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At least 379 records · Page 21

FTIR instrumentation to monitor vapors from Shuttle tile waterproofing materials

The Space Shuttle Thermal Protection System (TPS) tiles and blankets are waterproofed using DimethylEthoxySilane (DMEX) in the Orbiter Processing Facilities (OPF). DMES has a Threshold Limit Value (TLV) for exposure of personnel to vapor concentration in air of 0.5 ppm. The OPF high bay cannot be opened for normal work after a waterproofing operation until the DMES concentration is verified by measurement to be below the TLV. On several occasions the high bay has been kept closed for up to 8 hours following waterproofing operations due to high DMES measurements. In addition, the Miran 203 and Miran 1 BX infrared analyzers calibrated at different wavelengths gave different readings under the same conditions. There was reason to believe that some of the high DMES concentration readings were caused by interference form water and ethanol vapors. The Toxic Vapor Detection Laboratory (TVDL) was asked to test the existing DMES instruments and identify the best qualified instrument. In addition the TVDL was requested to develop instrumentation to ensure the OPF high bay could be opened safely as soon as possible after a waterproofing operation. A Fourier Transform Infrared (FTIR) spectrophotometer instrument developed for an earlier project was reprogrammed to measure DMES vapor along with ethanol, water, and several common solvent vapors. The FTIR was then used to perform a series of laboratory and field tests to evaluate the performance of the single wavelength IR instruments in use. The results demonstrated that the single wavelength IR instruments did respond to ethanol and water vapors, more or less depending on the analytical IR wavelength selected. The FTIR was able to separate the responses to DMES, water and ethanol, and give consistent readings for the DMES vapor concentration. The FTIR was then deployed to the OPF to monitor real waterproofing operations. The FTIR was also used to measure the time for DMES to evaporate from TPS tile under a range of humidity conditions in controlled laboratory tests. The combination of laboratory and field tests with the FTIR instrument demonstrated superior sensitivity, ability to reject interference from water and ethanol vapors, ruggedness to be transported from the lab to the OPF and set up without special procedures or degradation of performance. The multiple component vapor analysis algorithm was developed at KSC and incorporates automatic baseline correction and shape fitting of the spectra. The analysis for DMES, TetraMethylDiSiloxane (TMDS), ethanol, methanol, isopropanol, and baseline parameters uses 161 points per sample at 4 cm(exp -1) resolution, and processes an eight scan sample every ten seconds. The standard deviation of the measurements is 0.013 ppm and the upper linear limit is 125 ppm DMES. Based on successful demonstration of capabilities we produced three mobile instrument carts to be used in each OPF to support future waterproofing operations. The design and building of the 'DMES Carts' were accomplished in Fiscal year 1995.

Mattson, C. B.↗

RECOVER: An Automated Cloud-Based Decision Support System for Post-fire Rehabilitation Planning

RECOVER is a site-specific decision support system that automatically brings together in a single analysis environment the information necessary for post-fire rehabilitation decision-making. After a major wildfire, law requires that the federal land management agencies certify a comprehensive plan for public safety, burned area stabilization, resource protection, and site recovery. These burned area emergency response (BAER) plans are a crucial part of our national response to wildfire disasters and depend heavily on data acquired from a variety of sources. Final plans are due within 21 days of control of a major wildfire and become the guiding document for managing the activities and budgets for all subsequent remediation efforts. There are few instances in the federal government where plans of such wide-ranging scope and importance are assembled on such short notice and translated into action more quickly. RECOVER has been designed in close collaboration with our agency partners and directly addresses their high-priority decision-making requirements. In response to a fire detection event, RECOVER uses the rapid resource allocation capabilities of cloud computing to automatically collect Earth observational data, derived decision products, and historic biophysical data so that when the fire is contained, BAER teams will have a complete and ready-to-use RECOVER dataset and GIS analysis environment customized for the target wildfire. Initial studies suggest that RECOVER can transform this information-intensive process by reducing from days to a matter of minutes the time required to assemble and deliver crucial wildfire-related data.

cloud computing↗

Two VHH Antibodies Neutralize Botulinum Neurotoxin E1 by Blocking Its Membrane Translocation in Host Cells

