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At least 775 records · Page 43

Asymmetric Flexible MXene-Reduced Graphene Oxide Micro-Supercapacitor

Current microfabrication of micro–supercapacitors often involves multistep processing and delicate lithography protocols. In this study, simple fabrication of an asymmetric MXene–based micro–supercapacitor that is flexible, binder–free, and current–collector–free is reported. Here, the interdigitated device architecture is fabricated using a custom–made mask and a scalable spray coating technique onto a flexible, transparent substrate. The electrode materials are comprised of titanium carbide MXene (Ti 3 C 2 T x ) and reduced graphene oxide (rGO), which are both 2D layered materials that contribute to the fast ion diffusion in the interdigitated electrode architecture. This MXene–based asymmetric micro–supercapacitor operates at a 1 V voltage window, while retaining 97% of the initial capacitance after ten thousand cycles, and exhibits an energy density of 8.6 mW h cm –3 at a power density of 0.2 W cm –3 . Further, these micro–supercapacitors show a high level of flexibility during mechanical bending. Utilizing the ability of Ti 3 C 2 T x – MXene electrodes to operate at negative potentials in aqueous electrolytes, it is shown that using Ti 3 C 2 T x as a negative electrode and rGO as a positive one in asymmetric architectures is a promising strategy for increasing both energy and power densities of micro–supercapacitors.

36 MATERIALS SCIENCE↗

Performance Testing of Software Upgrade for SRNL CPC Instrument at the Nuclear Material Laboratory, Office of Safeguards Analytical Services, International Atomic Energy Agency

This report summarizes the performance testing for the Software upgrade for the Savannah River National Laboratory (SRNL) Controlled Potential Coulometry (CPC) instrument. This upgrade is specifically to meet the needs of the Nuclear Material Laboratory, Office of Safeguards Analytical Services, International Atomic Energy Agency at Seibersdorf, Austria. The instrument hardware was upgraded in 2010, but the software continued to operate on a Windows platform using a High Tech Basic (HT Basic) application. HT Basic usage is declining. The IAEA requested an upgrade to the existing coulometer software to Laboratory Virtual Instrument Engineering Workbench (LabVIEW), an object-oriented programming language in wide use and one the NML staff is familiar with. The software was developed by SRNL Software Engineer, with assistance from Electrical Engineer and Scientist. Once developed, the new LabVIEW software was validated, tested with Iron (surrogate for plutonium) and plutonium. Once testing was completed, the software was installed at the International Atomic Energy Agency Nuclear Material Laboratory (IAEA NML) coulometer, and SRNL provided hands on training to NML staff on using the new software.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

MO-FG-204-03: Using Edge-Preserving Algorithm for Significantly Improved Image-Domain Material Decomposition in Dual Energy CT

Purpose: To significantly improve dual energy CT (DECT) imaging by establishing a new theoretical framework of image-domain material decomposition with incorporation of edge-preserving techniques. Methods: The proposed algorithm, HYPR-NLM, combines the edge-preserving non-local mean filter (NLM) with the HYPR-LR (Local HighlY constrained backPRojection Reconstruction) framework. Image denoising using HYPR-LR framework depends on the noise level of the composite image which is the average of the different energy images. For DECT, the composite image is the average of high- and low-energy images. To further reduce noise, one may want to increase the window size of the filter of the HYPR-LR, leading resolution degradation. By incorporating the NLM filtering and the HYPR-LR framework, HYPR-NLM reduces the boost material decomposition noise using energy information redundancies as well as the non-local mean. We demonstrate the noise reduction and resolution preservation of the algorithm with both iodine concentration numerical phantom and clinical patient data by comparing the HYPR-NLM algorithm to the direct matrix inversion, HYPR-LR and iterative image-domain material decomposition (Iter-DECT). Results: The results show iterative material decomposition method reduces noise to the lowest level and provides improved DECT images. HYPR-NLM significantly reduces noise while preserving the accuracy of quantitative measurement and resolution. For the iodine concentration numerical phantom, the averaged noise levels are about 2.0, 0.7, 0.2 and 0.4 for direct inversion, HYPR-LR, Iter- DECT and HYPR-NLM, respectively. For the patient data, the noise levels of the water images are about 0.36, 0.16, 0.12 and 0.13 for direct inversion, HYPR-LR, Iter-DECT and HYPR-NLM, respectively. Difference images of both HYPR-LR and Iter-DECT show edge effect, while no significant edge effect is shown for HYPR-NLM, suggesting spatial resolution is well preserved for HYPR-NLM. Conclusion: HYPR-NLM provides an effective way to reduce the generic magnified image noise of dual–energy material decomposition while preserving resolution. This work is supported in part by NIH grants 7R01HL111141 and 1R01-EB016777. This work is also supported by the Natural Science Foundation of China (NSFC Grant No. 81201091), Fundamental Research Funds for the Central Universities in China, and Fund Project for Excellent Abroad Scholar Personnel in Science and Technology.

