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DOE OSTI2023

Tuning In-Plane Magnetic Anisotropy and Interfacial Exchange Coupling in Epitaxial La 2/3 Sr 1/3 CoO 3 /La 2/3 Sr 1/3 MnO 3 Heterostructures

Controlling the in-plane magnetocrystalline anisotropy and interfacial exchange coupling between ferromagnetic (FM) layers plays a key role in next-generation spintronic and magnetic memory devices. In this work, we explored the effect of tuning the magnetocrystalline anisotropy of La 2/3 Sr 1/3 CoO 3 (LSCO) and La 2/3 Sr 1/3 MnO 3 (LSMO) layers and the corresponding effect on interfacial exchange coupling by adjusting the thickness of the LSCO layer (t LSCO ). The epitaxial LSCO/LSMO bilayers were grown on (110) o -oriented NdGaO 3 (NGO) substrates with a fixed LSMO (top layer) thickness of 6 nm and LSCO (bottom layer) thicknesses varying from 1 to 10 nm. Despite the small difference (~0.2%) in lattice mismatch between the two in-plane directions, [001] o and [11̅0] o , a pronounced in-plane magnetic anisotropy was observed. Soft X-ray magnetic circular dichroism hysteresis loops revealed that for t LSCO ≤ 4 nm, the easy axes for both LSCO and LSMO layers were along the [001] o direction, and the LSCO layer was characterized by magnetically active Co 2+ ions that strongly coupled to the LSMO layer. No exchange bias effect was observed in the hysteresis loops. In contrast, along the [11̅0] o direction, the LSCO and LSMO layers displayed a small difference in their coercivity values, and a small exchange bias shift was observed. As t LSCO increased above 4 nm, the easy axis for the LSCO layer remained along the [100] o direction, but it gradually rotated to the [11̅0] o direction for the LSMO layer, resulting in a large negative exchange bias shift. Therefore, we provide a way to control the magnetocrystalline anisotropy and exchange bias by tuning the interfacial exchange coupling between the two FM layers.

36 MATERIALS SCIENCE↗

DOE OSTI2015

SU-E-T-265: Development of Dose-To-Water Conversion Models for Pre-Treatment Verification with the New AS1200 Imager

Purpose: To develop and evaluate models for dose verification of flattened (FF) and flattening filter free (FFF) beams for the new Varian aS1200 backscatter-shielded electronic portal imaging device (EPID). Methods: The model converts EPID images to incident energy fluence using deconvolution of EPID scatter kernels and fluence to dose in water using convolution with dose-to-water kernels. Model parameters were optimized using non-transmission EPID images of varying jaw defined field sizes for energies of 6 and 10 MV FF and FFF beams. Energy fluence was obtained from the Acuros planning system and reference dose profiles and output factors were measured at depths of 5, 10, 15 and 20 cm in a water phantom. Images for 34 IMRT fields acquired at 6 and 10 MV FF energy were converted to dose at 10 cm depth in water and compared to treatment planning system dose plane calculations using gamma criteria. Results: Gamma evaluations for the IMRT fields had mean (1 standard deviation) pass rates of 99.4% (0.8%) and mean gamma scores of 0.32 (0.06) with 2%, 2 mm criteria and 10% of maximum dose threshold. Conclusion: The developed model has been shown to be highly accurate for pre-treatment verification with the new aS1200 imager which does not display support-arm backscatter artefact and has improved dosimetric properties. Further investigation of FFF modes is in progress. The model is currently being evaluated at sites for potential clinical release.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Luminescence properties of Ce{sup 3+} and Tb{sup 3+} co-doped SiO{sub x}N{sub y} thin films: Prospects for color tunability in silicon-based hosts

