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Learning From Failure: Boosting Cycling Endurance of Optical Phase Change Materials
Chalcogenide phase change materials (PCMs) are a unique class of compounds whose switchable optical and electronic properties have fueled an explosion of emerging applications in microelectronics and microphotonics. Key to any application is the ability of PCMs to reliably switch between crystalline and amorphous states over a large number of cycles. While this issue has been extensively studied in the case of microelectronic memories, current PCM-based optical devices suffer from much inferior endurance. To understand the failure mechanisms limiting endurance of PCMs specifically in microphotonic devices, we have developed an on-chip resistive micro-heater platform and an automatic multi-modal characterization system to analyze cycling performance of optical PCMs. Reversible switching of large-area PCM devices over 50,000 cycles was demonstrated.
Development of an MC&A toolbox for liquid-fueled molten salt reactors with online reprocessing (Final Report)
A critical barrier to the deployment of MSRs is the absence of a well-defined nuclear material control and accounting (MC&A) approach, a vital prerequisite to meet NRC licensing requirements as well as facilitating future international exports. Liquid-fueled MSR variants (especially those incorporating online refueling or reprocessing) present a unique set of challenges to traditional nuclear material control and accountancy. Unlike solid-fueled light-water reactors, traditional item-counting methods cannot be applied as an accountancy strategy. Rather, MC&A approaches to MSR variants (including both uranium and thorium fueled designs) are more analogous to bulk material handling facilities (e.g., enrichment and reprocessing); yet further complicating matters is the fact that fuel medium is also highly radioactive. Meanwhile, the space of MSRs covers a broad range of design parameters, including thermal and fast spectra designs; operation in actinide breeder or burner modes, choice of actinide fuel used (e.g., 235 U, 232 Th / 233 U, denatured 233 U, etc.), pool or loop-type configuration, and even different salt chemistry. Each of these design choices introduce significant challenges to MC&A approaches within MSR facilities. We propose to bridge this gap for liquid-fueled MSRs by developing a modular, component-based test framework for evaluating viable process monitoring and MC&A techniques specifically suited to liquid-fueled MSR system variants employing online refueling or reprocessing. This test platform will consist of a toolbox of independent process modules representing discrete physical units (such as the reactor core, off-gas processing, decay tanks, and actinide separation units), each with its own self-contained physics responsive to the input mass flow, along with appropriate measurement models that can be coupled to key flow points. These dynamic physical signatures thus afford the ability to test the viability and efficacy of potential accountancy techniques under the full range of reactor operating conditions. As process modules are connected via mass flows, the result is a reconfigurable, generic MSR mass flow model capable of serving as an MC&A test platform for a broad spectrum of possible MSR configurations. The resulting MSR MC&A toolbox will enable robust assessment of accountancy strategies for this unique facility type, including analysis of physical feedbacks arising both from depletion of the fuel over time as well as from potential off-normal events, including those introduced by equipment failures (e.g., a pump failure) as well as by malicious action (i.e., attempts to divert material). The proposed toolbox both addresses a critical needs area for the MPACT analysis toolkit while leveraging existing MPACT-sponsored tools, especially with respect to simulation of measurement and accountancy techniques for advanced fuel cycle facilities. Beyond enabling new analysis capabilities for MSR systems, the design of this toolbox will be to such to maximize compatibility with existing MPACT tools, such to enhance existing facility MC&A analysis capabilities.
