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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.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Business Case for Nuclear Plant Control Room Modernization

This paper presents a generic business case for implementation of technology that supports Control Room Modernization (CRM). The analysis presented in two forms; 1) a standalone technology upgrade, and 2) a technology upgrade that is built upon and incremental to a prior business case created for Mobile Work Packages (MWP). The business case contends that advanced communication and networking and analytical technologies will allow NPP to conduct control room operations with improved focus by reducing human factors and redundant manpower, and therefore operate with fewer errors. While some labor savings can be harvested in terms of overtime, the majority of savings are demonstrated as reduced time to take the plant off line and bring back on line in support of outages. The benefits are quantified to a rough order of magnitude that provides directional guidance to NPPs that are interested in developing a similar business case. This business case focuses on modernization of the operator control room and does not consider a complete overhaul and modernization of a plants instrument and control systems. While operators may be considering such an investment at their plants, the sizable capital investment required is not likely supported by a cost/benefit analysis alone. More likely, it is driven by obsolescence and reliability issues, and requires consideration of mechanical condition of plant systems, capital depreciation, financing, relicensing and overall viability of the plant asset over a 20-year horizon in a competitive market. Prior studies [REF] have indicated that such a modernization of plant I&C systems, alone or as part of a larger modernization effort, can yield very significant reductions in O&M costs. However, the depth of research and analysis required to develop a meaningful business case for a plant modernization effort is well beyond the scope of this study. While CRM as considered in this study can be easily integrated as part of grander plant modernization effort, it can also be considered as a stand-alone project, implemented as a supervisorial layer over and above existing systems. CRM is enabled by a suite of technologies, which are described in further detail in the body of this report. They include: • Modernized control room with interactive displays • High-bandwidth wireless networks • Mobile devices • Component identification technology • Mobile wireless video cameras • Smart or task based operator displays • Computer-Based Procedures (CBP)/Automated Mobile Work Packages (MWP) • Intelligent plant configuration • Advanced data analytics An analysis was conducted to determine how these technologies might impact outage operations at an NPP. The analysis concluded that outage management capabilities would be improved with application of these technologies, and result in annual benefits for the plant. These improved capabilities were identified and described in further detail in this report. • Reduction in need redundant manpower (verification, etc) • Improved critical path shutdown and restart duration during outages • Reduction in human factors and errors • Remote watches • Paperless outage coordination • Bulk work optimization

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Quantum Dot Light-Emitting Devices: Beyond Alignment of Energy Levels

Multinary semiconductor nanoparticles such as CuInS 2 , AgInS 2 , and the corresponding alloys with ZnS hold promise for designing future quantum dot light-emitting devices (QLED). The QLED architectures require matching of energy levels between the different electron and hole transport layers. In addition to energy level alignment, conductivity and charge transfer interactions within these layers determine the overall efficiency of QLED. By employing CuInS 2 -ZnS QDs we succeeded in fabricating red-emitting QLED using two different hole-transporting materials, polyvinylcarbazole and poly(4- butylphenyldiphenylamine). Despite the similarity of the HOMO-LUMO energy levels of these two hole transport materials, the QLED devices exhibit distinctly different voltage dependence. The difference in onset voltage and excited state interactions shows the complexity involved in selecting the hole transport materials for display devices.

quantum dots, LED, light-emitting devices, hole-tr↗
DOE OSTI2018

Producing EGS4 Shower Displays with the Unified Graphics System

The EGS4 Code System has been coupled with the SLAC Unified Graphics System in such a manner as to provide a means for displaying showers on UGS77-supported devices. This is most easily accomplished by attaching an auxiliary subprogram package (SHOWGRAF) t o existing EGS4 User Codes and making use of a graphics display or a post-processor code called EGS4PL. SHOWGRAF shower displays directly on interactive ing three-dimensional rotations, translations, may be used to create IBM 5080 color display devices, support- and zoom features, and providing illustration of particle types and energies by color and/or intensity. Alternatively, SHOWGRAF may be used to record a two-dimensional projection of the shower in a device-independent graphics file. The EGS4PL post-processor may then be used to convert this file into device-dependent graphics code for any UGS77-supported device. Options exist within EGS4PL that allow for two-dimensional translations and zoom, for creating line structure to indicate particle types and energies, and for optional display of particles by type. All of this is facilitated by means of the command processor EGS4PL EXEC together with new options (5080 and PDEV) with the standard EGS4IN EXEC routine for running EGS4 interactively under VM/SP.