In this work, the role of the nitrogen content, the annealing temperature, and the sample morphology on the luminescence properties of Ce{sup 3+} and Tb{sup 3+} co-doped SiO{sub x}N{sub y} thin films has been investigated. An increasing nitrogen atomic percentage has been incorporated in the host matrix by gradually replacing oxygen with nitrogen during fabrication while maintaining the Si content unaltered, obtaining a sequential variation in the film composition from nearly stoichiometric SiO{sub 2} to SiO{sub x}N{sub y}. The study of rare earth doped single layers has allowed us to identify the parameters that yield an optimum optical performance from Ce{sup 3+} and Tb{sup 3+} ions. Ce{sup 3+} ions proved to be highly sensitive to the annealing temperature and the nitrogen content, showing strong PL emission for relatively low nitrogen contents (from 0 to 20%) and moderate annealing temperatures (800–1000 °C) or under high temperature annealing (1180 °C). Tb{sup 3+} ions, on the other hand, displayed a mild dependence on those film parameters. Rare earth co-doping has also been investigated by comparing the luminescence properties of three different approaches: (i) a Ce{sup 3+} and Tb{sup 3+} co-doped SiO{sub x}N{sub y} single layer, (ii) a bilayer composed of two SiO{sub x}N{sub y} single layers doped with either Ce{sup 3+} or Tb{sup 3+} ions, and (iii) a multilayer composed of a series of either Tb{sup 3+} or Ce{sup 3+}-doped SiO{sub x}N{sub y} thin films with interleaved SiO{sub 2} spacers. Bright green emission and efficient energy transfer from either Ce{sup 3+} ions or Ce silicates to Tb{sup 3+} ions has been observed in the co-doped single layer as a consequence of the strong ion-ion interaction. On the other hand, independent luminescence from Ce{sup 3+} and Tb{sup 3+} ions has been observed in the Ce{sup 3+} and Tb{sup 3+} co-doped bilayer and multilayer, providing a good scenario to develop light emitting devices with wide color tunability by varying the number of deposited films that contain each rare earth dopant. Moreover, the optoelectronic properties of Ce{sup 3+}- and/or Tb{sup 3+}-doped thin films have been studied by depositing transparent conductive electrodes over selected samples. An electroluminescence signal according to the rare earth transitions is obtained in all cases, validating the excitation of Ce{sup 3+} and Tb{sup 3+} ions upon electron injection. Also, the main charge transport of injected electrons has been evaluated and correlated with the layer stoichiometry. Finally, a simple reliability test has allowed disclosing the origin of the early breakdown of test devices, attributed to the excessive joule heating at filament currents that occur around a region close to the polarization point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2005

Automated Extraction of Flow Features

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, re-circulation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; isc-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

Dorney, Suzanne↗

NASA NTRS2004

Silicon Carbide Diodes Characterization at High Temperature and Comparison With Silicon Devices

Commercially available silicon carbide (SiC) Schottky diodes from different manufacturers rated at 200, 300, 600, and 1200 V, were electrically tested and characterized as a function of temperature up to 300 C. Electrical tests included both steady state and dynamic tests. Steady state tests produced forward and reverse I-V characteristic curves. Transient tests evaluated the switching performance of the diodes in either a hard-switched DC to DC buck converter or a half-bridge boost converter. For evaluation and comparison purposes, the same tests were performed with current state-of-the-art ultra fast silicon (Si) pn-junction diodes of similar ratings and also a Si Schottky diode. The comparisons made were forward voltage drop at rated current, reverse current at rated voltage, and turn-off peak reverse recovery current and reverse recovery time. In addition, efficiency measurements were taken for the buck DC to DC converter using both the SiC Schottky diodes and the Si pn-junction diodes at different temperatures and frequencies. The test results showed that at high temperature, the forward voltage drop for SiC Schottky diodes is higher than the forward drop of the ultra fast Si pn-junction diodes. As the temperature increased, the forward voltage drop of the SiC Schottky increased while for the ultra fast Si pn-junction diodes, the forward voltage drop decreased as temperature increased. For the elevated temperature steady state reverse voltage tests, the SiC Schottky diodes showed low leakage current at their rated voltage. Likewise, for the transient tests, the SiC Schottky diodes displayed low reverse recovery currents over the range of temperatures tested. Conversely, the Si pn-junction diodes showed increasing peak reverse current values and reverse recovery times with increasing temperature. Efficiency measurements in the DC to DC buck converter showed the advantage of the SiC Schottky diodes over the ultra fast Si pn-junction diodes, especially at the higher temperatures and higher frequencies.