Evaluating the Origins of Aerobic Oxidation Catalysis with TAM-3, a MOF with Accessible Co(II) Sites and Large Pores
Metal-organic frameworks (MOFs) are attractive platforms that merge concepts of homogeneous and heterogeneous catalysis. Catalyst design and optimization are enabled by an array of synthetic methods that offer independent control over the local chemical structure of lattice-embedded metal ions (i.e., ligand identity and geometry) and the long-range materials properties (i.e., porosity). Establishing the origin of catalytic activity in MOF-promoted reactions remains a significant challenge: The relative rates of catalyst turnover and substrate diffusion dictate the extent to which interstitial sites are accessible and operational in catalysis. To minimize the contributions of surface sites in catalysis, materials with large pore dimensions are often sought, however, the impact of pore expansion on the origins of catalytic activity is similarly challenging to establish. Here, we describe TAM-3, a Co(II) based MOF with accessible metal sites supported by a facially coordinating tris-tetrazole ligand set. TAM-3 features large channel-like pores (17 × 23 Å) and promotes aerobic C−H oxidation and olefin epoxidation. Using a set of simple kinetics experiments, based on the analysis of kinetic isotope effects and olefin oxidation diastereoselectivities, we demonstrate that despite the large pores, interstitial metal ions do not significantly contribute to the observed substrate oxidation. This study highlights the importance of conducting kinetic experiments to assess the origin of apparent catalytic activity with MOFs and the challenge of harnessing reactive oxidants with microporous catalyst materials.
Lithium-ion electrolytic substrates for sub-1V high-performance transition metal dichalcogenide transistors and amplifiers
Electrostatic gating of two-dimensional (2D) materials with ionic liquids (ILs), leading to the accumulation of high surface charge carrier densities, has been often exploited in 2D devices. However, the intrinsic liquid nature of ILs, their sensitivity to humidity, and the stress induced in frozen liquids inhibit ILs from constituting an ideal platform for electrostatic gating. Here we report a lithium-ion solid electrolyte substrate, demonstrating its application in high-performance back-gated n-type MoS 2 and p-type WSe 2 transistors with sub-threshold values approaching the ideal limit of 60 mV/dec and complementary inverter amplifier gain of 34, the highest among comparable amplifiers. Remarkably, these outstanding values were obtained under 1 V power supply. Microscopic studies of the transistor channel using microwave impedance microscopy reveal a homogeneous channel formation, indicative of a smooth interface between the TMD and underlying electrolytic substrate. These results establish lithium-ion substrates as a promising alternative to ILs for advanced thin-film devices.
Overview of Quantum Sensing Materials and Techniques for Energy Sector Applications
The energy sector is dependent upon highly sensitive sensing devices for a wide range of applications. Variables such as temperature, pH, electromagnetic fields, and pressure must be measured with high precision, often in harsh conditions (e.g. high temperature, pressure and humidity). These sensors are deployed in infrastructure such as transformers, pipelines, mines, nuclear power plants, and other areas to ensure safe operating conditions and uninterrupted, optimized service. Moreover, new opportunities for sensors have emerged due to the expansion of smart grids/meters, driverless vehicles, and the discovery of new oil/gas deposits. The continued maturation of quantum sensors offers exciting opportunities for quantum-enhanced measurements to improve sensitivity beyond the classical limit. Here, an overview of established and emerging quantum materials and methods for sensing applications will be provided. Opportunities within the energy sector for quantum sensors will then be analyzed, including oil/gas discovery, greenhouse gas emission monitoring, pH and ion sensing, current measurements, and quantum-enhanced spectroscopy, along with barriers such as quantum sensor platform miniaturization and ruggedization. A specific project at the National Energy Technology Laboratory involving the functionalization of qubits using metal-organic frameworks for enhanced quantum sensing will then be highlighted. Here, nitrogen vacancy centers (NV) in nanodiamonds, a commercially available qubit with long coherence times and utilizable quantum properties at room temperature, are encapsulated using the metal-organic framework ZIF-8. Significantly, the ZIF-8 coating increases the longitudinal spin relaxation lifetime of the NV centers, an important parameter for spin relaxometry-based quantum sensing experiments. These results demonstrate the importance of qubit functionalization as a crucial step for rationally designing high performance quantum sensors.