60 APPLIED LIFE SCIENCES↗

Structural transition and recovery of Ge implanted β -Ga 2 O 3

Ion implantation-induced effects were studied in Ge implanted β-Ga 2 O 3 with the fluence and energy of 3 × 10 13 cm -2 /60 keV, 5 × 10 13 cm -2 /100 keV, and 7 × 10 13 cm -2 /200 keV using analytical electron microscopy via scanning/transmission electron microscopy, electron energy loss spectroscopy, and precession electron diffraction via TopSpin. Imaging shows an isolated band of damage after Ge implantation, which extends ~130 nm from the sample surface and corresponds to the projected range of the ions. Electron diffraction demonstrates that the entirety of the damage band is the κ phase, indicating an implantation-induced phase transition from β to κ-Ga 2 O 3 . Post-implantation annealing at 1150 °C for 60 s under the O 2 atmosphere led to a back transformation of κ to β; however, an ~17 nm damage zone remained at the sample surface. Despite the back transformation from κ to β with annealing, O K-edge spectra show changes in the fine structure between the pristine, implanted, and implanted-annealed samples, and topspin strain analysis shows a change in strain between the two samples. These data indicate differences in the electronic/chemical structure, where the change of the oxygen environment extended beyond the implantation zone (~130 nm) due to the diffusion of Ge into the bulk material, which, in turn, causes a tensile strain of 0.5%. This work provides a foundation for understanding of the effects of ion implantation on defect/phase evolution in β-Ga 2 O 3 and the related recovery mechanism, opening a window toward building a reliable device for targeted applications.

36 MATERIALS SCIENCE↗

Glass and Glass-Ceramic Materials from Simulated Composition of Lunar and Martian Soils: Selected Properties and Potential Applications

In-situ resource processing and utilization on planetary bodies is an important and integral part of NASA's space exploration program. Within this scope and context, our general effort is primarily aimed at developing glass and glass-ceramic type materials using lunar and martian soils, and exploring various applications of these materials for planetary surface operations. Our preliminary work to date have demonstrated that glasses can be successfully prepared from melts of the simulated composition of both lunar and martian soils, and the melts have a viscosity-temperature window appropriate for drawing continuous glass fibers. The glasses are shown to have the potential for immobilizing certain types of nuclear wastes without deteriorating their chemical durability and thermal stability. This has a direct impact on successfully and economically disposing nuclear waste generated from a nuclear power plant on a planetary surface. In addition, these materials display characteristics that can be manipulated using appropriate processing protocols to develop glassy or glass-ceramic magnets. Also discussed in this presentation are other potential applications along with a few selected thermal, chemical, and structural properties as evaluated up to this time for these materials.