Lebron-Velilla, Ramon C.↗

DOE OSTI2017

A Model Study of Substrate Effect on the Neutron-Scattering Spectra of Ferromagnetic Ordered Graphene

Graphene as a possible new magnetic material has stimulated research interest for application in spintronic devices. Pristine graphene does not show magnetism due to equivalence of the two sub-lattices of carbon atoms. It is predicted that impurity effects, substrate-induced gap, and defects, are expected to produce in-equivalence in two carbon sub-lattices leading to magnetism. The spins on the same sub-lattices are found to exhibit ferromagnetic order and spins of different sub-lattices are found to exhibit anti-ferromagnetic order. We consider here impurity and substrate effects as the cause of generation of magnetism in graphene. We report here a microscopic tight-binding study of frequency-dependent neutron scattering spectra for ferromagnetic ordering in the graphene systems. The tight-binding Hamiltonian consists of electron hoppings upto third nearest neighbors and substrate and impurity effects in the presence of Coulomb interaction of electrons separately at two in-equivalent A and B sub-lattices of graphene. We calculate the two-particle electron Green’s functions by using Zubarev’s Green’s function technique. The frequency-dependent scattering intensity of the system is computed numerically. The spectra displays a sharp peak at the neutron momentum transfer energy at low energies and another higher-energy peak appearing at substrate-induced gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Scalable Thin Light-Emitting Diode (LED) Light Sheet Platform

The goal of the Scalable Thin Light-Emitting Diode (LED) Light Sheet Platform project is to derisk the manufacturing scalability for a high chip count heterogeneous smart lighting platform, with the potential to enable significant energy savings through dynamic directional light control and custom. Specifically, the project derisks the scalability of a disruptive new computer controlled microassembly fabrication process SRI International is developing, to address fundamental cost barriers to mass production of high chip count systems. This is key for enabling mass adoption and thus maximum societal energy savings impact. The LED light sheet technology is a smart illumination platform that can be applied to lighting, signage, and display. It has features and a form factor similar to bendable or conformal OLED light sheets but uses more efficient LEDs with a remote phosphor layer that is very close to the LED to deliver a luminous efficacy that exceeds 125 lumen/Watt and enable > 50% Lighting Application Efficiency (LAE) energy savings. During Budget Period 1 (BP1), all of the BP1 milestones were successfully completed: (M2.0.1) Design demonstrator details that will meet the final project goals, (M6.1.1) Show lighting output model can predict illuminance, spatial, spectral distribution for specific light-sheet designs and use case, (M3.2.1) Automated loading supports 200 chip arrays, and (M3.3.1) Finish first interconnect process run for 200 chip array. The BP1 Go/No-Go Decision Point (G/NG 1) 200 chip demonstrator sample was in the process of final assembly and test at the end of BP1 on December 31, 2023. The objective was successfully achieved on January 16, 2024, when a wired 200-chip sample underwent confirmation testing that demonstrated a 93.75% first pass electrical yield that successfully exceeded the 75% first-pass electrical yield BP1 G/NG requirement. In addition, all 93.75% of the sample devices lit up, further demonstrating the ability to assemble and transfer small LED chips without damaging their functionality.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2004

Portable Electromyograph

A portable electronic apparatus records electromyographic (EMG) signals in as many as 16 channels at a sampling rate of 1,024 Hz in each channel. The apparatus (see figure) includes 16 differential EMG electrodes (each electrode corresponding to one channel) with cables and attachment hardware, reference electrodes, an input/output-and-power-adapter unit, a 16-bit analog-to-digital converter, and a hand-held computer that contains a removable 256-MB flash memory card. When all 16 EMG electrodes are in use, full-bandwidth data can be recorded in each channel for as long as 8 hours. The apparatus is powered by a battery and is small enough that it can be carried in a waist pouch. The computer is equipped with a small screen that can be used to display the incoming signals on each channel. Amplitude and time adjustments of this display can be made easily by use of touch buttons on the screen. The user can also set up a data-acquisition schedule to conform to experimental protocols or to manage battery energy and memory efficiently. Once the EMG data have been recorded, the flash memory card is removed from the EMG apparatus and placed in a flash-memory- card-reading external drive unit connected to a personal computer (PC). The PC can then read the data recorded in the 16 channels. Preferably, before further analysis, the data should be stored in the hard drive of the PC. The data files are opened and viewed on the PC by use of special- purpose software. The software for operation of the apparatus resides in a random-access memory (RAM), with backup power supplied by a small internal lithium cell. A backup copy of this software resides on the flash memory card. In the event of loss of both main and backup battery power and consequent loss of this software, the backup copy can be used to restore the RAM copy after power has been restored. Accessories for this device are also available. These include goniometers, accelerometers, foot switches, and force gauges.

