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Robotics

Earth's upper atmosphere is an extreme environment: dry, cold, and irradiated. It is unknown whether our aerobiosphere is limited to the transport of life, or there exist organisms that grow and reproduce while airborne (aerophiles); the microenvironments of suspended particles may harbor life at otherwise uninhabited altitudes[2]. The existence of aerophiles would significantly expand the range of planets considered candidates for life by, for example, including the cooler clouds of a hot Venus-like planet. The X project is an effort to engineer a robotic exploration and biosampling payload for a comprehensive survey of Earth's aerobiology. While many one-shot samples have been retrieved from above 15 km, their results are primarily qualitative; variations in method confound comparisons, leaving such major gaps in our knowledge of aerobiology as quantification of populations at different strata and relative species counts[1]. These challenges and X's preliminary solutions are explicated below. X's primary balloon payload is undergoing a series of calibrations before beginning flights in Spring 2012. A suborbital launch is currently planned for Summer 2012. A series of ground samples taken in Winter 2011 is being used to establish baseline counts and identify likely background contaminants.

Rothschild, Lynn J.↗

Risk of Impaired Control of Spacecraft/Associated Systems and Decreased Mobility Due to Vestibular/Sensorimotor Alterations Associated with Space flight

Control of vehicles and other complex systems is a high-level integrative function of the central nervous system (CNS). It requires well-functioning subsystem performance, including good visual acuity, eye-hand coordination, spatial and geographic orientation perception, and cognitive function. Evidence from space flight research demonstrates that the function of each of these subsystems is altered by removing gravity, a fundamental orientation reference, which is sensed by vestibular, proprioceptive, and haptic receptors and used by the CNS for spatial orientation, posture, navigation, and coordination of movements. The available evidence also shows that the degree of alteration of each subsystem depends on a number of crew- and mission-related factors. There is only limited operational evidence that these alterations cause functional impacts on mission-critical vehicle (or complex system) control capabilities. Furthermore, while much of the operational performance data collected during space flight has not been available for independent analysis, those that have been reviewed are somewhat equivocal owing to uncontrolled (and/or unmeasured) environmental and/or engineering factors. Whether this can be improved by further analysis of previously inaccessible operational data or by development of new operational research protocols remains to be seen. The true operational risks will be estimable only after we have filled the knowledge gaps and when we can accurately assess integrated performance in off-nominal operational settings (Paloski et al. 2008). Thus, our current understanding of the Risk of Impaired Control of Spacecraft/Associated Systems and Decreased Mobility Due to Vestibular/Sensorimotor Alterations Associated with Space flight is limited primarily to extrapolation of scientific research findings, and, since there are limited ground-based analogs of the sensorimotor and vestibular changes associated with space flight, observation of their functional impacts is limited to studies performed in the space flight environment. Fortunately, many sensorimotor and vestibular experiments have been performed during and/or after space flight missions since 1959 (Reschke et al. 2007). While not all of these experiments were directly relevant to the question of vehicle/complex system control, most provide insight into changes in aspects of sensorimotor control that might bear on the physiological subsystems underlying this high-level integrated function.

Bloomberg, Jacob J.↗

Demonstrating the Promise and Problems for Open Science in Heliophysics

The recent push towards open science comes with a new set of problems to address. The additional work required to align a project with even the concepts of open science is at best problematic and typically not reasonably possible. The issue is further complicated by the lack of supporting infrastructure for the requirements of open science. We present the first executable paper in heliophysics as an example of how a collaboration between scientists, software developers, and software engineers can streamline the research process. This novel approach to science enables the science result to more easily adhere to the concepts of open science through the application of technology from inception to publication. We also use this paper to demonstrate gaps in our infrastructure that currently prevent progress in our pursuit of open science. This presentation is meant to initiate discussions of the methods and gaps presented, and we hope the discussion will be productive.

infrastructure↗

Computational Study of Low-Speed Boundary-Layer Laminar-Turbulent Transition over a 30º Swept Plate in a Channel