Cowan, R.↗
DOE OSTI2022

Thin film block copolymer self-assembly for nanophotonics

The nanophotonic engineering of light–matter interactions has profoundly changed research behind the design and fabrication of optical materials and devices. Metasurfaces—arrays of subwavelength nanostructures that interact resonantly with electromagnetic radiation—have emerged as an integral nanophotonic platform for a new generation of ultrathin lenses, displays, polarizers and other devices. Their success hinges on advances in lithography and nanofabrication in recent decades. While existing nanolithography techniques are suitable for basic research and prototyping, issues of cost, throughput, scalability, and substrate compatibility may preclude their use for many metasurface applications. Patterning via spontaneous self-assembly of block copolymer thin films offers an enticing alternative for nanophotonic manufacturing that is rapid, inexpensive, and applicable to large areas and diverse substrates. This review discusses the advantages and disadvantages of block copolymer-based nanopatterning and highlights recent progress in their use for broadband antireflection, surface enhanced Raman spectroscopy, and other nanophotonic applications. Here recent advances in diversification of self-assembled block copolymer nanopatterns and improved processes for enhanced scalability of self-assembled nanopatterning using block copolymers are also discussed, with a spotlight on directions for future research that would enable a wider array of nanophotonic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Near-field imaging and spectroscopy of terahertz resonators and metasurfaces [Invited]

Terahertz (THz) metasurfaces have become a key platform for engineering light-matter interaction at THz frequencies. They have evolved from simple metallic resonator arrays into tunable and programmable devices, displaying ultrafast modulation rates and incorporating emerging quantum materials. The electrodynamics which govern metasurface operation can only be directly revealed at the scale of subwavelength individual metasurface elements, through sampling their evanescent fields. It requires near-field spectroscopy and imaging techniques to overcome the diffraction limit and provide spatial resolution down to the nanoscale. Through a series of case studies, this review provides an in-depth overview of recently developed THz near-field microscopy capabilities for research on metamaterials.

Hale, Lucy L. (ORCID:0000000176544272)↗
DOE OSTI2019

Mapping of the HIDRA stellarator magnetic flux surfaces

The Hybrid Illinois Device for Research and Applications (HIDRA) is a classical stellarator designed for conducting plasma material interaction experiments and developing novel Plasma Facing Components (PFCs). Notably, the testing of two open-channel liquid lithium PFCs is imminent. Determining the shape of the plasma and its magnetic structure inside HIDRA is essential to carry out these tests. For this, electron traces were captured to build up the images of the HIDRA magnetic flux surfaces for several magnetic configurations, following the same procedure previously employed on the WEGA stellarator coupling an electron gun with a fluorescent detector. The FIELDLINES code has then been used to generate computational surfaces matching the experimental results. The obtained surfaces were found to be subject to a similar n = 1 error field as the one observed on WEGA, suggesting that the origin of this error field is inherent to the HIDRA vacuum vessel. Also, the effect of adding a vertical field was investigated, demonstrating the ability to radially shift the magnetic axis and move to a regime free of low-order rational resonances. Finally, this additional control over the HIDRA plasma and magnetic structure allows more freedom in setting up the PFC tests in the limiter and divertor regions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

SU-F-T-80: A Mobile Application for Intra-Operative Electron Radiotherapy Treatment Planning