De Luca, Gianluca↗

DOE OSTI2014

Development and Demonstration of a Security Core Component

In recent years, the convergence of a number of trends has resulted in Cyber Security becoming a much greater concern for electric utilities. A short list of these trends includes: · Industrial Control Systems (ICSs) have evolved from depending on proprietary hardware and operating software toward using standard off-the-shelf hardware and operating software. This has meant that these ICSs can no longer depend on “security through obscurity. · Similarly, these same systems have evolved toward using standard communications protocols, further reducing their ability to rely upon obscurity. · The rise of the Internet and the accompanying demand for more data about virtually everything has resulted in formerly isolated ICSs becoming at least partially accessible via Internet-connected networks. · “Cyber crime” has become commonplace, whether it be for industrial espionage, reconnaissance for a possible cyber attack, theft, or because some individual or group “has something to prove.” Electric utility system operators are experts at running the power grid. The reality is, especially at small and mid-sized utilities, these SCADA operators will by default be “on the front line” if and when a cyber attack occurs against their systems. These people are not computer software, networking, or cyber security experts, so they are ill-equipped to deal with a cyber security incident. Cyber Security Manager (CSM) was conceived, designed, and built so that it can be configured to know what a utility’s SCADA/EMS/DMS system looks like under normal conditions. To do this, CSM monitors log messages from any device that uses the syslog standard. It can also monitor a variety of statistics from the computers that make up the SCADA/EMS/DMS: outputs from host-based security tools, intrusion detection systems, SCADA alarms, and real-time SCADA values – even results from a SIEM (Security Information and Event Management) system. When the system deviates from “normal,” CSM can alert the operator in language that they understand that an incident may be occurring, provide actionable intelligence, and informing them what actions to take. These alarms may be viewed on CSM’s built-in user interface, sent to a SCADA alarm list, or communicated via email, phone, pager, or SMS message. In recognition of the fact that “real world” training for cyber security events is impractical, CSM has a built-in Operator Training Simulator capability. This can be used stand alone to create simulated event scenarios for training purposes. It may also be used in conjunction with the recipient’s SCADA/EMS/DMS Operator Training Simulator. In addition to providing cyber security situational awareness for electric utility operators, CSM also provides tools for analysts and support personnel; in fact, the majority of user interface displays are designed for use in analyzing current and past security events. CSM keeps security-related information in long-term storage, as well as writing any decisions it makes to a (syslog) log for use forensic or other post-event analysis.