Machine and Deep Learning: Artificial Intelligence Application in Biotic and Abiotic Stress Management in Plants
Biotic and abiotic stresses significantly affect plant fitness, resulting in a serious loss in food production. Biotic and abiotic stresses predominantly affect metabolite biosynthesis, gene and protein expression, and genome variations. However, light doses of stress result in the production of positive attributes in crops, like tolerance to stress and biosynthesis of metabolites, called hormesis. Advancement in artificial intelligence (AI) has enabled the development of high-throughput gadgets such as high-resolution imagery sensors and robotic aerial vehicles, i.e., satellites and unmanned aerial vehicles (UAV), to overcome biotic and abiotic stresses. These High throughput (HTP) gadgets produce accurate but big amounts of data. Significant datasets such as transportable array for remotely sensed agriculture and phenotyping reference platform (TERRA-REF) have been developed to forecast abiotic stresses and early detection of biotic stresses. For accurately measuring the model plant stress, tools like Deep Learning (DL) and Machine Learning (ML) have enabled early detection of desirable traits in a large population of breeding material and mitigate plant stresses. In this review, advanced applications of ML and DL in plant biotic and abiotic stress management have been summarized.
An Innovative High Throughput Genome Releaser for Rapid and Efficient PCR Screening
High-throughput PCR screening is vital in synthetic biology and metabolic engineering as it allows researchers to rapidly analyze and detect numerous targeted genetic mutation in the genome. Current challenges for high-throughput PCR screening in synthetic biology include efficiently preparing genomic DNA, optimizing protocols for diverse sample types, managing contamination risks, and effectively analyzing the large volumes of data generated while ensuring consistent and accurate results. In this study, we present the development of a High Throughput Genome Releaser (HTGR), an innovative device addressing common challenges in screening PCR. This genome DNA releaser is designed based on a squash method for rapid, cost-effective, and efficient DNA release, optimized for subsequent PCR reactions. After experimenting with various synthetic materials, we selected a plastic that closely replicates the smooth surface and compression properties of microscope slides, ensuring reliable performance. We engineered a device featuring a 96-Well Plate and a shear applicator, operable both manually and automatically, and compatible with standard liquid-handling robot platform. This compatibility enhances ease of use in high-throughput PCR workflows. Additionally, we developed software to support its automatic functions. Our results demonstrated that the specially engineered 96-Well Plate and HTGR can effectively squash fungal spores , which release enough genome DNA for PCR screening. The genome releaser facilitates the preparation of PCR-amplifiable genomic DNA substrate from 96 samples within minutes, eliminates the need for extraction buffers, and is adaptable to a wide range of microorganisms and cells, which could significantly advance biomanufacturing processes.
Archean sedimentary systems and crustal evolution
Current knowledge of preserved Archean sedimentary rocks suggests that they accumulated in at least three major depositional settings. These are represented generally by sedimentary units: (1) in early Archean, pre-3.0 Ga old greenstone belts, (2) on late Archean sialic cratons, and (3) in late Archean, post-3.0 Ga old greenstone belts. Research suggests that the Archean was characterized by at least two distinctive and largely diachronous styles of crustal evolution. Thick, stable early Archean simatic platforms, perhaps analogous to modern oceanic islands formed over hot spots, underwent a single cycle of cratonization to form stable continental blocks in the early Archean. Later formed Archean continents show a two stage evolution. The initial stage is reflected in the existence of older sialic material, perhaps representing incompletely cratonized areas or microcontinents of as yet unknown origin. During the second stage, late Archean greenstone belts, perhaps analogous to modern magmatic arcs or back arc basins, developed upon or adjacent to these older sialic blocks. The formation of this generation of Archean continents was largely complete by the end of the Archean. These results suggest that Archean greenstone belts may represent a considerable range of sedimentological and tectonic settings.
A study of space-rated connectors using a robot end-effector
The main research activities have been directed toward the study of the Robot Operated Materials Processing System (ROMPS), developed at GSFC under a flight project to investigate commercially promising in-space material processes and to design reflyable robot automated systems to be used in the above processes for low-cost operations. The research activities can be divided into two phases. Phase 1 dealt with testing of ROMPS robot mechanical interfaces and compliant device using a Stewart Platform testbed and Phase 2 with computer simulation study of the ROMPS robot control system. This report provides a summary of the results obtained in Phase 1 and Phase 2.