Purpose: Intraoperative electron radiotherapy (IORT) poses a unique set of challenges for treatment planning. Planning must be performed in a busy operating room environment over a short timeframe often with little advance knowledge of the treatment depth or applicator size. Furthermore, IORT accelerators can have a large number of possible applicators, requiring extensive databooks that must be searched for the appropriate dosimetric parameters. The goal of this work is to develop a software tool to assist in the planning process that is suited to the challenges faced in the IORT environment. Methods: We developed a mobile application using HTML5 and Javascript that can be deployed to tablet devices suitable for use in the operating room. The user selects the desired treatment parameters cone diameter, bevel angle, and energy (a total of 141 datasets) and desired bolus. The application generates an interactive display that allows the user to dynamically select points on the depth-dose curve and to visualize the shape of the corresponding isodose contours. The user can indicate a prescription isodose line or depth. The software performs a monitor unit calculation and generates a PDF report. Results: We present our application, which is now used routinely in our IORT practice. It has been employed successfully in over 23 cases. The interactivity of the isodose distributions was found to be of particular use to physicians who are less-frequent IORT users, as well as for the education of residents and trainees. Conclusion: This software has served as a useful tool in IORT planning, and demonstrates the need for treatment planning tools that are designed for the specialized challenges encountered in IORT. This software is the subject of a license agreement with the IntraOp Medical Corporation. This software is the subject of a license agreement between Massachusetts General Hospital / Partners Healthcare and the IntraOp Medical Corporation. CLW is consulting on software development with the IntraOp Medical Corporation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

A high-temperature ferromagnetic topological insulating phase by proximity coupling

Topological insulators are insulating materials that display conducting surface states protected by time-reversal symmetry 1 , 2 , wherein electron spins are locked to their momentum. This unique property opens up new opportunities for creating next-generation electronic, spintronic and quantum computation devices 3 , 4 , 5 . Introducing ferromagnetic order into a topological insulator system without compromising its distinctive quantum coherent features could lead to the realization of several predicted physical phenomena 6 , 7 . In particular, achieving robust long-range magnetic order at the surface of the topological insulator at specific locations without introducing spin-scattering centres could open up new possibilities for devices. Here we use spin-polarized neutron reflectivity experiments to demonstrate topologically enhanced interface magnetism by coupling a ferromagnetic insulator (EuS) to a topological insulator (Bi 2 Se 3 ) in a bilayer system. This interfacial ferromagnetism persists up to room temperature, even though the ferromagnetic insulator is known to order ferromagnetically only at low temperatures (<17 K). The magnetism induced at the interface resulting from the large spin–orbit interaction and the spin–momentum locking of the topological insulator surface greatly enhances the magnetic ordering (Curie) temperature of this bilayer system. The ferromagnetism extends ~2 nm into the Bi 2 Se 3 from the interface. Owing to the short-range nature of the ferromagnetic exchange interaction, the time-reversal symmetry is broken only near the surface of a topological insulator, while leaving its bulk states unaffected. The topological magneto-electric response originating in such an engineered topological insulator 2 , 8 could allow efficient manipulation of the magnetization dynamics by an electric field, providing an energy-efficient topological control mechanism for future spin-based technologies

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Molecular engineered conjugated polymer with high thermal conductivity

Traditional polymers are both electrically and thermally insulating. The development of electrically conductive polymers has led to novel applications such as flexible displays, solar cells, and wearable biosensors. As in the case of electrically conductive polymers, the development of polymers with high thermal conductivity would open up a range of applications in next-generation electronic, optoelectronic, and energy devices. Current research has so far been limited to engineering polymers either by strong intramolecular interactions, which enable efficient phonon transport along the polymer chains, or by strong intermolecular interactions, which enable efficient phonon transport between the polymer chains. However, it has not been possible until now to engineer both interactions simultaneously. We report the first realization of high thermal conductivity in the thin film of a conjugated polymer, poly(3-hexylthiophene), via bottom-up oxidative chemical vapor deposition (oCVD), taking advantage of both strong C=C covalent bonding along the extended polymer chain and strong pi-pi stacking noncovalent interactions between chains. We confirm the presence of both types of interactions by systematic structural characterization, achieving a near-room temperature thermal conductivity of 2.2 W/m.K, which is 10 times higher than that of conventional polymers. In conclusion, with the solvent-free oCVD technique, it is now possible to grow polymer films conformally on a variety of substrates as lightweight, flexible heat conductors that are also electrically insulating and resistant to corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rapid, Sensitive, Label-Free Electrical Detection of SARS-CoV-2 in Nasal Swab Samples