Turke, Andy↗

NASA NTRS2008

NASA Tech Briefs, December 2008

Topics covered include: Crew Activity Analyzer; Distributing Data to Hand-Held Devices in a Wireless Network; Reducing Surface Clutter in Cloud Profiling Radar Data; MODIS Atmospheric Data Handler; Multibeam Altimeter Navigation Update Using Faceted Shape Model; Spaceborne Hybrid-FPGA System for Processing FTIR Data; FPGA Coprocessor for Accelerated Classification of Images; SiC JFET Transistor Circuit Model for Extreme Temperature Range; TDR Using Autocorrelation and Varying-Duration Pulses; Update on Development of SiC Multi-Chip Power Modules; Radio Ranging System for Guidance of Approaching Spacecraft; Electromagnetically Clean Solar Arrays; Improved Short-Circuit Protection for Power Cells in Series; Electromagnetically Clean Solar Arrays; Logic Gates Made of N-Channel JFETs and Epitaxial Resistors; Improved Short-Circuit Protection for Power Cells in Series; Communication Limits Due to Photon-Detector Jitter; System for Removing Pollutants from Incinerator Exhaust; Sealing and External Sterilization of a Sample Container; Converting EOS Data from HDF-EOS to netCDF; HDF-EOS 2 and HDF-EOS 5 Compatibility Library; HDF-EOS Web Server; HDF-EOS 5 Validator; XML DTD and Schemas for HDF-EOS; Converting from XML to HDF-EOS; Simulating Attitudes and Trajectories of Multiple Spacecraft; Specialized Color Function for Display of Signed Data; Delivering Alert Messages to Members of a Work Force; Delivering Images for Mars Rover Science Planning; Oxide Fiber Cathode Materials for Rechargeable Lithium Cells; Electrocatalytic Reduction of Carbon Dioxide to Methane; Heterogeneous Superconducting Low-Noise Sensing Coils; Progress toward Making Epoxy/Carbon-Nanotube Composites; Predicting Properties of Unidirectional-Nanofiber Composites; Deployable Crew Quarters; Nonventing, Regenerable, Lightweight Heat Absorber; Miniature High-Force, Long-Stroke SMA Linear Actuators; "Bootstrap" Configuration for Multistage Pulse-Tube Coolers; Reducing Liquid Loss during Ullage Venting in Microgravity; Ka-Band Transponder for Deep-Space Radio Science; Replication of Space-Shuttle Computers in FPGAs and ASICs; Demisable Reaction-Wheel Assembly; Spatial and Temporal Low-Dimensional Models for Fluid Flow; Advanced Land Imager Assessment System; Range Imaging without Moving Parts.

Source record↗

NASA NTRS2019

Medical Data Architecture (MDA) Project Status

The Medical Data Architecture (MDA) project supports the Exploration Medical Capability (ExMC) risk to minimize or reduce the risk of adverse health outcomes and decrements in performance due to in-flight medical capabilities on human exploration missions. To mitigate this risk, the ExMC MDA project addresses the technical limitations identified in ExMC Gap Med 07: We do not have the capability to comprehensively process medically-relevant information to support medical operations during exploration missions. This gap identifies that the current in-flight medical data management includes a combination of data collection and distribution methods that are minimally integrated with on-board medical devices and systems. Furthermore, there are a variety of data sources and methods of data collection. For an exploration mission, the seamless management of such data will enable a more medically autonomous crew than the current paradigm. The medical system requirements are being developed in parallel with the exploration mission architecture and vehicle design. ExMC has recognized that in order to make informed decisions about a medical data architecture framework, current methods for medical data management must not only be understood, but an architecture must also be identified that provides the crew with actionable insight to medical conditions. This medical data architecture will provide the necessary functionality to address the challenges of executing a self-contained medical system that approaches crew health care delivery without assistance from ground support. Hence, the products supported by current prototype development will directly inform exploration medical system requirements.In fiscal year 2018, the MDA project developed Test Bed 2, the second iteration in a series of prototypes with functionality focused on data security through role-based access control and encryption, integration with One Portal exercise software and ingestion of an ultrasound Digital Imaging and Communications in Medicine (DICOM) file and image display. Test Bed 2 advances the medical data system architecture framework by providing these functionalities in a scalable system that maintained a layered, modular design. The architecture framework uses a data services approach with role-based access to data in a customized medical record system suitable for space exploration. These functionalities were demonstrated as part of the Next Space Technologies for Exploration Partnerships (NextSTEP) ground test demonstrated at the NASA Johnson Space Center Integrated Power, Avionics and Software (iPAS) facility. Interfacing to a Core Flight Software (CFS) system, the MDA system, using Consultative Committee for Space Data Systems (CCSDS) protocol, transferred an exercise file from the simulated flight MDA system to a mirrored MDA system on the ground through the CFS system. The selection of data sources and demonstrations enabled the team to address stakeholder concerns throughout the development process. In the next iteration, the MDA team will work with stakeholders to identify additional relevant functionalities to further advance system data models, standards and principles that will inform the medical system requirements development.