Botulinum neurotoxin serotype E (BoNT/E) is one of the major causes of human botulism, which is a life-threatening disease caused by flaccid paralysis of muscles. After receptor-mediated toxin internalization into motor neurons, the translocation domain (HN) of BoNT/E transforms into a protein channel upon vesicle acidification in endosomes and delivers its protease domain (LC) across membrane to enter the neuronal cytosol. It is believed that the rapid onset of BoNT/E intoxication compared to other BoNT serotypes is related to its swift internalization and translocation. We recently identified two neutralizing single-domain camelid antibodies (VHHs) against BoNT/E1 termed JLE-E5 and JLE-E9. Here, we report the crystal structures of these two VHHs bound to the LCHN domain of BoNT/E1. The structures reveal that these VHHs recognize two distinct epitopes that are partially overlapping with the putative transmembrane regions on HN, and therefore could physically block membrane association of BoNT/E1. This is confirmed by our in vitro studies, which show that these VHHs inhibit the structural change of BoNT/E1 at acidic pH and interfere with BoNT/E1 association with lipid vesicles. Therefore, these two VHHs neutralize BoNT/E1 by preventing the transmembrane delivery of LC. Furthermore, structure-based sequence analyses show that the 3-dimensional epitopes of these two VHHs are largely conserved across many BoNT/E subtypes, suggesting a broad-spectrum protection against the BoNT/E family. In summary, this work improves our understanding of the membrane translocation mechanism of BoNT/E and paves the way for developing VHHs as diagnostics or therapeutics for the treatment of BoNT/E intoxication.

60 APPLIED LIFE SCIENCES↗

In situ high-temperature Raman spectroscopy for online EAF slag analysis

Real-time monitoring of slag chemistry is critical for optimizing Electric Arc Furnace (EAF) steelmaking operations, where dynamic variations in slag composition directly influence slag foaming, refractory degradation, and thermal efficiency. Conventional techniques such as X-ray fluorescence (XRF), Fourier-transform infrared (FTIR), and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDS) are commonly used to analyze slag composition, but their offline nature and equipment constraints limit their applicability for online monitoring in harsh industrial environments. To address this challenge, we present an in situ, high-temperature analytical approach that integrates Raman spectroscopy with a custom designed fiber-optic probe for real-time slag characterization at 1550 °C. The system enables non destructive spectral acquisition from molten slags, providing molecular-level insights into silicate polymerization and iron oxidation states. Eight synthetic slag samples were evaluated, and key Raman features—such as Q n silicate units and FeO₄/FeO₆ coordination environments—were identified and quantitatively correlated with slag basicity and Fe₂O₃ content. The results demonstrate agreement between Raman spectral ratios and bulk slag chemistry, validating the method’s capability to track compositional and structural changes under molten temperature. This work establishes the feasibility of deploying fiber-optic Raman probe for online EAF slag monitoring and highlights their potential to support closed-loop control strategies, thereby enhancing process stability, refractory protection, and steel quality in industrial steelmaking applications.

47 OTHER INSTRUMENTATION↗

Investigation of Stacking Fault and Antiphase Boundary Segregation in Ni-Based Superalloys Using Density Functional Theory

Ni-base superalloys have a long history of use in jet turbine engines, and efforts to improve their performance in that application are ongoing. It is known that the precipitation of the Ni3Al γ' phase within the disordered FCCγ phase strengthens the overall material. However, in the high-temperature environment found inside a turbine engine during operation, creep can cause the γ' phase to transform to different, weaker phases along stacking faults, leading to a deterioration of performance. In the γ' phase one mode of creep deformation is the formation of stacking fault ribbons, which consist of intrinsic stacking faults further shearing into antiphase boundaries (APBs). It is also known that certain alloying additions exhibit segregation to stacking faults. If segregating elements could be identified which segregate to the intrinsic stacking fault, but not to the APB, the inclusion of such elements could lead to improved creep strength in these alloys. To investigate this possibility, a density functional investigation of the segregation of W, Mo and Cr to both a superlattice intrinsic stacking fault (SISF) and an APB was performed. It was found that W, Mo and Cr all exhibit segregation to the SISF. In contrast, for the APB, Cr was either energy-neutral, or segregates, depending on the presence of additional nearby Cr, or on the specific lattice site upon which it was placed, while Mo and W did not segregate. Because W and Mo segregate to the SISF but not to the APB, the inclusion of these elements could provide a degree of protection against creep-related deterioration.

