categorized as potential pre-hapten. • A degradation product of tonghaosu tested as positive dermal sensitizer in animal studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Controlling the Morphology of Dynamic Thia-Michael Networks to Target Pressure-Sensitive and Hot Melt Adhesives

A series of multistage (pressure-sensitive/hot melt) adhesives utilizing dynamic thia-Michael bonding motifs are reported. The benzalcyanoacetate Michael acceptors used in this work undergo bond exchange under ambient conditions without external catalysis, facilitating pressure-sensitive adhesion. A key feature of this system is the dynamic reaction-induced phase separation that lends reinforcement to the otherwise weakly bonded materials, enabling weak, repeatable pressure-sensitive adhesion under ambient conditions and strong adhesion when processed as a hot melt adhesive. Furthermore, by using different pairs of benzalcyanoacetate cross-linking units, the phase separation characteristics of the adhesives can be directly manipulated, allowing for a tailored adhesive response.

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

Growth and Post-Deposition Treatments of SrTiO 3 Films for Dye-Sensitized Photoelectrosynthesis Cell Applications

Sensitized SrTiO 3 films were observed as potential photoanodes for dye-sensitized photoelectrosynthesis cells (DSPECs). The SrTiO 3 films were grown via pulsed laser deposition (PLD) on a transparent conducting oxide (fluorine-doped tin oxide, FTO) substrate, annealed, and then loaded with zinc(II) 5,10,15-tris(mesityl)-20-[(dihydroxyphosphoryl)phenyl] porphyrin (MPZnP). When paired with a platinum wire counter electrode and an Ag/AgCl reference electrode these sensitized films exhibited photocurrent densities on the order of 350 nA/cm 2 under 0 V applied bias conditions versus a normal hydrogen electrode (NHE) and 75 mW/cm 2 illumination at a wavelength of 445 nm. The conditions of the post-deposition annealing step—namely, a high-temperature reducing atmosphere—proved to be the most vital growth parameters for increasing photocurrent in these electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Optimization of Photocatalyst Excited- and Ground-State Reduction Potentials for Dye-Sensitized HBr Splitting

Dye-sensitized bromide oxidation was investigated using a series of four ruthenium polypyridyl photocatalysts anchored to SnO 2 /TiO 2 core/shell mesoporous thin films through 2,2'-bipyridine-4,4'-diphosphonic acid anchoring groups. The ground- and excited-state reduction potentials were tuned over 500 mV by the introduction of electron withdrawing groups in the 4 and 4' positions of the ancillary bipyridine ligands. Upon light excitation of the surface-bound photocatalysts, excited-state electron injection yielded an oxidized photocatalyst that was regenerated through bromide oxidation. High injection quantum yields (Φ inj ) and regeneration quantum yields (Φ reg ) were essential to obtain efficient bromide oxidation yet required a photocatalyst that is both a potent photoreductant and a strong oxidant after excited-state injection. The four photocatalysts utilized in this manuscript ranged from unity Φ inj (1.0) and minimal Φ reg (0.037) to minimal Φ inj (0.09) and unity Φ reg (1.0). The photocatalyst that displayed the highest overall dye-sensitized photoelectrosynthesis cell performances exhibited near unity Φ reg (0.99), while a significant Φ inj was still preserved (0.59). Finally, these results highlighted the delicate interplay between the ground- and excited-state reduction potentials of photocatalysts for dye-sensitized hydrobromic acid splitting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Charge Recombination with Fractional Reaction Orders in Water-Splitting Dye-sensitized Photoelectrochemical Cells

In water-splitting dye-sensitized photoelectrochemical cells (WS-DSPECs), charge recombination competes with catalytic water oxidation to determine the overall efficiency of the system. The kinetics of these processes have been difficult to understand because transient absorbance (TA) experiments typically show nearly complete charge recombination on the sub-millisecond timescale; in contrast, electrochemical measurements such as open circuit photovoltage decay suggest a charge recombination timescale that is 2-3 orders of magnitude longer. Here we explore these processes with dye-sensitized nanocrystalline TiO 2 and TiO 2 /Ta 2 O 5 core-shell photoanodes in aqueous electrolytes using TA spectroscopy, intensity-modulated photovoltage spectroscopy (IMVS), and photoelectrochemical impedance spectroscopy (PEIS). The fast recombination rates measured by TA result from strong laser excitation that leads to high electron occupancy in TiO 2 , whereas IMVS modulates the concentration of charge-separated states near solar irradiance levels. The recombination processes measured by electrochemical methods such as IMVS, PEIS, and transient photovoltage are the discharging of injected electrons in TiO 2 , as evidenced by the close agreement betweeen the nearly first-order recombination rates probed by IMVS and the RC time constants derived from PEIS data. However, IMVS measurements at variable probe light intensity reveal that the reaction orders for the recombination of injected electrons with oxidized sensitizer molecules are far from unity. In conclusion, this kinetic analysis is relevant to understanding steady-state recombination rates in full WS-DSPECs in which molecular and nanoparticle catalysts are used to oxidize water.

