Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “attributes”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Construction of a cyber attack model for nuclear power plants - 115

The consideration of how a compromised digital component can impact neighboring components is critical to understanding the progression of cyber attacks. The degree of influence that one component may have on another depends on a variety of factors, including the sharing of resources such as network bandwidth or processing power, the level of trust between components, and the inclusion of segmentation devices such as firewalls. The interactions among components via mechanisms that are unique to the digital world are not usually considered in traditional probabilistic risk assessment (PRA). This means potential sequences of events that may occur during an attack may be missed if one were to only look at conventional accident sequences. This paper presents a method where, starting from the initial attack vector, the progression of a cyber attack can be modeled. The propagation of the attack is modeled by considering certain attributes of the digital components in the system. These attributes determine the potential vulnerability of a component to different classes of attack and the capability gained by the attackers once they are in control of the equipment. The use of attributes allows similar components (components with the same set of attributes) to be modeled in the same way, thereby reducing the computing resources required for analyzing large systems. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

A Data-Driven Framework for Predicting the Sorting and Screening Performance of an Integrated Biomass Feedstock Preprocessing System

The characteristics of mechanically sorted and screened lignocellulosic biomass, such as the mass contents of corn stover anatomical fractions (leaves, husks, stalks, cobs, etc.), can be used to calculate the intermediate feedstock quality attributes “yield” and “purity” that indicate the conversion efficiency of biocrude. No prior study has investigated the correlations from the characteristics of raw biomass and preprocessing unit operation parameters to those intermediate feedstock quality attributes. This work presents a data-driven framework for assessing and predicting the intermediate feedstock quality attributes in an integrated biomass feedstock preprocessing system. Our study used corn stover as a typical type of herbaceous biomass because of its abundance in the U.S. It began with data acquisition of moisture content, particle size distribution, and anatomical fractions of the materials after each unit operation in the system. The objective of this preprocessing system is to minimize husks and leaves and maximizing cobs and stalks by mechanically separating the materials into three streams via disc screen and air separator. Prototype neural network models were then developed to evaluate the feasibility of predicting process outcomes based on measurable parameters. It is found that incorporating physical constraints into these prediction models significantly enhances the accuracy of the predicted yield and purity against the ground truth data. The experimental data and model predictions indicate that decreasing throughput increases purity, while higher throughput results in lower purity. Finally, an optimization problem was introduced to search optimal combinations of feed material properties and preprocessing unit operation parameters, as the intermediate feedstock quality attributes – yield and purity, appeared to be competing factors. The study also suggests the continual need to improve the data-driven framework’s predictability by incorporating more accurate physical models to describe the dynamics in the preprocessing units such as the air separator.

09 - BIOMASS FUELS↗
DOE OSTI2019

Streamflow in the Columbia River Basin: Quantifying Changes Over the Period 1951-2008 and Determining the Drivers of Those Changes

Trend, detection, and attribution analyses were performed using naturalized streamflow observations and routed land surface model runoff for 10 subbasins in the Columbia River Basin during water years 1951–2008. The Energy Exascale Earth System land-surface model (ELM) version 1.0 and the Routing Application for Parallel computatIon of Discharge (RAPID) routing model were used to conduct semi-factorial simulations driven by multiple sets of bias-corrected forcing data sets. Four main potential drivers, including climate change (CLMT), CO 2 concentration (CO 2 ), nitrogen deposition (NDEP), and land use and land cover change (LULCC), were analyzed during the assessment. All subbasins showed significant (α = 0.10) declines in the observed amount of annual total streamflow, except for the Middle and Upper Snake and Upper Columbia Subbasins. These declines were led by significant decreases in June–October streamflow, which also directly led to significant decreases in peak and summer streamflow. Except for the Snake River Subbasins, LULCC had the same pattern of declines in monthly streamflow, but the period was shifted to May–September. NDEP also had significant trends in June–October; however, rather than decreases, the trends showed significant increases in streamflow. While there were significant trends in CO 2 , NDEP, and LULCC, their signals of change were weak in comparison to the signal in CLMT and the natural internal variability found in streamflow. Overall, the detection and attribution analysis showed that the historical changes found in annual total, center of timing of, and summer mean streamflow could be attributed to changing climate and variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Evidence of human influence on Northern Hemisphere snow loss