Good, Brian S.↗

Design Concept for a Reusable/Propellantless MXER Tether Space Transportation System

The Momentum Exchange/Electrodynamic Reboost (MXER) tether facility is a transformational concept that significantly reduces the fuel requirements (and associated costs) in transferring payloads above low earth orbit (LEO). Facility reboost is accomplished without propellant by driving current against a voltage created by a conducting tether's interaction with the Earth's magnetic field (electrodynamic reboost). This system can be used for transferring a variety of payloads (scientific, cargo, and human space vehicles) to multiple destinations including geosynchronous transfer orbit, the Moon or Mars. MXER technology advancement requires development in two key areas: survivable, high tensile strength non-conducting tethers and reliable, lightweight payload catch/release mechanisms. Fundamental requirements associated with the MXER non-conducting strength tether and catch mechanism designs will be presented. Key requirements for the tether design include high specific-strength (tensile strength/material density), material survivability to the space environment (atomic oxygen and ultraviolet radiation), and structural survivability to micrometeoroid/orbital debris (MM/OD) impacts. The driving mechanism key,gequirements include low mass-to-capture-volume ratio, positional and velocity error tolerance, and operational reliability. Preliminary tether and catch mechanism design criteria are presented, which have been used as guidelines to "screen" and down-select initial concepts. Candidate tether materials and protective coatings are summarized along with their performance in simulated space environments (e.g., oxygen plasma, thermal cycling). A candidate catch mechanism design concept is presented along with examples of demonstration hardware.

McCandless, B., II↗

Diagonal entropy and topological phase transitions in extended Kitaev chains

We investigate the diagonal entropy for ground states of the extended Kitaev chains with extensive pairing and hopping terms. The systems contain rich topological phases equivalently represented by topological invariant winding numbers and Majorana zero modes. Both the finite size scaling law and block scaling law of the diagonal entropy are studied, which indicates that the diagonal entropy demonstrates volume effect. The parameter of volume term is regarded as the diagonal entropy density, which can identify the critical points of symmetry-protected topological phase transitions efficiently in the studied models, even for those with higher winding numbers. The formulation of block scaling law and the capability of diagonal entropy density in detecting topological phase transitions are independent of the chosen bases. In order to manifest the advantage of diagonal entropy, we also calculate the global entanglement, which cannot show clear signatures of the topological phase transitions. This work provides a new quantum-informatic approach to characterize the feature of the topologically ordered states and may motivate a deep understanding of the quantum coherence and diagonal entropy in various condensed matter systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Friction Stir Welding Development at NASA, Marshall Space Flight Center

Friction stir welding (FSW) is a solid state process that pan be used to join materials without melting. The process was invented by The Welding Institute (TWI), Cambridge, England. Friction stir welding exhibits several advantages over fusion welding in that it produces welds with fewer defects and higher joint efficiency and is capable of joining alloys that are generally considered non-weldable with a fusion weld process. In 1994, NASA-Marshall began collaborating with TWI to transform FSW from a laboratory curiosity to a viable metal joining process suitable for manufacturing hardware. While teamed with TWI, NASA-Marshall began its own FSW research and development effort to investigate possible aerospace applications for the FSW process. The work involved nearly all aspects of FSW development, including process modeling, scale-up issues, applications to advanced materials and development of tooling to use FSW on components of the Space Shuttle with particular emphasis on aluminum tanks. The friction stir welding process involves spinning a pin-tool at an appropriate speed, plunging it into the base metal pieces to be joined, and then translating it along the joint of the work pieces. In aluminum alloys the rotating speed typically ranges from 200 to 400 revolutions per minute and the translation speed is approximately two to five inches per minute. The pin-tool is inserted at a small lead angle from the axis normal to the work piece and requires significant loading along the axis of the tool. An anvil or reaction structure is required behind the welded material to react the load along the axis of the pin tool. The process requires no external heat input, filler material, protective shielding gas or inert atmosphere typical of fusion weld processes. The FSW solid-state weld process has resulted in aluminum welds with significantly higher strengths, higher joint efficiencies and fewer defects than fusion welds used to join similar alloys.