14 SOLAR ENERGY↗
DOE OSTI2019

Soil Organic Matter Temperature Sensitivity Cannot be Directly Inferred From Spatial Gradients

Developing and testing decadal-scale predictions of soil response to climate change is difficult because there are few long-term warming experiments or other direct observations of temperature response. As a result, spatial variation in temperature is often used to characterize the influence of temperature on soil organic carbon (SOC) stocks under current and warmer temperatures. This approach assumes that the decadal-scale response of SOC to warming is similar to the relationship between temperature and SOC stocks across sites that are at quasi steady state; however, this assumption is poorly tested. We developed four variants of a Reaction-network-based model of soil organic matter and microbes using measured SOC stocks from a 4,000-km latitudinal transect. Each variant reflects different assumptions about the temperature sensitivities of microbial activity and mineral sorption. All four model variants predicted the same response of SOC to temperature at steady state, but different projections of transient warming responses. The relative importance of Q max , mean annual temperature, and net primary production, assessed using a machine-learning algorithm, changed depending on warming duration. When mineral sorption was temperature sensitive, the predicted average change in SOC after 100 years of 5 °C warming was –18% if warming decreased sorption or +9% if warming increased sorption. When microbial activity was temperature sensitive but mineral sorption was not, average site-level SOC loss was 5%. Here, we conclude that spatial climate gradients of SOC stocks are insufficient to constrain the transient response; measurements that distinguish process controls and/or observations from long-term warming experiments, especially mineral fractions, are needed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

How Asymmetries Between Arctic and Antarctic Climate Sensitivity Are Modified by the Ocean

Abstract We investigate how the ocean response to CO 2 forcing affects hemispheric asymmetries in polar climate sensitivity. Intermodel comparison of Phase 5 of the Coupled Model Intercomparison Project CO 2 quadrupling experiments shows that even in models where hemispheric ocean heat uptake differences are small, Arctic warming still exceeds Antarctic warming. The polar climate impact of this evolving ocean response to CO 2 forcing is then isolated using slab ocean experiments in a state‐of‐the‐art climate model. Overall, feedbacks over the Southern Hemisphere more effectively dissipate top‐of‐atmosphere anomalies than those over the Northern Hemisphere. Furthermore, a poleward shift in ocean heat convergence in both hemispheres amplifies destabilizing ice albedo and lapse rate feedbacks over the Arctic much more so than over the Antarctic. These results suggest that the Arctic is intrinsically more sensitive to both CO 2 and oceanic forcings than the Antarctic and that ocean‐driven climate sensitivity asymmetry arises from feedback destabilization over the Arctic rather than feedback stabilization over the Antarctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Large sensitivity enhancement in semiconducting organic field effect transistor sensors through incorporation of ultra-fine platinum nanoparticles

We report remarkable improvement in sensitivity of pentacene-based field effect transistor devices towards trace nitro-aromatic explosive vapors through the incorporation of high density, sub-2 nm platinum nanoparticles (NPs) within these structures. Exploiting the unique electronic properties of these NPs, we have demonstrated a detection limit of 56.6 parts per billion of 2,4-dinitrotoluene (DNT) vapor while control samples without any embedded NPs showed no observable sensitivity to DNT vapor. We attribute this remarkable enhancement in sensitivity to the ability of these NPs to function as discrete nodes, participating in the charge transfer with adsorbed nitro-aromatic molecules.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Fabrication of dye-sensitized solar cell (DSSC) using annato seeds (Bixa orellana Linn)

The Fabrication of dye sensitized solar cell (DSSC) using Annato seeds has been conducted in this study. Annato seeds (Bixa orellana Linn) used as a sensitizer for dye sensitized solar cell. The experimental parameter was concentration of natural dye. Annato seeds was extracted using etanol solution and the concentration was controlled by varying mass of Annato seeds. A semiconductor TiO{sub 2} was prepared by a screen printing method for coating glass use paste of TiO{sub 2}. Construction DSSC used layered systems (sandwich) consists of working electrode (TiO{sub 2} semiconductor-dye) and counter electrode (platina). Both are placed on conductive glass and electrolytes that occur electrons cycle. The characterization of thin layer of TiO{sub 2} was conducted using SEM (Scanning Electron Microscpy) analysis showed the surface morphology of TiO{sub 2} thin layer and the cross section of a thin layer of TiO{sub 2} with a thickness of 15–19 μm. Characterization of natural dye extract was determined using UV-Vis spectrometry analysis shows the wavelength range annato seeds is 328–515 nm, and the voltage (V{sub oc}) and electric current (I{sub sc}) resulted in keithley test for 30 gram, 40 gram, and 50 gram were 0,4000 V; 0,4251 V; 0,4502 V and 0,000074 A; 0,000458 A; 0,000857 A, respectively. The efficiencies of the fabricated solar cells using annato seeds as senstizer for each varying mass are 0,00799%, 0,01237%, and 0,05696%.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Bi-harmonic cantilever design for improved measurement sensitivity in tapping-mode atomic force microscopy