Ray, C. S.↗

Broadband Ultrafast Dynamics of Refractory Metals: TiN and ZrN

Transition metal nitrides have recently gained attention in the fields of plasmonics, plasmon-enhanced photocatalysis, photothermal applications, and nonlinear optics because of their suitable optical properties, refractory nature, and large laser damage thresholds. Here we report comparative studies of the transient response of films of titanium nitride (TiN), zirconium nitride (ZrN), and gold (Au) under femtosecond excitation. Broadband transient optical characterization helps to adjudicate earlier, somewhat inconsistent reports regarding hot electron lifetimes based upon single wavelength measurements. These pump–probe experiments show sub-picosecond transient dynamics only within the epsilon-near-zero window of the refractory metals. The dynamics are dominated by photoinduced interband transitions resulting from ultrafast electron energy redistribution. The enhanced reflection modulation in the epsilon-near-zero window makes it possible to observe the ultrafast optical response of these films at low pump fluences. These results indicate that electron–phonon coupling in TiN and ZrN is 25–100 times greater than in Au. Strong electron–phonon coupling drives the sub-picosecond optical response and facilitates greater lattice heating compared to Au, making TiN and ZrN promising for photothermal applications. The spectral response and dynamics of TiN and ZrN are only weakly sensitive to pump fluence and pump excitation energy. However, the magnitude of the response is much greater at higher pump photon energies and higher fluences, reaching peak observed values of 15% in TiN and 50% in ZrN in the epsilon-near-zero window.

36 MATERIALS SCIENCE↗

Negative differential resistance and effect of defects and deformations in MoS{sub 2} armchair nanoribbon metal-oxide-semiconductor field effect transistor

In this work, we present a study on the negative differential resistance (NDR) behavior and the impact of various deformations (like ripple, twist, wrap) and defects like vacancies and edge roughness on the electronic properties of short-channel MoS{sub 2} armchair nanoribbon MOSFETs. The effect of deformation (3°–7° twist or wrap and 0.3–0.7 Å ripple amplitude) and defects on a 10 nm MoS2 ANR FET is evaluated by the density functional tight binding theory and the non-equilibrium Green's function approach. We study the channel density of states, transmission spectra, and the I{sub D}–V{sub D} characteristics of such devices under the varying conditions, with focus on the NDR behavior. Our results show significant change in the NDR peak to valley ratio and the NDR window with such minor intrinsic deformations, especially with the ripple.

36 MATERIALS SCIENCE↗

Optimization of structural and growth parameters of metamorphic InGaAs photovoltaic converters grown by MOCVD

Metamorphic Ga{sub 0.76}In{sub 0.24}As heterostructures for photovoltaic converters are grown by the MOCVD (metal–organic chemical vapor deposition) technique. It is found that, due to the valence-band offset at the p-In{sub 0.24}Al{sub 0.76}As/p-In{sub 0.24}Ga{sub 0.76}As (wide-gap window/emitter) heterointerface, a potential barrier for holes arises as a result of a low carrier concentration in the wide-gap material. The use of an InAlGaAs solid solution with an Al content lower than 40% makes it possible to raise the hole concentration in the widegap window up ~9 × 10{sup 18} cm{sup –3} and completely remove the potential barrier, thereby reducing the series resistance of the device. The parameters of an GaInAs metamorphic buffer layer with a stepwise In content profile are calculated and its epitaxial growth conditions are optimized, which improves carrier collection from the n-GaInAs base region and provides a quantum efficiency of 83% at a wavelength of 1064 nm. Optimization of the metamorphic heterostructure of the photovoltaic converter results in that its conversion efficiency for laser light with a wavelength of 1064 nm is 38.5%.

36 MATERIALS SCIENCE↗

Active learning path-dependent properties using a cloud-based materials acceleration platform

Solid state materials are central to many modern technologies in which a given material may be exposed to a variety of environments. The material properties often vary with the sequence of environments in an irreversible manner, resulting in a quintessential path-dependency in experimental observables. While sequential learning techniques have been effectively deployed for accelerating learning of state properties of materials, they often use a consistent environment path in all experiments. To elevate such techniques for making optimal decisions in experimental investigations of path-dependent properties, we introduce an iterated expected information gain acquisition function that optimizes over entire experimental trajectories. This approach is implemented within a cloud-based Materials Acceleration Platform architecture utilizing an event-driven stateful broker coupled with remote HELAO (Hierarchical Experimental Laboratory Automation and Orchestration) instances and an AI science manager. The platform's efficacy was demonstrated through a case study optimizing multi-step spectro-electrochemical experiments to identify optically stable potential windows in (Co–Ni–Sb)O z metal oxides. The system successfully integrated AI-driven experiment design, remote laboratory automation, and cloud-based data infrastructure, validating the platform's capability for managing complex, adaptive, path-dependent workflows in materials discovery.