McGill, Preston↗

BrzostekEcologyLab/CORPSE-soil-jars

Efforts to manage soils for carbon (C) sequestration remain limited by our understanding of how differences in plant traits and microbial traits mechanistically drive soil organic C (SOC) storage. Addressing this uncertainty is particularly critical in bioenergy agriculture, due to its potential to enhance soil C and provide a C neutral fuel. As such, we examined differences between two contrasting feedstocks, Zea mays (corn) and Miscanthus x giganteus (miscanthus), in the ability of their litter to form new chemically resistant particulate SOC vs. physically protected mineral associated SOC and used this data to improve the parameterization of a microbial SOC model. We tested a hypothesized conceptual model whereby easy to decompose corn litters drive greater microbial carbon use efficiency (CUE) and the formation of more mineral associated SOC over particulate SOC than more complex miscanthus litters. To do this, we performed a soil microcosm experiment where we added 13C enriched aboveground and belowground litters to soils and traced the fate of the 13C into microbial respiration and SOC pools. We found that corn litters promoted higher microbial CUE (0.37) than miscanthus litters (0.24). In turn, corn litter formed approximately 50% more mineral associated SOC than miscanthus litters. Similarly, structurally complex root litters promoted a lower CUE and formed less mineral associated SOC than leaf and shoot litters for both crops. When we used our data to parameterize the SOC model, we found that modeling microbial trait differences uniquely allowed the model to capture the fate of litter C in SOC. Collectively, we found a robust link between litter quality, microbial efficiency, and the formation of SOC. This link bridges the empirical uncertainty in how different crops can form new soil C and provides an empirical basis for modeling SOC transformations.

Ridgeway, Joanna↗

Plant litter traits control microbial decomposition and drive soil carbon stabilization

Efforts to manage soils for carbon (C) sequestration remain limited by our understanding of how differences in plant traits and microbial traits mechanistically drive soil organic C (SOC) storage. Addressing this uncertainty is particularly critical in bioenergy agriculture, due to its potential to enhance soil C and provide a C neutral fuel. As such, we examined differences between two contrasting feedstocks, Zea mays (corn) and Miscanthus x giganteus (miscanthus), in the ability of their litter to form new chemically resistant particulate SOC vs. physically protected mineral associated SOC and used this data to improve the parameterization of a microbial SOC model. We tested a hypothesized conceptual model whereby easy to decompose corn litters drive greater microbial carbon use efficiency (CUE) and the formation of more mineral associated SOC over particulate SOC than more complex miscanthus litters. To do this, we performed a soil microcosm experiment where we added 13 C enriched aboveground and belowground litters to soils and traced the fate of the 13 C into microbial respiration and SOC pools. We found that corn litters promoted higher microbial CUE (0.37) than miscanthus litters (0.24). In turn, corn litter formed approximately 50% more mineral associated SOC than miscanthus litters. Similarly, structurally complex root litters promoted a lower CUE and formed less mineral associated SOC than leaf and shoot litters for both crops. When we used our data to parameterize the SOC model, we found that modelling microbial trait differences uniquely allowed the model to capture the fate of litter C in SOC. Collectively, we found a robust link between litter quality, microbial efficiency, and the formation of SOC. This link bridges the empirical uncertainty in how different crops can form new soil C and provides an empirical basis for modelling SOC transformations.

59 BASIC BIOLOGICAL SCIENCES↗

Potential applications of microbial genomics in nuclear non-proliferation

As nuclear technology evolves in response to increased demand for diversification and decarbonization of the energy sector, new and innovative approaches are needed to effectively identify and deter the proliferation of nuclear arms, while ensuring safe development of global nuclear energy resources. Preventing the use of nuclear material and technology for unsanctioned development of nuclear weapons has been a long-standing challenge for the International Atomic Energy Agency and signatories of the Treaty on the Non-Proliferation of Nuclear Weapons. Environmental swipe sampling has proven to be an effective technique for characterizing clandestine proliferation activities within and around known locations of nuclear facilities and sites. However, limited tools and techniques exist for detecting nuclear proliferation in unknown locations beyond the boundaries of declared nuclear fuel cycle facilities, representing a critical gap in non-proliferation safeguards. Microbiomes, defined as “characteristic communities of microorganisms” found in specific habitats with distinct physical and chemical properties, can provide valuable information about the conditions and activities occurring in the surrounding environment. Microorganisms are known to inhabit radionuclide-contaminated sites, spent nuclear fuel storage pools, and cooling systems of water-cooled nuclear reactors, where they can cause radionuclide migration and corrosion of critical structures. Microbial transformation of radionuclides is a well-established process that has been documented in numerous field and laboratory studies. These studies helped to identify key bacterial taxa and microbially-mediated processes that directly and indirectly control the transformation, mobility, and fate of radionuclides in the environment. Expanding on this work, other studies have used microbial genomics integrated with machine learning models to successfully monitor and predict the occurrence of heavy metals, radionuclides, and other process wastes in the environment, indicating the potential role of nuclear activities in shaping microbial community structure and function. Results of this previous body of work suggest fundamental geochemical-microbial interactions occurring at nuclear fuel cycle facilities could give rise to microbiomes that are characteristic of nuclear activities. These microbiomes could provide valuable information for monitoring nuclear fuel cycle facilities, planning environmental sampling campaigns, and developing biosensor technology for the detection of undisclosed fuel cycle activities and proliferation concerns.