This paper presents a method and cantilever design for improving the mechanical measurement sensitivity in the atomic force microscopy (AFM) tapping mode. The method uses two harmonics in the drive signal to generate a bi-harmonic tapping trajectory. Mathematical analysis demonstrates that the wide-valley bi-harmonic tapping trajectory is as much as 70% more sensitive to changes in the sample topography than the standard single-harmonic trajectory typically used. Although standard AFM cantilevers can be driven in the bi-harmonic tapping trajectory, they require large forcing at the second harmonic. A design is presented for a bi-harmonic cantilever that has a second resonant mode at twice its first resonant mode, thereby capable of generating bi-harmonic trajectories with small forcing signals. Bi-harmonic cantilevers are fabricated by milling a small cantilever on the interior of a standard cantilever probe using a focused ion beam. Bi-harmonic drive signals are derived for standard cantilevers and bi-harmonic cantilevers. Experimental results demonstrate better than 30% improvement in measurement sensitivity using the bi-harmonic cantilever. Images obtained through bi-harmonic tapping exhibit improved sharpness and surface tracking, especially at high scan speeds and low force fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Synthesis of CdSe quantum dots for quantum dot sensitized solar cell

CdSe Quantum Dots (QDs) of size 0.85 nm were synthesized using chemical route. ZnO based Quantum Dot Sensitized Solar Cell (QDSSC) was fabricated using CdSe QDs as sensitizer. The Pre-synthesized QDs were found to be successfully adsorbed on front ZnO electrode and had potential to replace organic dyes in Dye Sensitized Solar Cells (DSSCs). The efficiency of QDSSC was obtained to be 2.06 % at AM 1.5.

14 SOLAR ENERGY↗
DOE OSTI2014

Velocity-space sensitivity of the time-of-flight neutron spectrometer at JET

The velocity-space sensitivities of fast-ion diagnostics are often described by so-called weight functions. Recently, we formulated weight functions showing the velocity-space sensitivity of the often dominant beam-target part of neutron energy spectra. These weight functions for neutron emission spectrometry (NES) are independent of the particular NES diagnostic. Here we apply these NES weight functions to the time-of-flight spectrometer TOFOR at JET. By taking the instrumental response function of TOFOR into account, we calculate time-of-flight NES weight functions that enable us to directly determine the velocity-space sensitivity of a given part of a measured time-of-flight spectrum from TOFOR.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Chemical crosslinking of acrylic acid to form biocompatible pH sensitive hydrogel reinforced with cellulose nanocrystals (CNC)

The purpose of this study is to produce a novel pH and temperature sensitive hydrogel, composed of poly(acrylic acid) (PAA) and cellulose nanocrystal (CNC). CNC was extracted from kenaf fiber through a series of alkali and bleaching treatments followed by acid hydrolysis. The PAA was then subjected to chemical cross-linking using the cross-linking agent (N,N-methylenebisacrylamide) with CNC entrapped in PAA matrix. The mixture was casted onto petri dish to obtain disc shape hydrogel. The effects of reaction conditions such as the ratio of PAA and CNC on the swelling behavior of the hydrogel obtained towards pH and temperature were studied. The obtained hydrogel was further subjected to different tests such swelling test for swelling behaviour at different pH and temperature along with scanning electron microscopy (SEM) for morphology analysis. The hydrogel obtained showed excellent pH sensitivity and obtained maximum swelling at pH 7. Besides that, hydrogel obtained showed significant increase in swelling ratio when temperature of swelling medium was increased from 25°C to 37°C. SEM micrograph showed that the pore size of the hydrogel decreases with increase of CNC content proving that the hydrogel structure became more rigid with addition of CNC. The PAA/CNC hydrogel with such excellent sensitivity towards pH and temperature can be developed further as drug carrier.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg{sup 2+} doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Tuned sensitivity towards H{sub 2}S and NH{sub 3} with Cu doped barium strontium titanate materials

The different amount of Cu-doped Barium Strontium Titanate (BST) thick film materials have been tested for their gas-sensing performances towards NH{sub 3} and H{sub 2}S under dry and 50% relative humidity (RH) background conditions. The optimum NH{sub 3} sensitivity was attained with 0.1mol% Cu-doped BST whereas the selective detection of H{sub 2}S was highlighted using 5mol% Cu-doped BST material. No cross-sensitivity effects to CO, NO{sub 2}, CH{sub 4} and SO{sub 2} were observed for all tested materials operated at their optimum temperature (200°C) under humid conditions (50% RH). The presence of humidity clearly enhances the gas sensitivity to NH{sub 3} and H{sub 2}S detection.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