Documenting the rate, magnitude and causes of snow loss is essential to benchmark the pace of climate change and to manage the differential water security risks of snowpack declines. So far, however, observational uncertainties in snow mass have made the detection and attribution of human-forced snow losses elusive, undermining societal preparedness. Here we show that human-caused warming has caused declines in Northern Hemisphere-scale March snowpack over the 1981–2020 period. Using an ensemble of snowpack reconstructions, we identify robust snow trends in 82 out of 169 major Northern Hemisphere river basins, 31 of which we can confidently attribute to human influence. Most crucially, we show a generalizable and highly nonlinear temperature sensitivity of snowpack, in which snow becomes marginally more sensitive to one degree Celsius of warming as climatological winter temperatures exceed minus eight degrees Celsius. Such nonlinearity explains the lack of widespread snow loss so far and augurs much sharper declines and water security risks in the most populous basins. Together, our results emphasize that human-forced snow losses and their water consequences are attributable—even absent their clear detection in individual snow products—and will accelerate and homogenize with near-term warming, posing risks to water resources in the absence of substantial climate mitigation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Prototype for Unclassified Algorithm

Continuing previous efforts to investigate and develop the Unclassified Radioisotope Algorithm, the goal of the FY19-FY20 effort was to develop a prototype detector system which uses the algorithm to confirm warhead attributes related to the presence of either weapons grade plutonium (WGPu) or highly enriched uranium (HEU). The final deliverable is a prototype attribute measurement system built with common, commercially available gamma radiation detector components, capable of confirming the presence of specific, complex radioactive sources of interest, without the collection and storage of gamma energy spectra. This is accomplished by processing each gamma pulse as it is received, applying weight values based on the energy and incrementing or decrementing scalar counters which can be compared with expected values to determine if the measured source is consistent with WGPu or HEU. This report documents the design of the prototype system as well as the development of the algorithm and performance testing results. While the previously conceptualized, simple algorithm resulted in a prohibitive amount of false positives, the goal for a simple attribute measurement system capable of verifying Ba-133 and Ra-226 (weapons grade plutonium and highly enriched uranium surrogate testing sources) at over 95% accuracy with sub 5% false positive rate was demonstrated.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Decoupling Proton and Cation Contributions to Capacitive Charge Storage in Birnessite in Aqueous Electrolytes

Abstract Nanostructured birnessite is of interest as an electrode material for aqueous high power electrochemical energy storage as well as desalination devices. In neutral pH aqueous electrolytes, birnessite exhibits a capacitive response attributed to the adsorption of cations and protons at the outer surface and within the hydrated interlayer. Here, we utilize the understanding of proton‐coupled electron transfer (PCET) in buffered electrolytes to decouple the role of protons and cations in the capacitive charge storage mechanism of birnessite at neutral pH. We find that without buffer, birnessite exhibits primarily potential‐independent (capacitive) behavior with excellent cycling stability. Upon the addition of buffer, the capacity initially increases and the cyclic voltammograms become more potential‐dependent, features attributed to the presence of PCET with the birnessite. However, long‐term cycling in the buffered electrolyte leads to significant capacity fade and dissolution, which is corroborated through ex situ characterization. ReaxFF atomistic scale simulations support the observations that proton adsorption leads to birnessite degradation and that capacitive charge storage in birnessite is primarily attributed to cation adsorption at the outer surface and within the interlayer.

Saeed, Saeed↗
DOE OSTI2022

N and P constrain C in ecosystems under climate change: Role of nutrient redistribution, accumulation, and stoichiometry