medical data architecture↗

NASA NTRS1967

Surveyor III A preliminary report

Near the eastern shore of Oceanus Procellarum, 390 miles from Surveyor I, stands Surveyor III, now motionless and silent after a full lunar day's work during which the spacecraft transmitted to Earth 6315 photographs of its surroundings. A surface sampler, operated by command from the Earth and in view of Surveyor's television camera, conducted many tests of the character and structure of the lunar surface material, as well as digging four trenches. While Surveyor I put man's eyes on the Moon, Surveyor III added an arm and a hand with which to work. In this mission, Surveyor displayed remarkable adaptability and stability. Because the engines did not cut off before touchdown, the spacecraft in effect made three separate landings, giving information on surface bearing strength in several places. The spacecraft came to rest at an angle of about 14° from the vertical, well below the rim of a crater, making possible a detailed study of the floor and walls of a small lunar crater. The tilted position of the spacecraft also made it possible to obtain, for the first time from the surface of the Moon, photographs of a solar eclipse, and of the Earth in color. This report presents the preliminary findings from Surveyor III of the team of scientists and engineers of the Surveyor Program.

Surface property↗

DOE OSTI2016

Optical properties of graphene-based materials in transparent polymer matrices

Different aspects of graphene-based materials (GBMs) and GBM-nanocomposites have been investigated due to their intriguing features; one of these features is their transparency. Transparency of GBMs has been of an interest to scientists and engineers mainly with regard to electronic devices. In this study, optical transmittance of structural, purpose-made nanocomposites reinforced with GBMs was analyzed to lay a foundation for optical microstructural characterization of nanocomposites in future studies. Two main types of GBM reinforcements were studied, graphene oxide (GO) and graphite nanoplates (GNPs). The nanocomposites investigated are GO/poly(vinyl alcohol), GO/sodium alginate, and GNP/epoxy with different volume fractions of GBMs. Together with UV-visible spectrophotometry, image-processing-assisted micro and macro photography were used to assess the transparency of GBMs embedded in the matrices. The micro and macro photography methods developed were proven to be an alternative way of measuring light transmittance of semi-transparent materials. It was found that there existed a linear relationship between light absorbance and a volume fraction of GBMs embedded in the same type of polymer matrices, provided that the nanocomposites of interest had the same thicknesses. This suggests that the GBM dispersion characteristics in the same type of polymer are similar and any possible change in crystal structure of polymer due to different volumetric contents of GBM does not have an effect on light transmittance of the matrices. The study also showed that the same types of GBMs could display different optical properties in different matrix materials. The results of this study will help to develop practical microstructural characterization techniques for GBM-based nanocomposites.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Technique for Solving Electrically Small to Large Structures for Broadband Applications

Fast iterative algorithms are often used for solving Method of Moments (MoM) systems, having a large number of unknowns, to determine current distribution and other parameters. The most commonly used fast methods include the fast multipole method (FMM), the precorrected fast Fourier transform (PFFT), and low-rank QR compression methods. These methods reduce the O(N) memory and time requirements to O(N log N) by compressing the dense MoM system so as to exploit the physics of Green s Function interactions. FFT-based techniques for solving such problems are efficient for spacefilling and uniform structures, but their performance substantially degrades for non-uniformly distributed structures due to the inherent need to employ a uniform global grid. FMM or QR techniques are better suited than FFT techniques; however, neither the FMM nor the QR technique can be used at all frequencies. This method has been developed to efficiently solve for a desired parameter of a system or device that can include both electrically large FMM elements, and electrically small QR elements. The system or device is set up as an oct-tree structure that can include regions of both the FMM type and the QR type. The system is enclosed with a cube at a 0- th level, splitting the cube at the 0-th level into eight child cubes. This forms cubes at a 1st level, recursively repeating the splitting process for cubes at successive levels until a desired number of levels is created. For each cube that is thus formed, neighbor lists and interaction lists are maintained. An iterative solver is then used to determine a first matrix vector product for any electrically large elements as well as a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large and small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within the predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter. The solution for the desired parameter is then presented to a user in a tangible form; for example, on a display.