Rapid diagnosis of coronavirus disease 2019 (COVID-19) is key for the long-term control of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) amid renewed threats of mutated SARS-CoV-2 around the world. Here, we report on an electrical label-free detection of SARS-CoV-2 in nasopharyngeal swab samples directly collected from outpatients or in saliva-relevant conditions by using a remote floating-gate field-effect transistor (RFGFET) with a 2-dimensional reduced graphene oxide (rGO) sensing membrane. RFGFET sensors demonstrate rapid detection (<5 min), a 90.6% accuracy from 8 nasal swab samples measured by 4 different devices for each sample, and a coefficient of variation (CV) < 6%. Also, RFGFET sensors display a limit of detection (LOD) of pseudo-SARS-CoV-2 that is 10 000-fold lower than enzyme-linked immunosorbent assays, with a comparable LOD to that of reverse transcriptionpolymerase chain reaction (RT-PCR) for patient samples. To achieve this, comprehensive systematic studies were performed regarding interactions between SARS-CoV-2 and spike proteins, neutralizing antibodies, and angiotensin-converting enzyme 2, as either a biomarker (detection target) or a sensing probe (receptor) functionalized on the rGO sensing membrane. Finally, taken together, this work may have an immense effect on positioning FET bioelectronics for rapid SARS-CoV-2 diagnostics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Verifying the structure-property-performance relationship of Y6-based small molecule acceptors by alkoxy-side chain isomerization and conjugated skeleton asymmetry

Non-fullerene small molecule acceptors (NF-SMAs) such as Y6 derivatives were the current working horse for the top performing polymer solar cells (PSCs). For this reason, numerous chemical modifications have been explored for establishing structure–property-performance relationship for Y6-based NF-SMAs. In this work, we explored the isomerization on asymmetrical Y6 derivatives by varying the position of alkoxy side chain on the thiophene linkage between the core and one of the end groups of Y6. The isomers with differences in conformational restriction raised by noncovalent interactions as well as steric hindrance revealed distinctive behavior in crystallization and polymorphism, which led to a significant contrast in PSC performances. Here the X-TO1 molecule with alkoxy side chain facing the end group (outward) displayed preferred molecular configuration and polymorph, delivering power conversion efficiency (PCE) of 15.63%, while its isomer X-TO2 showed coexisted polymorphs significantly increased the charge recombination in the PSC devices led to a low PCE around 3%. This structure–property-performance relationship not only highlighted the elegancy of isomerization in tuning the photovoltaic performances but also identified polymorphism as one of the causes for impairing photovoltaic performances of PSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Realization of ordered magnetic skyrmions in thin films at ambient conditions

Magnetic skyrmions have captivated physicists due to their topological nature and novel physical properties. In addition, skyrmions hold significant promise for future information technologies. A key barrier to realizing skyrmion-based devices has been stabilizing these spin structures under ambient conditions. In this paper, we demonstrate that the tunable magnetic properties of amorphous Fe/Gd mulitlayers enable the formation of skyrmion lattices which are stable over a large temperature and magnetic field parameter space, including room temperature and zero magnetic field. These skyrmions, having a hybrid nature displaying both Bloch-type and Néel-type characteristics, are stabilized by dipolar interactions rather than Dzyaloshinskii-Moriya interactions, typically considered a requirement for the generation of skyrmions. Small angle neutron scattering (SANS) was used in combination with soft x-ray microscopy to provide a unique, multiscale probe of the local and long-range order of these structures. The hexagonal lattice seen in SANS results from the hybrid skyrmion picture obtained with micromagnetic simulations. Furthermore, these results identify a pathway to engineer controllable skyrmion phases in thin film geometries which are stable at ambient conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optimizing the impacts of solid additives on the operational stability and processing reliability of organic solar cells