Reliable boundary-layer laminar-turbulent transition predictions are critical for the design of aircraft that use natural or controlled laminar flow to achieve low drag and better fuel efficiency. During cruise flight through low turbulence, the three-dimensional boundary layer over swept surfaces can transition prematurely due to stationary crossflow instabilities induced by surface roughness. Parabolized stability equations analyses have been successfully used to explain the different phases of the transition process under well controlled perturbations such as steps or discrete roughness elements. However, methodologies are still lacking to model the boundary layer receptivity to distributed random roughness, and the following non-linear instability stages leading to transition. For engineering applications, several semi-empirical methods based on linear amplification factors or local helicity have found growing adoption, but their reliability is limited by their level of simplification and the sparsity of data they are based on. To address this gap, a new study of the effect of distributed random surface roughness on crossflow transition was started, using a 30◦ swept plate as a test vehicle. The plate, which is mounted in the 2 Foot × 3 Foot Low-Speed Boundary-Layer Channel at the NASA Langley Research Center, has been tested with micro-scale roughness of varied geometry near the leading edge. In order to analyze the flow in the test section and prepare Direct Numerical Simulations with resolved roughness, Reynolds-Averaged Navier-Stokes (RANS) simulations of the flow over the plate installed in the wind tunnel test section were performed using the Langtry-Menter transition model with stationary crossflow extension. This paper presents the results of these simulations, with comparison to the experiment.

ARMD↗

Conclusion

This compilation of papers in this book represents approximately half of the works discussed at the MS&T 2010 symposium entitled Tools, Models, Databases, and Simulation Tools Developed and Needed to Realize the Vision of Integrated Computational Materials Engineering at Materials Science & Technology wherein five sessions comprised of 33 presentations was organized. The goal of the symposium was two fold To provide a forum in which current state-of-the-art methods for ICME (e.g., information informatics, experimentation, and modeling) could be openly discussed and critiqued by not only materials scientist but also structural engineers/researchers, component designers, industrial leaders and government program managers. To leave the symposium and in particular the panel discussion with a clear idea of the gaps and barriers (both technical, cultural and economical) that must be addressed in order for ICME to fully succeed. The organizers felt that these goals were met, as particularly evident by the standing room only attendance during a lively panel discussion session at the end of the Symposium. However it is the firm belief of the editors of this book that this symposium was merely a start in the right direction, and that subsequent conferences/symposium (e.g., First World Congress on Integrated Computational Materials Engineering to be held July 10-14, 2011 at Seven Springs Mountain Resort in Pennsylvania) must work hard to ensure that a truly diverse, multidisciplinary, community of researchers and practitioners are present and have ample opportunity for interaction. This will ensure that a proper balance between push and pull disciplines and technologies is maintained so that this emerging focus area, Integrated Computational Materials Engineering (ICME), has the greatest potential for success and impact on "system-level" payoffs. Similarly, a pro-active approach is required to reform historical modes of operation in industry, government and the academic sectors so as to facilitate multidisciplinary collaboration and to clearly articulate the vision and scope of ICME.

Arnold, Steven M.↗

Initiation of Flash Boiling of Multicomponent Miscible Mixtures with Application to Transportation Fuels and Their Surrogates

This paper presents methodologies to predict thermodynamic conditions that initiate flash boiling by spontaneous nucleation of liquids consisting of hundreds of miscible liquids and their lower order surrogate mixtures. The methods are illustrated with a kerosene-based fuel and a seven-component surrogate for it. The predictions are compared to measurements of nucleation temperatures obtained from a pulse-heating technique that rapidly heats a microscale platinum film immersed in a pool of the test fluid. Nucleation temperatures are predicted using a generalized corresponding states principle (GCSP), and a modification of classical nucleation theory that considers the mixture as a pseudo single component fluid (PSCF). The intent is to offer a simple means to predict the initiation of flash boiling that can have important consequences for fuel efficiency in combustion engines. We show that contact angle has a strong effect such that predicted and measured spontaneous nucleation temperatures agree for a given heating rate only if contact angle is accounted for in the theory. For low heating rates (less than 2 × 10 7 K/s), predicted nucleation temperatures, assuming a spherical bubble, are 13% higher than measurements. The gap is closed to about 6% as the heating rate reaches 3 × 10 8 K/s (the highest that could be reached in the experiments) and to less than 1% when the measured nucleation temperature is extrapolated to an asymptotic (zero contact angle) limit. Here, the PSCF method (using mixture properties as mole fraction averages of mixture component properties evaluated at the same reduced temperatures as the mixtures) and the GSCP predict virtually identical nucleation temperatures, while the GCSP method does not require any mixture property values.