Jandhyala, Vikram↗

DOE OSTI2016

Metal oxide semiconductor thin-film transistors for flexible electronics

The field of flexible electronics has rapidly expanded over the last decades, pioneering novel applications, such as wearable and textile integrated devices, seamless and embedded patch-like systems, soft electronic skins, as well as imperceptible and transient implants. The possibility to revolutionize our daily life with such disruptive appliances has fueled the quest for electronic devices which yield good electrical and mechanical performance and are at the same time light-weight, transparent, conformable, stretchable, and even biodegradable. Flexible metal oxide semiconductor thin-film transistors (TFTs) can fulfill all these requirements and are therefore considered the most promising technology for tomorrow's electronics. This review reflects the establishment of flexible metal oxide semiconductor TFTs, from the development of single devices, large-area circuits, up to entirely integrated systems. First, an introduction on metal oxide semiconductor TFTs is given, where the history of the field is revisited, the TFT configurations and operating principles are presented, and the main issues and technological challenges faced in the area are analyzed. Then, the recent advances achieved for flexible n-type metal oxide semiconductor TFTs manufactured by physical vapor deposition methods and solution-processing techniques are summarized. In particular, the ability of flexible metal oxide semiconductor TFTs to combine low temperature fabrication, high carrier mobility, large frequency operation, extreme mechanical bendability, together with transparency, conformability, stretchability, and water dissolubility is shown. Afterward, a detailed analysis of the most promising metal oxide semiconducting materials developed to realize the state-of-the-art flexible p-type TFTs is given. Next, the recent progresses obtained for flexible metal oxide semiconductor-based electronic circuits, realized with both unipolar and complementary technology, are reported. In particular, the realization of large-area digital circuitry like flexible near field communication tags and analog integrated circuits such as bendable operational amplifiers is presented. The last topic of this review is devoted for emerging flexible electronic systems, from foldable displays, power transmission elements to integrated systems for large-area sensing and data storage and transmission. Finally, the conclusions are drawn and an outlook over the field with a prediction for the future is provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Combinatorial design of multimeric chelating peptoids for selective metal coordination

Current methods for metal chelation are generally based on multidentate organic ligands, which are generated through cumbersome multistep synthetic processes that lack flexibility for systematically varying metal-binding motifs. Octadentate ligands incorporating hydroxypyridinone or catecholamide binding moieties onto a spermine scaffold are known to display some of the highest affinities towards f-elements. Enhancing binding affinity for specific lanthanide or actinide ions however, necessitates ligand architectures that allow for modular and high throughput synthesis. Here we introduce a high-throughput combinatorial library of 16 tetrameric N -substituted glycine oligomers (peptoids) containing hydroxypyridinone or catecholamide chelating units linked via an ethylenediamine bridge and, for comparison, we also synthesized the corresponding mixed ligands derived from the spermine scaffold: 3,4,3-LI(1,2-HOPO) 2 (CAM) 2 and 3,4,3-LI(CAM) 2 (1,2-HOPO) 2 . Coordination-based luminescence studies were carried out with Eu 3+ and Tb 3+ to begin probing the properties of the new ligand architecture and revealed higher sensitization efficiency with the spermine scaffold as well as different spectroscopic features among the structural peptoid isomers. Solution thermodynamic properties of selected ligands revealed different coordination properties between the spermine and peptoid analogues with Eu 3+ stability constants log β 110 ranging from 28.88 ± 3.45 to 43.97 ± 0.49. The general synthetic strategy presented here paves the way for precision design of new specific and versatile ligands, with a variety of applications tailored towards the use of f-elements, including separations, optical device optimization, and pharmaceutical development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Plasma-Initiated Graft Polymerization of Acrylic Acid onto Fluorine-Doped Tin Oxide as a Platform for Immobilization of Water-Oxidation Catalysts