Previous reports have revealed that by leveraging solid additives, organic solar cells (OSCs) can surpass the device’s performance beyond the intrinsic limitations of host photoactive molecules, a remarkable advancement. However, the impacts of more complex interactions introduced by solid additives are not yet well understood. Herein, optimizing the fabrication process based on the traditional efficiency-guided approach fails to represent the ideal and most practical devices. In particular, achieving superior operational stability while minimizing the device performance scattering was found to require processing solvent evaporation to be synchronized with the volatility of the chosen solid additive. However, this may be challenging since most organic photoactive materials display excellent efficiencies only with selected solvents. Accordingly, this work also demonstrates the potential of dual and complementary solvents selection, consisting of low boiling point (primary) and high boiling point (secondary). This strategy allows for the suppression of any potential trade-offs in efficiency. Meanwhile, the operational stability and precision of device performance are substantially enhanced. Additionally, solid additives have demonstrated that the singlet exciton dissociation rate does not limit the free charge generation yield. Finally, these findings are expected to reformulate OSC device fabrication strategies towards more practical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unraveling the Combined Photothermal Stability of Common Perovskite Solar Cell Compositions

In halide perovskite solar cells, certain compositions, especially those with a high mixture of anions, degrade rapidly. Here, in this study, a degradation study compares the photo (exposure to light), thermal (exposure to elevated temperatures), and photo-plus-thermal (combination) stability of three representative perovskite compositions chosen for their relatively high performance and to independently test anion versus cation effects. Based upon experience and reports, the compositions studied are triple cation with a high Br ratio (Cs 0.05 (FA 0.98 MA 0.02 ) 0.95 Pb(I 0.5 Br 0.5 ) 3 ), all iodide with a moderately high Cs ratio (FA 0.8 Cs 0.2 PbI 3 ), and FA-dominated triple cation (Cs 0.05 (FA 0.98 MA 0.02 ) 0.95 Pb(I 0.98 Br 0.02 ) 3 ). Cs 0.05 (FA 0.98 MA 0.02 ) 0.95 Pb(I 0.98 Br 0.02 ) 3 displayed the best combined photo-plus-thermal stability. Degradation mechanisms were investigated by comparing the morphology, surface composition, and bulk and interface carrier dynamics. Under the harshest aging conditions (photo-plus-thermal), phase segregation and vaporization of organic cations occurred, along with the appearance of high-energy states indicating the interaction with C 60 . The findings were verified on perovskite films blade-coated in air used in devices (FTO/NiOx/SAM/Perovskite/C 60 /BCP/Cu), achieving an efficiency of 21.9% alongside correlated stability.

14 SOLAR ENERGY↗
DOE OSTI2023

State of the Art of Molecular Visualization in Immersive Virtual Environments

Abstract Visualization plays a crucial role in molecular and structural biology. It has been successfully applied to a variety of tasks, including structural analysis and interactive drug design. While some of the challenges in this area can be overcome with more advanced visualization and interaction techniques, others are challenging primarily due to the limitations of the hardware devices used to interact with the visualized content. Consequently, visualization researchers are increasingly trying to take advantage of new technologies to facilitate the work of domain scientists. Some typical problems associated with classic 2D interfaces, such as regular desktop computers, are a lack of natural spatial understanding and interaction, and a limited field of view. These problems could be solved by immersive virtual environments and corresponding hardware, such as virtual reality head‐mounted displays. Thus, researchers are investigating the potential of immersive virtual environments in the field of molecular visualization. There is already a body of work ranging from educational approaches to protein visualization to applications for collaborative drug design. This review focuses on molecular visualization in immersive virtual environments as a whole, aiming to cover this area comprehensively. We divide the existing papers into different groups based on their application areas, and types of tasks performed. Furthermore, we also include a list of available software tools. We conclude the report with a discussion of potential future research on molecular visualization in immersive environments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