42 ENGINEERING↗

Contracting Quality Early in the Lifecycle Using AS9145 Data Deliverables

Development schedules and a highly dynamic supply chain are a challenge to developers of complex systems produced at low volume. Flaws in designs, parts and materials availability problems, poor manufacturability, and a lack of knowledge about critical items and key process attributes can be realized well before traditional second-party quality assurance activities begin. Supplier audits and product inspections may have little mitigating effect once these foundational problems have been realized. Their impacts can be significant lifecycle disruption, cost overruns, inability to deliver to plan, and even project cancellation. AS9145, Requirements for Advanced Product Quality Planning and Production Part Approval Process, can be used to drive quality engineering practices into early development lifecycles to significantly reduce this late-cycle risk and to reduce the cost of quality overall. Since its initial publication in 2016, it has had very limited adoption by the DoD, no adoption by NASA, and sparse adoption in the aerospace and defense supply chain. A task group within the Aerospace Industries Association's (AIA) Joint Strategic Quality Council (JSQC) identified that both acquirers and suppliers see as AS9145 as a cost-adder and are hesitant to use it as an alternative to late-stage-heavy quality assurance approaches. A lack of prior use creates large capability gaps in request-for-proposal (RFP) teams, proposal teams, suppliers’ quality management systems (QMS), and in experienced personnel executing the early lifecycle approach. To create a more realizable on-ramp for using AS9145 in the space and defense sectors, the AIA JSQC task team created five deliverable requirements descriptions (DRDs) that can be used in a contract to begin to engage both parties in early lifecycle quality engineering and quality assurance activities, that reduce exposure to late-stage cost and schedule collapse due to unidentified risks in design, supply chain, and manufacturability. These DRDs drive the parties to engage in planning and analysis discussions early on to understand what production risks can be known and how they will focus resources based on safety criticality and the key elements of design and construction. The suppliers and acquirers who will produce the data and information required by the DRD will be able to incrementally evolve their QMS and the acquirer will incrementally be able to track and understand the benefits of cost shifting from late to early development phases. A white paper describing this approach and the five recommended DRDs will be published by the AIA in late 2024 or early 2025.

Jeannette Plante↗

A review of the remote sensing of lower tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles: REMOTE SENSING OF THERMODYNAMIC PROFILES

A review of remote sensing technology for lower tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer—usually characterized by an inversion—and the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global navigation satellite system, as well as water vapor and temperature Raman lidar and water vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.

58 GEOSCIENCES↗

Condition Based Monitoring of Gas Turbine Combustion Components

The objective of this program is to develop sensors that allow condition based monitoring of critical combustion parts of gas turbines. Siemens teamed with innovative, small companies that were developing sensor concepts that could monitor wearing and cracking of hot turbine parts. A magnetic crack monitoring sensor concept developed by JENTEK Sensors, Inc. was evaluated in laboratory tests. Designs for engine application were evaluated. The inability to develop a robust lead wire to transmit the signal long distances resulted in a discontinuation of this concept. An optical wear sensor concept proposed by K Sciences GP, LLC was tested in proof-of concept testing. The sensor concept depended, however, on optical fiber tips wearing with the loaded part. The fiber tip wear resulted in too much optical input variability; the sensor could not provide adequate stability for measurement. Siemens developed an alternative optical wear sensor approach that used a commercial PHILTEC, Inc. optical gap sensor with an optical spacer to remove fibers from the wearing surface. The gap sensor measured the length of the wearing spacer to follow loaded part wear. This optical wear sensor was developed to a Technology Readiness Level (TRL) of 5. It was validated in lab tests and installed on a floating transition seal in an F-Class gas turbine. Laboratory tests indicate that the concept can measure wear on loaded parts at temperatures up to 800OC with uncertainty of < 0.3 mm. Testing in an F-Class engine installation showed that the optical spacer wore with the wearing part. The electro-optics box located outside the engine enclosure survived the engine enclosure environment. The fiber optic cable and the optical spacer, however, both degraded after about 100 operating hours, impacting the signal analysis.