The discovery of new and versatile strategies for the immobilization of molecular water-oxidation catalysts (WOCs) is crucial for developing clean energy conversion devices [e.g., (photo)electrocatalytic cells for water splitting]. The traditional approach for surface attachment to transparent conductive oxides [e.g., fluorine doped tin oxide (FTO)] is via synthetic modification of the ligand architecture to incorporate functional groups such as carboxylic acids (-COOH) or phosphonates (-PO 3 H 2 ) prior to immobilization. However, challenges arising from desorption and the cumbersome derivatizations steps have limited the scope and applications of surface-bound WOCs. Herein, we report the successful immobilization of underivatized Ru(II)-based WOCs (Ru–Cat1 = [Ru(tpy) (bpy) (H 2 O)] 2+ (tpy = 2,2':6'2"–terpyridine and bpy = 2,2;-bipyridine) and Ru–Cat2 = [Ru(Mebimpy) (bpy) (H 2 O)] 2+ (Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl) pyridine)) and the Ru(II) polypyridyl chromophore Ru–C3 = [Ru(bpy) 3 ] 2+ onto a FTO plasma-grafted poly(acrylic acid) surface (PAA|FTO). Various characterization techniques such as attenuated total reflectance Fourier transform infrared spectroscopy, scanning electron microscopy, atomic force microscopy, and cyclic voltammetry measurements provide evidence for the plasma-induced grafted PAA|FTO film and immobilization. Surface stability and electrocatalytic properties of these new hybrid composite films upon cycling were investigated at different pH values. Immobilized Ru–Cat1 and Ru–Cat2 onto PAA|FTO displayed pH-dependent (RuIII/RuII) couples and onset potentials indicative of PCET (proton-coupled electron transfer) reactions. Based on cyclic voltammetry results and spectroscopic monitoring, the immobilized WOCs Ru–Cat1 and Ru–Cat2 exhibited a higher surface stability in neutral aqueous solutions relative to Ru–C3 upon electrochemical oxidation. Furthermore, we attribute the surface PCET and stability to the presence of a water ligand in the coordination sphere of immobilized Ru–Cat1 and Ru–Cat2 which can H-bond with negatively charged carboxylate groups of the cross-linked PAA brushes. Our findings demonstrate that the plasma-grafted polymeric network onto FTO offers a versatile platform to directly anchor unmodified homogeneous WOCs or chromophores for potential applications in solar-to-fuel energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2004

Imaging of gamma-Irradiated Regions of a Crystal

A holographic technique has been devised for generating a visible display of the effect of exposure of a photorefractive crystal to gamma rays. The technique exploits the space charge that results from trapping of electrons in defects induced by gamma rays. The technique involves a three-stage process. In the first stage, one writes a holographic pattern in the crystal by use of the apparatus shown in Figure 1. A laser beam of 532-nm wavelength is collimated and split into signal and reference beams by use of a polarizing beam splitter. On its way to the crystal, the reference beam goes through a two-dimensional optical scanner that contains two pairs of lenses (L1y, L2y and L1x,L2x) and mirrors M1 and M2, which can be rotated by use of micrometer drives to make fine adjustments. The signal beam is sent through a spatial light modulator that imposes the holographic pattern, then through two imaging lenses L(sub img) on its way to the crystal. An aperture is placed at the common focus of lenses Limg to suppress high-order diffraction from the spatial light modulator. The hologram is formed by interference between the signal and reference beams. A camera lens focuses an image of the interior of the crystal onto a charge-coupled device (CCD). If the crystal is illuminated by only the reference beam once the hologram has been formed, then an image of the hologram is formed on the CCD: this phenomenon is exploited to make visible the pattern of gamma irradiation of the crystal, as described next. In the second stage of the process, the crystal is removed from the holographic apparatus and irradiated with rays at a dose of about 100 krad. In the third stage of the process, the crystal is remounted in the holographic apparatus in the same position as in the first stage and illuminated with only the reference beam to obtain the image of the hologram as modified by the effect of the rays. The orientations of M1 and M2 can be adjusted slightly, if necessary, to maximize the intensity of the image. Figure 2 shows such an image that was formed in a crystal of Fe:LiNbO3.

Dragoi, Danut↗