Fire Protection Materials
Avco has drawn upon its heat shield experience to develop a number of widely-accepted commercial fire protection materials. Originating from NASA's space shuttle thermal protection system, one such material is Chartek 59 fireproofing, an intumescent epoxy coating specifically designed for outdoor use by industrial facilities dealing with highly flammable products such as oil refineries and chemical plants. The coating is applied usually by spray gun to exterior structural steel conduits, pipes and valves, offshore platforms and liquefied petroleum gas tanks. Fireproofing provides two types of protection: ablation or dissipation of heat by burn-off and "intumescence" or swelling; the coating swells to about five times its original size, forming a protective blanket of char which retards transfer of heat to the metal structure preventing loss of structural strength and possible collapse which would compound the fire fighting problem.
Optical Coating Performance for Heat Reflectors of the JWST-ISIM Electronic Component
A document discusses a thermal radiator design consisting of lightweight composite materials and low-emittance metal coatings for use on the James Webb Space Telescope (JWST) structure. The structure will have a Thermal Subsystem unit to provide passive cooling to the Integrated Science Instrument Module (ISIM) control electronics. The ISIM, in the JWST observatory, is the platform that provides the mounting surfaces for the instrument control electronics. Dissipating the control electronic generated-heat away from JWST is of paramount importance so that the spacecraft s own heat does not interfere with the infrared-light gathering of distant cosmic sources. The need to have lateral control in the emission direction of the IEC (ISIM Electronics Compartment) radiators led to the development of a directional baffle design that uses multiple curved mirrorlike surfaces. This concept started out from the so-called Winston non-imaging optical concentrators that use opposing parabolic reflector surfaces, where each parabola has its focus at the opposite edge of the exit aperture. For this reason they are often known as compound parabolic concentrators or CPCs. This radiator system with the circular section was chosen for the IEC reflectors because it offers two advantages over other designs. The first is that the area of the reflector strips for a given radiator area is less, which results in a lower mass baffle assembly. Secondly, the fraction of energy emitted by the radiator strips and subsequently reflected by the baffle is less. These fewer reflections reduced the amount of energy that is absorbed and eventually re-emitted, typically in a direction outside the design emission range angle. A baffle frame holds the mirrors in position above a radiator panel on the IEC. Together, these will direct the majority of the heat from the IEC above the sunshield away towards empty space.
Mercury Detection Utilizing an Aquatic Animal as a Remote-Sensing Platform
Mercury species in open water, especially the accumulated methylmercury ion, pose a threat to fish and environment. Therefore, it is important to develop a small sensor package that can be integrated into a biotelemetry sensor carried by an aquatic animal, enhancing the ability to detect mercury contamination in large water areas. A quartz crystal microbalance (QCM) sensor using metal-organic framework (MOF) as sensing material was developed to detect mercury and methylmercury ions in real time based on acoustic wave perturbation. Thiol groups were introduced into the MOF UiO-66 through the organic linker to prepare the UiO-66-SH which was confirmed by infrared spectroscopy results. Batch adsorption experiments were conducted for the Hg 2+ , CH 3 Hg + , and Ca 2+ ions adsorption in the UiO-66-SH. The adsorption capacities of the mercury ions were more than an order of magnitude higher than those of the competing Ca 2+ ions at the same concentration. The frequency changes of the QCM sensor with the UiO-66-SH sensing film were an order of magnitude higher than those of the controlled baseline QCM sensor without a sensing film. Additionally, the frequency change can be tailored by adjusting the thickness of the MOF film and the adsorption properties of the sensing material. The sensor frequency change correlates well with ion adsorption capacities.