Guevarra, Dan [California Institute of Technology ↗

Cu-doped CdS and its application in CdTe thin film solar cell

Cu is widely used in the back contact formation of CdTe thin film solar cells. However, Cu is easily to diffuse from the back contact into the CdTe absorber layer and even to the cell junction interface CdS/CdTe. This phenomenon is generally believed to be the main factor affecting the CdTe solar cell stability. In this study Cu was intentionally doped in CdS thin film to study its effect on the microstructural, optical and electrical properties of the CdS material. Upon Cu doping, the V{sub Cd{sup −}} and the surface-state-related photoluminescence emissions were dramatically decreased/quenched. The presence of Cu atom hindered the recrystallization/coalescence of the nano-sized grains in the as-deposited CdS film during the air and the CdCl{sub 2} annealing. CdTe thin film solar cell fabricated with Cu-doped CdS window layers demonstrated much decreased fill factor, which was induced by the increased space-charge recombination near the p-n junction and the worsened junction crystalline quality. Temperature dependent current-voltage curve measurement indicated that the doped Cu in the CdS window layer was not stable at both room and higher temperatures.

36 MATERIALS SCIENCE↗

Fireworthiness of transport aircraft interior systems

The key materials question is addressed concerning the effect of interior systems on the survival of passengers and crew in the case of an uncontrolled transport aircraft fire. Technical opportunities are examined which are available through the modification of aircraft interior subsystem components, modifications that may reasonably be expected to provide improvements in aircraft fire safety. Subsystem components discussed are interior panels, seats, and windows. By virtue of their role in real fire situations and as indicated by the results of large scale simulation tests, these components appear to offer the most immediate and highest payoff possible by modifying interior materials of existing aircraft. These modifications have the potential of reducing the rate of fire growth, with a consequent reduction of heat, toxic gas, and smoke emission throughout the habitable interior of an aircraft, whatever the initial source of the fire.

Parker, J. A.↗

Roll-To-Roll Atomic Layer Deposition of Titania Nanocoating on Thermally Stabilizing Lithium Nickel Cobalt Manganese Oxide Cathodes for Lithium Ion Batteries

Conformal coating of ceramic layers (nm-thick) on Ni-rich layered cathode materials is an effective strategy for improving high-temperature longevity of Li-ion batteries (LIBs). In this work, we develop a roll-to-roll atomic layer deposition (R2R ALD) apparatus for growing uniform nanolayers of TiO 2 . We explore the effect of ALD parameters (temperature: 120–180 °C and line speed: 2–40 mm s –1 ) on the TiO 2 surface coating and subsequently investigate the electrochemical performance of the as-prepared cathodes. The capacity retention of TiO 2 -coated porous electrodes is substantially improved compared to that of the pristine cathode material for high-temperature cycling. Electrochemical impedance spectroscopy confirms that the ALD-TiO 2 coating suppresses the undesired side reactions initiated at the electrode/electrolyte interface, reduces charge transfer resistance, and ultimately facilitates the Li + transport through the composite cathode nanostructure. The robust design of the ALD-TiO 2 cathode material enables high-temperature operation (>55 °C) with enhanced specific capacity, superior rate capability, excellent cyclability, and ultra-high coulombic efficiency within a wide potential window (3.0–4.35 V). Furthermore, the R2R ALD technique developed in this work paves the way for large-scale fabrication of ceramic-coated cathode sheets with a production rate reaching 2.4 m min –1 for a continuous coating operation.