42 ENGINEERING↗

Validation Testing for Molten Chloride Reactor Experiment Equipment Removal and Disposal Techniques

The Molten Chloride Reactor Experiment (MCRE) will be the first reactor featuring a fast-spectrum molten chloride circulating nuclear fuel system in the world. Planning for equipment removal and disposal (ERD) of MCRE has identified several technology gaps due to the unique environment of this nuclear experiment. Some of the gaps arise from the application of existing disassembly and/or sizing methods to novel material forms or in novel configurations. Others arise from unknown material behavior. This paper summarizes proposed test plans for ERD validation experiments to address these complicated or unknown equipment removal procedures. At the Waste Management Symposia in 2024, the Idaho National Laboratory (INL) MCRE ERD team presented the challenges associated with hosting multiple nuclear experiments in series with only brief transition periods between systems. Such difficulties include higher dose rates, the presence of radioisotopes infrequently encountered in reactor decommissioning and radioactive waste management, lack of intrinsic remote-operations infrastructure in the test bed, space constraints in the test bed, and contamination minimization requirements. To address these challenges, remote or semi-remote technologies are planned to be implemented in a non-hot cell environment with limited space availability. The team also discussed how a systems engineering approach is being used for conceptual development and design of equipment removal systems to address these challenges. For example, to reduce constraints for the removal of more difficult components, non-activated, noncontaminated elements are planned to be taken out first where possible. Still, there are complexities associated with the remaining components. In this work, the operational framework for MCRE ERD was reviewed for technical gaps and open questions, and test plans were drafted to address these areas. The tests plans were written for the following categories: vision systems, pipe cutting, drill/grout/filler, flush salt, and miscellaneous, with the miscellaneous group consisting of tests like techniques for removing bearings and reflector bricks. The test plans explore material, infrastructure, and staffing requirements needed for test execution. The test plans additionally focus on the evaluation of success. Determining the outcome of a test is imperative - as these explorative actions have the potential to rearrange or re-scope planned ERD activities. Success criteria identified thus far include required tool output, required area(s), debris production and mitigation, and repeatability. Test plans are an essential aspect of the systems engineering approach to MCRE ERD. They are used as the beginning steps in defining use cases for the ERD system. Performance of the validation tests is expected to begin in the summer of 2025 and will take approximately 9 to 12 months to complete. Execution of these plans will be expedited by specifying test needs ahead of time, facilitating efficient interactions with any subcontractors tasked with running the requested tests. Evaluating the outcomes of these tests will inform MCRE ERD procedures and timing and will also identify additional technical constraints for the MCRE ERD System. This upfront process optimization effort will help the project save time and resources at the end of the experiment.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Role of Magnetic Defects in Tuning Ground States of Magnetic Topological Insulators

Abstract Magnetic defects play an important, but poorly understood, role in magnetic topological insulators (TIs). For example, topological surface transport and bulk magnetic properties are controlled by magnetic defects in Bi 2 Se 3 ‐based dilute ferromagnetic (FM) TIs and MnBi 2 Te 4 (MBT)‐based antiferromagnetic (AFM) TIs. Despite its nascent ferromagnetism, the inelastic neutron scattering data show that a fraction of the Mn defects in Sb 2 Te 3 form strong AFM dimer singlets within a quintuple block. The AFM superexchange coupling occurs via Mn–Te–Mn linear bonds and is identical to the AFM coupling between antisite defects and the FM Mn layer in MBT, establishing common interactions in the two materials classes. It is also found that the FM correlations in (Sb 1− x Mn x ) 2 Te 3 are likely driven by magnetic defects in adjacent quintuple blocks across the van der Waals gap. In addition to providing answers to long‐standing questions about the evolution of FM order in dilute TI, these results also show that the evolution of global magnetic order from AFM to FM in Sb‐substituted MBT is controlled by defect engineering of the intrablock and interblock coupling.