Abstract We use the Multiple Element Limitation (MEL) model to examine responses of 12 ecosystems to elevated carbon dioxide (CO 2 ), warming, and 20% decreases or increases in precipitation. Ecosystems respond synergistically to elevated CO 2 , warming, and decreased precipitation combined because higher water‐use efficiency with elevated CO 2 and higher fertility with warming compensate for responses to drought. Response to elevated CO 2 , warming, and increased precipitation combined is additive. We analyze changes in ecosystem carbon (C) based on four nitrogen (N) and four phosphorus (P) attribution factors: (1) changes in total ecosystem N and P, (2) changes in N and P distribution between vegetation and soil, (3) changes in vegetation C:N and C:P ratios, and (4) changes in soil C:N and C:P ratios. In the combined CO 2 and climate change simulations, all ecosystems gain C. The contributions of these four attribution factors to changes in ecosystem C storage varies among ecosystems because of differences in the initial distributions of N and P between vegetation and soil and the openness of the ecosystem N and P cycles. The net transfer of N and P from soil to vegetation dominates the C response of forests. For tundra and grasslands, the C gain is also associated with increased soil C:N and C:P. In ecosystems with symbiotic N fixation, C gains resulted from N accumulation. Because of differences in N versus P cycle openness and the distribution of organic matter between vegetation and soil, changes in the N and P attribution factors do not always parallel one another. Differences among ecosystems in C‐nutrient interactions and the amount of woody biomass interact to shape ecosystem C sequestration under simulated global change. We suggest that future studies quantify the openness of the N and P cycles and changes in the distribution of C, N, and P among ecosystem components, which currently limit understanding of nutrient effects on C sequestration and responses to elevated CO 2 and climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Mechanical Properties and Wear Behavior of AA5182/WC Nanocomposite Fabricated by Friction Stir Welding at Different Tool Traverse Speeds

Grain growth inhibition at the heat-affected zone, improved weld strength and superior tribological properties of welds are desirable attributes of modern manufacturing. With the focused on these attributes, tungsten carbide (WC) nanoparticles were employed as reinforcements for the friction stir welding of 5-mm-thick AA5182 aluminum alloy by varying tool traverse speeds. The microstructure, microhardness, ultimate tensile strength, fracture and wear behavior of the resultant WC-reinforced welds were investigated, while unreinforced AA5182 welds were employed as controls for the study. The result shows that the addition of WC nanoparticles causes substantial grain refinement within the weld nugget. A decrease in traverse speed caused additional particle fragmentation, improved hardness value and enhanced weld strength in the reinforced welds. Improved wear rate and friction coefficient of welds were attained at a reduced traverse speed of 100 mm/min in the WC-reinforced welds. This improvement is attributed to the effects of reduced grain size/grain fragmentation and homogeneous dispersion of WC nanoparticles within the WC-reinforced weld nugget.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fracture Analysis of ARB-Processed CP-Ti Sheets Under Unidirectional Tensile Loading

The fracture behavior of commercially pure titanium (CP-Ti) processed by accumulative roll bonding (ARB) was investigated in this study. Monolithic and Ti-SiC composite samples were first produced by ARB process and then subjected to uniaxial tensile testing at room temperature. Two different ductile fracture mechanisms including shear dimple rupture and equiaxed dimple rupture were observed in the initial and final ARB cycles, respectively. The difference in the rupture mechanism was attributed to different stress states at the crack tip and different densities of metallurgical defects. A non-uniform distribution of dimple size was obtained for fracture surfaces of the samples processed by a low number of ARB cycles. This was attributed to the heterogeneity of microstructure in the primary ARB cycles. The fracture surface of the samples processed by high ARB cycles represented more uniform dimples. This was attributed to more homogenous microstructure in the final cycles. Moreover, SiC particles showed a major role in fracture of samples, so that they affected the size and depth of the dimples, as well as the number of ARB cycles in which the transmission of the fracture mechanism occurred.

36 MATERIALS SCIENCE↗
DOE OSTI2018

TOPSIS with similarity measure for MADM applied to network selection

In this article, a new method is introduced to handle fuzzy multi-attribute decision-making problems. The method preserves fuzziness in the preference technique to avoid the drawbacks of defuzzification. The study modifies the technique of order preference by similarity to an ideal solution (TOPSIS) for interval-valued fuzzy numbers. The traditional TOPSIS uses the relative degree of closeness to rank the alternatives. Instead, a similarity measure based on map distance is used for preference. The degree of similarity between each attribute of an alternative and the ideal solution is computed, and a similarity matrix is formed. Then, the total degree of similarity for all the attributes of an alternative is used for ranking. The alternative corresponding to the one norm of the similarity matrix is the best alternative. Thus, the comparison is done on a fuzzy basis to avoid the loss of information due to converting the elements of the weighted normalized decision matrix to crisp values by defuzzification. An illustrative example is given to demonstrate the approach. A practical example in network selection to optimize vertical hand offs is solved where both user preferences and network parameters are treated as interval-valued fuzzy numbers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Hydroxyl radical generation by dissociation of water molecules during 1.65 MHz frequency ultrasound irradiation under aerobic conditions