25 ENERGY STORAGE↗

Engineering Electronic Band Structure of Indium-doped Cd 1-x Mg x O Alloys for Solar Power Conversion Applications

CdO-based transparent conducting oxide thin films have great potential applications in many optoelectronic devices because of their high mobility, low resistivity, and high transparency over a wide spectral range. However, because of the low band gap of only 2.2 eV, the transparency of this material is limited in the UV spectral range. Alloying of undoped CdO with a larger band gap material such as MgO increases the band gap but tends to degrade electrical conductivity. Recently, it has been demonstrated that In doping of CdO greatly improves the electrical characteristic of this material by increasing both the carrier density and the mobility. In this work, we present a comprehensive study on CdMgO alloys doped with up to 4 % In. Here, we show that the doping with In extends the composition range of conducting films with a composition of up to 40% of Mg and a band gap of 3.5 eV. Our results could open up a new pathway to transparent conducive oxides that could be used as low-resistivity contacts and UV-transparent electrn emitter windows in thin-film photovoltaic technologies.

14 SOLAR ENERGY↗

Development of high damage threshold laser-machined apodizers and gain filters for laser applications

We have developed high damage threshold filters to modify the spatial profile of a high energy laser beam. The filters are formed by laser ablation of a transmissive window. The ablation sites constitute scattering centers which can be filtered in a subsequent spatial filter. Finally, by creating the filters in dielectric materials, we see an increased laser-induced damage threshold from previous filters created using ‘metal on glass’ lithography.

47 OTHER INSTRUMENTATION↗

Nanosecond Nd-YAG laser induced plasma emission characteristics in low pressure CO{sub 2} ambient gas for spectrochemical application on Mars

An experimental study is conducted on the possibility and viability of performing spectrochemical analysis of carbon and other elements in trace amount in Mars, in particular, the clean detection of C, which is indispensible for tracking the sign of life in Mars. For this study, a nanosecond Nd-YAG laser is employed to generate plasma emission from a pure copper target in CO{sub 2} ambient gas of reduced pressure simulating the atmospheric condition of Mars. It is shown that the same shock wave excitation mechanism also works this case while exhibiting remarkably long cooling stage. The highest Cu emission intensities induced by 4 mJ laser ablation energy is attained in 600 Pa CO{sub 2} ambient gas. Meanwhile the considerably weaker carbon emission from the CO{sub 2} gas appears relatively featureless over the entire range of pressure variation, posing a serious problem for sensitive trace analysis of C contained in a solid sample. Our time resolved intensity measurement nevertheless reveals earlier appearance of C emission from the CO{sub 2} gas with a limited duration from 50 ns to 400 ns after the laser irradiation, well before the initial appearance of the long lasting C emission from the solid target at about 1 μs, due to the different C-releasing processes from their different host materials. The unwanted C emission from the ambient gas can thus be eliminated from the detected spectrum by a proper time gated detection window. The excellent spectra of carbon, aluminum, calcium, sodium, hydrogen, and oxygen obtained from an agate sample are presented to further demonstrate and verify merit of this special time gated LIBS using CO{sub 2} ambient gas and suggesting its viability for broad ranging in-situ applications in Mars.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Physical Models for Accreting Pulsars at High Luminosity

A new window for better understanding the accretion onto strongly magnetized neutron stars in X-ray binaries is opening. In these systems the accreted material follows the magnetic field lines as it approaches the neutron star, forming accretion columns above the magnetic poles. The plasma falls toward the neutron star surface at near-relativistic speeds, losing energy by emitting X-rays. The X-ray spectral continua are commonly described using phenomenological models, i.e., power laws with different types of curved cut-offs at higher energies. Here we consider high luminosity pulsars. In these systems the mass transfer rate is high enough that the accreting plasma is thought to be decelerated in a radiation-dominated radiative shock in the accretion columns. While the theory of the emission from such shocks had already been developed by 2007, a model for direct comparison with X-ray continuum spectra in xspec or isis has only recently become available. Here we analyze the broadband X-ray spectra of the accreting pulsars Centaurus X-3 and 4U1626-67 obtained withNuSTAR. We present results from traditional empirical modeling as well as successfully apply the radiation-dominated radiative shock model. We also fit the energy-dependent pulse profiles of 4U 1626-67 using a new relativistic light bending model.

Pottschmidt, Katja↗