59 BASIC BIOLOGICAL SCIENCES↗

Hurricanes and turbulent floods threaten arsenic-contaminated coastal soils and vulnerable communities

Coastal environments, particularly those adjacent to Superfund sites, are at increased risk of contaminant release during natural disasters, posing serious threats to nearby communities. To investigate this issue, we employed an advanced laboratory flood simulator to impose arsenic-contaminated sediments to turbulent flooding events. We further monitored changes in arsenic collocation and solid-phase speciation using advanced synchrotron radiation-based techniques to understand the impacts of flooding on arsenic mobility. Our results demonstrate that turbulent conditions significantly enhance the resuspension of arsenic-rich sediments, resulting in increased arsenic release into the water. This mobilization is driven by the erosion of the reduced sediments and the redox-mediated transformation and dissolution of Fe and Mn (oxyhydr) oxides, which promote the release of As(III). We found that arsenic speciation on resuspended particles is closely tied to shear stress, with As(V) prevailing at low stress and the more toxic As(III) dominating at higher stress levels. In the post-erosion phase, solid-phase As(III) decreased while dissolved As(III) increased, indicating ongoing desorption. The persistence of multiple arsenic species on resuspended particles marks them as potential long-range transport vectors. Thus, the environmental impact of flooding and sediment resuspension extends beyond the event itself, raising longer-term concerns for arsenic mobility. Our comprehensive geospatial analysis revealed substantial overlap between arsenic-contaminated soils and regions at high risk of flooding and hurricanes across the conterminous United States. This overlap disproportionately impacts economically disadvantaged and marginalized communities. Approximately 40 million Americans reside within 10 kilometers of these high-risk contaminated zones, with nearly 28 million exposed to hurricane threats and around 18 million vulnerable to flooding risks. Alarmingly, over 40% of those affected by hurricanes and 33% of those impacted by flooding belong to underrepresented minority and low-income populations. These findings highlight the urgent need for targeted mitigation strategies to protect public health and address environmental justice concerns.

54 ENVIRONMENTAL SCIENCES↗

Development of Head Injury Assessment Reference Values Based on NASA Injury Modeling

NASA is developing a new capsule-based, crewed vehicle that will land in the ocean, and the space agency desires to reduce the risk of injury from impact during these landings. Because landing impact occurs for each flight and the crew might need to perform egress tasks, current injury assessment reference values (IARV) were deemed insufficient. Because NASCAR occupant restraint systems are more effective than the systems used to determine the current IARVs and are similar to NASA s proposed restraint system, an analysis of NASCAR impacts was performed to develop new IARVs that may be more relevant to NASA s context of vehicle landing operations. Head IARVs associated with race car impacts were investigated by completing a detailed analysis of all of the 2002-2008 NASCAR impact data. Specific inclusion and exclusion criteria were used to select 4071 impacts from the 4015 recorder files provided (each file could contain multiple impact events). Of the 4071 accepted impacts, 274 were selected for numerical simulation using a custom NASCAR restraint system and Humanetics Hybrid-III 50th percentile numerical dummy model in LS-DYNA. Injury had occurred in 32 of the 274 selected impacts, and 27 of those injuries involved the head. A majority of the head injuries were mild concussions with or without brief loss of consciousness. The 242 non-injury impacts were randomly selected and representative of the range of crash dynamics present in the total set of 4071 impacts. Head dynamics data (head translational acceleration, translational change in velocity, rotational acceleration, rotational velocity, HIC-15, HIC-36, and the Head 3ms clip) were filtered according to SAE J211 specifications and then transformed to a log scale. The probability of head injury was estimated using a separate logistic regression analysis for each log-transformed predictor candidate. Using the log transformation constrains the estimated probability of injury to become negligible as IARVs approach zero. For the parameters head translational acceleration, head translational velocity change, head rotational acceleration, HIC-15, and HIC-36, conservative values (in the lower 95% confidence interval) that gave rise to a 5% risk of any injury occurring were estimated as 40.0 G, 7.9 m/s, 2200 rad/s2, 98.4, and 77.4 respectively. Because NASA is interested in the consequence of any particular injury on the ability of the crew to perform egress tasks, the head injuries that occurred in the NASCAR dataset were classified according to a NASA-developed scale (Classes I - III) for operationally relevant injuries, which classifies injuries on the basis of their operational significance. Additional analysis of the data was performed to determine the probability of each injury class occurring, and this was estimated using an ordered probit model. For head translational acceleration, head translational velocity change, head rotational acceleration, head rotational velocity, HIC-36, and head 3ms clip, conservative values of IARVs that produced a 5% risk of Class II injury were estimated as 50.7 G, 9.5 m/s, 2863 rad/s2, 11.0 rad/s, 30.3, and 46.4 G respectively. The results indicate that head IARVs developed from the NASCAR dataset may be useful to protect crews during landing impact.