Heat pump water heater enhanced with phase change materials thermal energy storage: Modeling study
A promising solution to improve the first hour rating (FHR) of a heat pump water heater (HPWH) involves employing a secondary tank which contains phase change material (PCM) capsules. To better understand the influence of PCM thermal storage on the HPWH operational performance, a dynamic model was developed to simulate and analyze the behavior of a newly developed HPWH technology that incorporates PCM storage into a standard HPWH to optimize key parameters such as the uniform energy factor and FHR. Mathematical models of several key components of the proposed HPWH-PCM integrated thermal energy storage (TES) system, e.g., water heater tank, PCM TES tank, evaporator, compressor, and expansion valve, have been elaborated. Also, a model-based control co-simulation platform was developed to integrate a embed PCM storage HPWH dynamic model with a control model for better supporting control design, analysis, verification, and validation. The model accuracy has been validated through comparing simulation results with lab test results, with a mean average percentage error of <5.5% for most of the selected performance variables. In addition, using the developed co-simulation platform, the demand response control strategy was studied to evaluate the load flexibility of the combined HPWH-PCM storage system by shifting system power usage to outside of the 3.5 h peak load period.
Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange–correlation kernels
Time-dependent density functional theory within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the exchange–correlation (xc) kernels. Away from the long-wavelength (or q = 0 short wave-vector) and zero-frequency (ω = 0) limit, the correlation contribution to the kernel becomes more relevant and dominant over exchange. The dielectric function, in principle, can encompass xc effects relevant to describe low-density physics. Furthermore, besides collective plasmon excitations, the dielectric function can reveal collective electron–hole excitations, often dubbed “ghost excitons.” Besides collective excitons, the physics of the low-density regime is rich, as exemplified by a static charge-density wave that was recently found for r s > 69, and was shown to be associated with softening of the plasmon mode. These excitations are seen to be present in much higher density 2D homogeneous electron gases of r s ≳ 4. Here, in this work, we perform a thorough analysis with xc model kernels for excitations of various nature. The uniform electron gas, as a useful model of real metallic systems, is used as a platform for our analysis. We highlight the relevance of exact constraints as we display and explain screening and excitations in the low-density region.
Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1
ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.
Identifying crystal structures and chemical reactions at the interface of stanene on Bi 2 Te 3
Synthesizing monolayers and heterostructures is an enabling approach to extract new physical phenomena from bulk materials. Among the structures amenable to this approach is stanene, which is a monolayer of tin, similar to graphene, and has been predicted to host one-dimensional topological states at its edges. Stanene can be tuned by decorating with different adatoms, which makes it a promising platform on which to engineer topological devices. Here, we deposit Sn on Bi 2 Te 3 and characterize the growth using anomalous synchrotron x-ray scattering and x-ray photoelectron spectroscopy (XPS). X-ray diffraction data reveal the formation of epitaxial Sn-based structures, along with penetration of Sn into the Bi 2 Te 3 , with Sn intercalating between the upper 10 Bi 2 Te 3 quintuple layers. Additionally, XPS data show deposited Sn reacting to form SnTe and Bi at the Bi 2 Te 3 surface. The calculated heat of reaction for Sn and Bi2Te3 is consistent with an exothermic reaction to SnTe and Bi. Using thermodynamic calculations as a guide, we identify several candidate substrates that can stabilize the stanene phase.
Treatment and aging studies of GaAs(111)B substrates for van der Waals chalcogenide film growth
GaAs(111)B are commercially available substrates widely used for the growth of van der Waals chalcogenide films. Wafer-scale, high-quality crystalline films can be deposited on GaAs(111)B substrates using molecular beam epitaxy. However, two obstacles persist in the use of GaAs(111)B: first, the surface dangling bonds make it challenging for the growth of van der Waals materials; second, the As-terminated surface is prone to aging in air. This study investigated a thermal treatment method for deoxidizing GaAs(111)B substrates while simultaneously passivating the surface dangling bonds with Se. By optimizing the treatment parameters, we obtained a flat and completely deoxidized platform for subsequent film growth, with highly reproducible operations. Furthermore, through first-principle calculations, we find that the most energetically favorable surface of GaAs(111)B after Se passivation consists of 25% As atoms and 75% Se atoms. Finally, we discovered that the common storage method using food-grade vacuum packaging cannot completely prevent substrate aging, and even after thermal treatment, aging still affects subsequent growth. Therefore, we recommend using N2-purged containers for better preservation.