The dissociation of water molecules by ultrasound irradiation under aerobic conditions was demonstrated experimentally. To be able to detect the dissociation of water molecules, we performed the ultrasound irradiation of {sup 17}O-labelled water (H{sub 2}{sup 17}O) under aerobic conditions. The hydroxyl and hydrogen radicals generated during the ultrasound irradiation process were trapped with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), and electron spin resonance (ESR) spectroscopy was performed on the DMPO spin adducts. In the ESR spectrum, a 15-line signal attributable to the trapping of the hydroxyl radicals containing {sup 17}O ({sup 17}OH radicals) by DMPO together with a 4-line signal attributable to the trapping of the hydroxyl radicals containing {sup 16}O ({sup 16}OH radicals) by DMPO were observed. The generation of {sup 17}OH radicals indicated that H{sub 2}{sup 17}O was dissociated by the sonolysis process under aerobic conditions. On the other hand, the ESR signal attributable to the trapping of hydrogen radicals by DMPO was not observed, suggesting that hydrogen radicals were not generated during the dissociation of water molecules. - Highlights: • OH radicals was observed in air-saturated water under 1.65 MHz ultrasound. • The OH radicals were originated from both H{sub 2}O and O{sub 2.} • The H{sub 2}O sonolysis was detected by using {sup 17}O-labelled water.

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

DNA Methylation Detection Using Resonance and Nanobowtie-Antenna-Enhanced Raman Spectroscopy

In this paper, we show that DNA carrying 5-methylcytosine modifications or methylated DNA (m-DNA) can be distinguished from DNA with unmodified cytosine by Raman spectroscopy enhanced by both a bowtie nanoantenna and excitation resonance. In particular, m-DNA can be identified by a peak near 1000 cm -1 and changes in the Raman peaks in the 1200–1700 cm -1 band that are enhanced by the ring-absorption resonance. The identification is robust to the use of resonance Raman and nanoantenna excitation used to obtain significant signal improvement. The primary differences are three additional Raman peaks with methylation at 1014, 1239, and 1639 cm -1 and spectral intensity inversion at 1324 (C 5 =C 6 ) and 1473 cm -1 (C 4 =N 3 ) in m-DNA compared to that of DNA with unmodified cytosine. We attribute this to the proximity of the methyl group to the antenna, which brings the (C 5 =C 6 ) mode closer to experiencing a stronger near-field enhancement. We also show distinct Raman spectral features attributed to the transition of DNA from a hydrated state, when dissolved, to a dried/denatured state. We observe a general broadening of the larger lines and a transfer of spectral weight from the ~1470 cm -1 vibration to the two higher-energy lines of the dried m-DNA solution. We attribute the new spectral characteristics to DNA softening under high salt conditions and find that the m-DNA is still distinguishable via the ~1000 cm -1 peak and distribution of the signal in the 1200–1700 cm -1 band. The nanoantenna gain exceeds 20,000, whereas the real signal ratio is much less because of a low average enhanced region occupancy even with these relatively high DNA concentrations. It is improved when fixed DNA in a salt crystal lies near the nanoantenna. Finally, the Raman resonance gain profile is consistent with A-term expectations, and the resonance is found at ~259 nm excitation wavelength.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Health impacts quantification of ambient air pollutants using AirQ model approach in Hamadan, Iran

Highlights: • AirQ model was used to evaluate health impacts of criteria air pollutants on the citizens of Hamadan. • Attributable proportion was estimated for cardiovascular and respiratory mortality. • Cardiovascular mortality has more contribution in total death number. • We provide for first time mortality data of Hamadan people relating to air pollution. • Negative linear correlations were observed between PM, including PM{sub 10}, PM{sub 2.5}, and wind speed. Iranian western cities, including Hamadan, have been experiencing Middle East Dust Storms (MEDS) phenomenon problems in recent years, so the air quality is getting worse every year in these cities. The aim of this study was to evaluate the human health impacts of criteria air pollutants including PM{sub 10}, PM{sub 2.5}, NO{sub 2}, SO{sub 2}, CO and O{sub 3} on the citizens of Hamadan using AirQ model software 2.2.3. Considering the determined baseline incidence (BI) and relative risk (RR) rate, the attributable proportion (AP) of deaths due to cardiovascular and respiratory mortality attributed to PM{sub 2.5}, PM{sub 10}, O{sub 3}, NO{sub 2}, and CO pollutants was estimated to be 4.42%, 3.37%, 1.75%, 1.74% and 0.92% (95% CI) of the total mortality and the excess death cases were respectively estimated to be 131.9, 100.4, 52.1, 51.9 and 27.3 persons. In addition, cardiovascular mortality brings more contribution than respiratory mortality in total death number. The results of our study also showed that PM{sub 2.5} poses the greatest health effects on the citizens. Analyzing the average seasonal concentrations of studied pollutants (PM{sub 10}, PM{sub 2.5}, and NO{sub 2}) and the mean seasonal temperature values revealed a positive linear correlation. Significant negative correlations were observed between the studied pollutants (PM{sub 10}, PM{sub 2.5} and NO{sub 2}) and relative humidity, and between PM and wind speed. This study, therefore, provides additional data in decision-makings for the development of strategies for reduction of ambient air pollution which will result in improvements of air quality.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Pro5 is not essential for the formation of ‘Ni-hook’ in nickel superoxide dismutase