Somers, Jeffrey T.↗

Draft Methodology for Cybersecurity Analysis for Adoption of Wireless Technology in Nuclear Power Plants

The report is delivered as DOE-NE Cybersecurity Program Milestone M2CT-22IN1104014-Industry cybersecurity guidance adoption status. The milestone is specifically to document the process and the status of the efforts towards developing guidance in support of industry’s adoption of wireless communication technologies. To transform the operation of nuclear power plants, including domestic light-water reactors, advanced reactors, microreactors, and fission battery, for grid and non-grid applications, secure and resilient wireless capabilities are required. In addition, to realize new operational concepts such as autonomous operation and remote monitoring, advanced sensor, and instrumentation, wireless technology is essential. However, industry implementation is low, and there is no technical basis for how to understand and address potential risks for wireless communications for critical plant functions. A methodology with a technical basis for implementing secure wireless communication is crucial. This wireless adoption methodology is intended to assist a licensee in identifying an appropriate technological approach for securing wireless communications in nuclear power plant. However, this methodology does not provide guidance for addressing wireless design criteria or for addressing all the cybersecurity commitments in licensees’ cybersecurity plans (CSPs) including addressing security impact analysis that a licensee must perform before an update to a Critical Digital Asset (CDA). This methodology guides a licensee through a process of evaluating a proposed wireless implementation and drafting a plant change notification for an example use case. The example is a generic/nonproprietary version of the first test case of the methodology, which, if successfully implemented, is part of the consideration for protecting other functions’ use of wireless in a cybersecure manner.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Responsibly Harnessing the Power of AI

Artificial Intelligence (AI) based applications are on the cusp of offering the public and private sectors tools of tremendous potential that will likely transform the world in much the same way that previous technological revolutions have. To harness these tools, a vast and rapidly increasing assortment of ethical AI guidelines and principles are being developed to manage the myriad of risks these tools pose. Documents, frameworks, standards, and regulations have been developed by private industry, research institutions, governments and nongovernmental organizations, international standards bodies and more. This work details representative approaches to ethically developing, managing, and operating current AI technologies. The various approaches are analyzed for commonality, divergence, and implementation strategy to help develop approaches for managing AI tools in the nuclear landscape. This work will support the creation of a common vocabulary and a deeper understanding of the ethical/ responsible AI landscape and advance the considerations required for structured frameworks in the international safeguards domain.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

UNLOQ: UNderstanding coherence in Light-matter interfaces for Quantum Science (Final Technical Report)

The general goal of this project is to prepare next-generation quantum systems for novel quantum information science applications. Decades of research on quantum optics have provided revolutionary systems for manipulating atomic and photonic quantum coherence in transformative ways. Our hypothesis is that the next-generation quantum systems will come from nano-molecular quantum optics. Specifically, we are interested in coupling the electronic states of molecules or nanoparticles to the quantized radiation field inside an optical cavity to create a set of new photon-matter hybrid excitations, called polaritons. As opposed to atoms, the vibrational modes of molecules and nanoparticles provide new degrees of freedom to mediate the quantum transduction between electronic and photonic states, offering new ways to tune and ultimately control the quantum coherence of the integrated system. In this project we are interested in designing, fabricating, and characterizing the polaritons that arise from coupling CdSe nanoplatelets (NPLs) to a Fabry-Pérot optical cavity. Specific attention was paid to parameters of the system (cavity mode volume, quality factor, etc.) that would maximize the collective coupling strength. Through a combined theoretical and experimental approach, we were able to make important contributions to understanding NPL exciton-polariton photophysics including how to use cavity loss as a tunable parameter in order to manipulate the populations of the upper and lower polariton states. Finally, using state-of-the-art theoretical methods, we were able to show how the collective coupling of many molecular excitons in a cavity can protect polariton coherence from vibrationally-induced decoherence. In particular, for NPL-cavity polaritonic systems, the quantum coherence can be extended by over an order of magnitude at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insoluble coatings for Stirling engine heat pipe condenser surfaces