SpinDX Case Study

SpinDX, often referred to as a "lab-on-a-disk" is a portable, medical diagnostic platform that uses a disposable, centrifugal disk with microfluidic flow paths to manipulate a biological sample. This allows multiple tests to be carried out on a single sample with no preparation required. The device operates by distributing drops of raw, unprocessed samples into different channels that function as dozens of tiny test tubes. When the disc spins, the samples interact with test reagents inside the channels. If there is a chemical interaction between the sample and the reagent, the tip of the channel will produce a fluorescent glow indicating that there is an infectious agent present. The data is then transferred to a software interface that displays the test results.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Supramolecular architectures of molecularly thin yet robust free-standing layers

Stable, single-nanometer thin, and free-standing two-dimensional layers with controlled molecular architectures are desired for several applications ranging from (opto-)electronic devices to nanoparticle and single-biomolecule characterization. It is, however, challenging to construct these stable single molecular layers via self-assembly, as the cohesion of those systems is ensured only by in-plane bonds. We herein demonstrate that relatively weak noncovalent bonds of limited directionality such as dipole-dipole (–CN … NC–) interactions act in a synergistic fashion to stabilize crystalline monomolecular layers of tetrafunctional calixarenes. The monolayers produced, demonstrated to be free-standing, display a well-defined atomic structure on the single-nanometer scale and are robust under a wide range of conditions including photon and electron radiation. This work opens up new avenues for the fabrication of robust, single-component, and free-standing layers via bottom-up self-assembly.

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

Unraveling the Main Chain and Side Chain Effects on Thin Film Morphology and Charge Transport in Quinoidal Conjugated Polymers

Three series of low-bandgap polymers based on a novel quinoidal para -azaquinodimethane ( p -AQM) unit are devised and synthesized, enabling an in-depth study of the impact of structural factors such as polymer main chain, branching point of the side chain, and the length of the branch chains on the thin film morphologies and charge transport properties. Morphological studies reveal that the polymers composed of larger repeating units exhibit a stronger tendency to form edge-on lamella. In contrast, altering the side chain structures of polymers with the same main chain configuration indicates that the branching point position has a more deterministic impact than the branch chain length on the interchain interactions and the crystallite orientation. These results demonstrate a compound odd-even effect of the branching point on the chain packing and morphology, which correlates well with the corresponding field effect transistor performances. The polymer with the branching point at the fourth carbon displays the highest charge carrier mobility over 1.0 cm 2 V-Three series of low-bandgap polymers based on a novel quinoidal para -azaquinodimethane ( p -AQM) unit are devised and synthesized, enabling an in-depth study of the impact of structural factors such as polymer main chain, branching point of the side chain, and the length of the branch chains on the thin film morphologies and charge transport properties. Morphological studies reveal that the polymers composed of larger repeating units exhibit a stronger tendency to form edge-on lamella. On the other hand, altering the side chain structures of polymers with the same main chain configuration indicates that the branching point position has a more deterministic impact than the branch chain length on the interchain interactions and the crystallite orientation. These results reflect a compound odd-even effect of the branching point on the chain packing and morphology, which correlates well with the corresponding field effect transistor performances. The polymer with the branching point at the fourth carbon displays the highest charge carrier mobility over 1.0 cm 2 V -1 s -1 , concurrent with a bimodal texture. This study provides a comprehensive description of the correlations between polymer structures, thin film morphology, and device performances, providing a clear path to desirable bimodal thin film texture for charge transport.

36 MATERIALS SCIENCE↗