The N-terminus of nickel-dependent superoxide dismutase (NiSOD) forms a structural motif known as the "Ni-hook," where the peptide wraps around the metal to bring cysteine-2 and cysteine-6 into spatial proximity, allowing these residues to coordinate in a cis-geometry. A highly conserved proline-5 residue in the Ni-hook adopts a cis-conformation that is widely considered important for its formation. Herein, we investigate this role by point mutation of Pro5 to alanine. The results obtained show that the variant exhibits wild-type-like redox catalysis and features a Ni(III) center very similar to that found in enzyme. Structural analysis using x-ray absorption spectroscopy of the nickel sites in as-isolated P5A-NiSOD reveals changes in the variant and are consistent with a six-coordinate Ni site with (N/O) 4 S 2 coordination. These changes are attributed to changes in the Ni(II) site structure. Nickel-binding studies using isothermal titration calorimetry reveal two binding events with K d = 25(20) nM, and 250(60) nM. These events are attributed to i) Ni(II) binding to a preformed Ni-hook containing cis-Pro5 and ii) the combination of trans- to cis- isomerization upon Ni(II) binding, respectively. Finally, the higher-affinity binding event is absent in P5A-NiSOD, an observation attributed to the low abundance of the cis-Ala5 isomer in the apo-protein.

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

Effects of Sr, Ce and P on the microstructure and mechanical properties of rapidly solidified Al7Si alloys

Highlights: • Rapid solidification caused formation of nanoscaled Si particle chains. • Sr or Ce induced the columnar transition zone only at extremely high cooling rate. • Enhancement of hardness is attributed to fine dispersion of eutectic Si, grain refinement and the supersaturation of Si. • Sr or Ce caused further enhancement of hardness, attributing to Si modification. - Abstract: A series of Al7Si based alloys with trace addition of Sr, Ce or P were prepared using melt-spinning at two different high cooling rates, and the microstructure as well as the hardness of the ribbons was comprehensively studied. The results show that Sr or Ce induces the formation of columnar transition zone and modifies the morphology of eutectic Si phase from dispersed particle chains to fine fibers only at extremely high cooling rate. However, P has little effect on the microstructure of either α-Al or eutectic Si. Compared with conventional casting, the Al7Si ribbons exhibit extremely high hardness due to the fine dispersion of eutectic Si, the grain refinement and the supersaturation of Si. The hardness is further enhanced by Sr or Ce addition at extremely high cooling rate, especially for columnar and equiaxed zones, attributing to the modification effect on Si phase.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Novel synthesis of Zr{sub x}Ti{sub 1-x}O{sub n} mixed oxides using titanyl sulphate and pressurized hot and supercritical fluids, and their photocatalytic comparison with sol-gel prepared equivalents