The work done by Thermacore, Inc., Lancaster, Pennsylvania, for the Phase 1, 1992 SBIR National Aeronautics and Space Administration Contract, 'Insoluble Coatings for Stirling Engine Heat Pipe Condenser Surfaces' is described. The work was performed between January 1992 and July 1992. Stirling heat engines are being developed for electrical power generation use on manned and unmanned earth orbital and planetary missions. Dish Stirling solar systems and nuclear reactor Stirling systems are two of the most promising applications of the Stirling engine electrical power generation technology. The sources of thermal energy used to drive the Stirling engine typically are non-uniform in temperature and heat flux. Liquid metal heat pipe receivers are used as thermal transformers and isothermalizers to deliver the thermal energy at a uniform high temperature to the heat input section of the Stirling engine. The use of a heat pipe receiver greatly enhances system efficiency and potential life span. One issue that is raised during the design phase of heat pipe receivers is the potential solubility corrosion of the Stirling engine heat input section by the liquid metal working fluid. This Phase 1 effort initiated a program to evaluate and demonstrate coatings, applied to nickel based Stirling engine heater head materials, that are practically 'insoluble' in sodium, potassium, and NaK. This program initiated a study of nickel aluminide as a coating and developed and demonstrated a heat pipe test vehicle that can be used to test candidate materials and coatings. Nickel 200 and nickel aluminide coated Nickel 200 were tested for 1000 hours at 800 C at a condensation heat flux of 25 W/sq cm. Subsequent analyses of the samples showed no visible sign of solubility corrosion of either coated or uncoated samples. The analysis technique, photomicrographs at 200X, has a resolution of better than 2.5 microns (.0001 in). The results indicate that the heat pipe environment is not directly comparable to liquid metal pumped loop data, that nickel aluminide is still a leading candidate for solubility corrosion protection, and that longer duration tests are required to reach a definitive conclusion whether coatings are required at all. Should further testing be required, the test vehicle and analytical tools were developed.

Dussinger, Peter M.↗

High-temperature active oxidation of nanocrystalline silicon-carbide: A reactive force-field molecular dynamics study

Flexible woven SiC ceramics are prone to accelerated fiber embrittlement under high temperature oxidation in dynamic oxygen environments. The nanocrystalline structure of the constituent fibers impacts the reaction kinetics and phase transformations during active oxidation. However, fundamental understanding and quantification of grain boundary effects on oxidation behavior in nanocrystalline SiC remain elusive when temperatures exceed 1500 K. This study deploys large-scale molecular dynamics simulations with a reactive force-field to elucidate the complex roles of atomic oxygen reservoir conditions and grain size on oxidation kinetics and the nature of oxides produced in both monocrystalline and nanocrystalline 3C-SiC between 1100 K and 2000 K. The simulations with dynamically replenished oxygen provide good agreement with oxidation kinetics and activation energies for the monocrystalline Si(100) and C(100) orientations published in the available literature. This study reveals that, by contrast, nanocrystalline SiC samples exhibit two distinct oxidation kinetics with a transition point at 1500 K due to surface melting, which is supported by experimental evidence. The introduction of a grain-boundary network produces a two-fold decrease in oxidation activation energies compared to monocrystalline SiC below 1500 K. Above 1500 K, however, the activation energies rise substantially due to the formation of a liquid Si phase at the SiC/Si oxide interface. Further, it is shown that the stability of the interfacial liquid phase is promoted by incoherent grain boundaries in the crystalline SiC. These findings are important for the deployment of nanocrystalline SiC fibers in advanced thermal protection systems for high-temperature applications.

36 MATERIALS SCIENCE↗