36 MATERIALS SCIENCE↗

Effect of tensile strain on the electronic structure of Ge: A first-principles calculation

Taking the change of L-point conduction band valley degeneracy under strain into consideration, we investigate the effect of biaxially tensile strain (parallel to the (001), (110), and (111) planes) and uniaxially tensile strain (along the [001], [110], and [111] directions) on the electronic structure of Ge using density functional theory calculations. Our calculation shows that biaxial tension parallel to (001) is the most efficient way to transform Ge into a direct bandgap material among all tensile strains considered. [111]-tension is the best choice among all uniaxial approaches for an indirect- to direct-bandgap transition of Ge. The calculation results, which are further elaborated by bond-orbital approximation, provide a useful guidance on the optical applications of Ge through strain engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Rippled metamaterials with scale-dependent tailorable elasticity

Thermally induced ripples are intrinsic features of nanometer-thick films, atomically thin materials, and cell membranes, significantly affecting their elastic properties. Despite decades of theoretical studies on the mechanics of suspended thermalized sheets, controversy still exists over the impact of these ripples, with conflicting predictions about whether elasticity is scale-dependent or scale-independent. Experimental progress has been hindered so far by the inability to have a platform capable of fully isolating and characterizing the effects of ripples. This knowledge gap limits the fundamental understanding of thin materials and their practical applications. Here, we show that thermal-like static ripples shape thin films into a class of metamaterials with scale-dependent, customizable elasticity. Utilizing a scalable semiconductor manufacturing process, we engineered nanometer-thick films with precisely controlled frozen random ripples, resembling snapshots of thermally fluctuating membranes. Resonant frequency measurements of rippled cantilevers reveal that random ripples effectively renormalize and enhance the average bending rigidity and sample-to-sample variations in a scale-dependent manner, consistent with recent theoretical estimations. The predictive power of the theoretical model, combined with the scalability of the fabrication process, was further exploited to create kirigami architectures with tailored bending rigidity and mechanical metamaterials with delayed buckling instability.

Applied Physical Sciences↗

19-LW-045 Full Length Final Report. Molecular Mechanisms of Bacterial Pathogenesis: Waging the Arms Race with Superbugs

As the current global pandemic makes abundantly clear, we need a better understanding of infectious disease to safeguard human health, the economy and global security. Modern omics techniques hold the promise of providing a comprehensive understanding of the molecular mechanisms of life, including causes of pathogenesis from infectious disease at the molecular level, but we there is a serious gap in annotation of gene function. For as much as half of the genes and gene products encoded in genomes the molecular and/or cellular function is unknown or only partially understood. Recent innovations in fluorescence microscopy for live cell imaging and genetic engineering make it possible to determine the temporal correlation between molecular events, such as a gene being expressed due to host-pathogen interaction, and cellular events, such as bacterial invasion of immune cells. This is turn allows us to gain new insight as to the molecular and cellular role of individual genes and will enable the discovery and validation of new molecular mechanisms essential for infectious disease. Knowing the molecular mechanisms of disease processes will provide new therapeutic targets or novel countermeasure strategies. We aimed to develop a lattice light sheet fluorescence microscope as a unique resource at LLNL for long time course live cell imaging experiments; to develop the reagents and cell lines needed to monitor molecular events during the course pathogenic bacteria infecting mammalian immune cells; and to demonstrate that we could capture molecular events during an infection. We fully commissioned the LLNL lattice light sheet microscope and conducted initial proof of principle imaging experiments on mammalian immune cells and pathogenic bacteria. It is clear from the experience gained that long time course live cell imaging has tremendous potential to help elucidate molecular mechanisms of host-pathogen interactions and to help annotate gene function, which would establish a basis for new countermeasures. It is also clear that if live cell imaging is to realize its full potential new data processing and analysis tools will need to be developed to facilitate analysis of molecular events within cells; new sample chambers and stages could facilitate studies with a wider range of cell and tissue types; and alternative molecular tagging methods need to be explored to enable more facile engineering of cells labeled with molecular specificity.

59 BASIC BIOLOGICAL SCIENCES↗

COMSOL Simulation of Optical Whispering Gallery Mode (WGM) Resonator

We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.

42 ENGINEERING↗

Southeast Regional CO 2 Utilization and Storage Acceleration Partnership (SECARB-USA): Results of Existing CO 2 Source and Sink Databases Analysis

The “Southeast Regional CO 2 Utilization and Storage Acceleration Partnership” (SECARB-USA) project supported the U.S. Department of Energy (DOE) Office of Fossil Energy's (FE) mission to help the United States meet its need for secure, affordable, and environmentally sound fossil energy supplies by utilizing the advancements made since 2003 by the Regional Carbon Sequestration Partnership (RCSP) Initiative to continue to identify and address knowledge gaps.

42 ENGINEERING↗