Highlights: • Novel preparation of Zr{sub x}Ti{sub 1-x}O{sub n} mixed oxides by using titanyl sulphate and pressurized hot water and supercritical methanol. • Comparison of photoactivity of prepared mixed oxides with sol-gel-prepared equivalents in Acid orange 7 photodegradation. • The highest photoactivity of TiO{sub 2}-H is attributed to small anatase crystallite-size. • The highest photoactivity of Zr{sub 0.1}Ti{sub 0.9}O{sub n}-G is attributed to the existence of anatase-brookite phase mixture and small anatase crystallite-size. • The optimum Zr loading in TiO{sub 2} is below 10·mol%. - Abstract: Zr{sub x}Ti{sub 1-x}O{sub n} mixed oxides with five various molar ratios of Zr:Ti and their parent oxides were prepared, combining thermal hydrolysis (H) with pressurized hot water crystallization and supercritical methanol drying. Their photoactivity was compared to equivalent materials prepared by sol-gel (G) method. Zr{sub 0.1}Ti{sub 0.9}O{sub n}-G was the most photoactive mixed oxide, which showed significantly higher photoactivity than Zr{sub 0.1}Ti{sub 0.9}O{sub n}-H. Higher photoactivity of Zr{sub 0.1}Ti{sub 0.9}O{sub n}-G can be attributed to phase composition (anatase-brookite phase mixture) and smaller TiO{sub 2} anatase crystallite-size. The Zr dopation in TiO{sub 2} did not improve the photoactivity neither of sol-gel-synthetized, nor thermal hydrolysis-synthetized mixed oxides in AO7 photodegradation. Zr in higher loadings (>10 mol%) formed separate monoclinic and tetragonal ZrO{sub 2} and monoclinic zirconium titanates{sub .} Unlike Zr{sup 4+} ions in Zr doped TiO{sub 2} the separate monoclinic and tetragonal ZrO{sub 2} and monoclinic zirconium titanates did not serve as electron trapping centres but as electron-hole recombination centres. The Zr loading in TiO{sub 2} should be below 10 mol%.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hybrid polymer films based ZnS nanocomposites and its optical and morphological properties: Monitoring the role of the binding-site interaction

Highlights: • ZnS NPs were formed with adequate quantum confinement, leading to a blue shift. • The hybrid polymer films exhibited different optical behavior, which was attributed to the greater size of NPs. • The emission bands for the hybrid polymer films exhibited slight blue-shifts. • A slightly quenched emission band was observed after varying the length of the hydrophilic block. • AFM images also show changes in morphology, which may be attributed mainly to the hydrophilic domain. - Abstract: A series of hybrid polymer films were prepared using self-assembly block copolymers as nanoreactor of ZnS nanoparticles (NPs). The self-assembled poly(acrylic acid)-block-poly(N-phenylmaleimide) was prepared by Atom-Transfer Radical Polymerization (ATRP) in different block composition. Subsequently the fluorescent NPs were synthesized into the polymer matrices in order to modify its optical and thermal properties and to analyze its effect on the morphology properties (roughness and porosity). As results, significant effects on the properties of the hybrid materials were obtained under different percentages of the NPs. These materials exhibited blue- or red-shift emission bands depending on the length of hydrophilic domain. Additionally, a quenched emission band is seen, which may also be attributed primarily to the composition of the hydrophilic domain and to the greater percentage of ZnS NPs. The hybrid polymer films showed effects on the porosity and roughness of the surfaces, which was analyzed by AFM and SEM microscopic techniques.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Realization of strong violet and blue emissions from ZnO thin films by incorporation of Cu ions

Highlights: • A strong blue-violet co-emission occurs after Cu ions are doped into ZnO thin films.. • The violet emission centered at 430 nm is attributed to transitions of electrons from conduction band to Cu{sup +} acceptor levels. • The blue emission centered at 470 nm is attributed to transitions of electrons from Cu{sup 2+} donor levels to Cu{sup +} acceptor levels. • Both the violet and blue emissions decrease when Cu-doping concentration is higher than 2 at.%. - Abstract: In recent years, Cu-doped ZnO materials have attracted wide attention due to some unique properties, such as p-type conduction, room-temperature ferromagnetism and plentiful luminescence behavior. In this work, Cu-doped ZnO thin films with different doping levels were prepared by sol–gel method. The structural, morphological features and the composition of the samples were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectroscopy (EDX), respectively. The optical properties were analyzed by the UV–visible transmittance spectra and fluorescence spectra. The Cu-doping in a low concentration does not influence the crystal phase of wurtzite ZnO and has a very small impact on c-axis preferred orientation of ZnO thin films. With the increase of Cu-doping concentration, the Cu ions are gradually changed from dominant Cu{sup +} ions to dominant Cu{sup 2+} ions. Cu-doping in a low concentration caused strong blue-violet emissions in ZnO thin films. The violet emission is attributed to the transition of electrons from the conduction band to Cu{sup +} acceptor levels, and the blue emission is ascribed to the transition of electrons from Cu{sup 2+} donor levels to Cu{sup +} acceptor levels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