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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Characterization of self-magnetic pinch radiographic diode performance on RITS-6 at Sandia National Laboratories. II. Coupling between the inductive voltage adder and the SMP load

The self-magnetic pinch (SMP) diode is a type of radiographic diode used to generate an intense electron beam for radiographic applications. At Sandia National Laboratories, SMP was the diode load for the six-cavity radiographic integrated test stand inductive voltage adder (IVA) driver operated in a magnetically insulated transmission line (MITL). The MITL contributes a flow current in addition to the current generated within the diode itself. Extensive experiments with a MITL of 40Ω load impedance [T. J. Renk et al., Phys. Plasmas 29, 023105 (2022)] indicate that the additional flow current leads to results similar to what might be expected from a conventional high-voltage interface driver, where flow current is not present. However, when the MITL flow impedance was increased to 80 Ω, qualitatively different diode behavior was observed. This includes large retrapping waves suggestive of an initial coupling to low impedance as well as diode current decreasing with time even as the total current does not. A key observation is that the driver generates total current (flow + diode) consistent with the flow impedance of the MITL used. The case is made in this paper that the 80Ω MITL experiments detailed here can only be understood when the IVA-MITL-SMP diode is considered as a total system. Additionally, the constraint of fixed total current plus the relatively high flow impedance limits the ability of the diode (whether SMP or other type) to act as an independent load. An unexpected new result is that in tracking the behavior of the electron strike angle on the converter as a function of time, we observed that the conventional cIV x “Radiographic” radiation scaling (where x~2.2) begins to break down for voltages above 8 MV, and cubic scaling is required to recover accurate angle tracking.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

MoS 2 Catalysts Selectively Achieve High Yield of Liquid Oxygenate from Direct Conversion of Methane via Hydroxyl Radicals

Directly converting methane (CH 4 ) into liquid oxygenates (e.g., methanol) can circumvent the cost and engineering limits of natural gas transportation and storage. However, oxygenate yields from CH 4 remain low, and sulfur present in natural gas hinders activity in most catalysts. Here, to overcome these barriers, we employ bulk molybdenum disulfide (MoS 2 ), a low-cost, robust catalyst which selectively produces large quantities of liquid oxygenates (>900 µmol/g cat ∙hr) from methane in the presence of hydroxyl (OH • ) radicals produced from dilute hydrogen peroxide (H 2 O 2 ) at 75°C. Under realistic reaction conditions, MoS 2 partially and reversibly adopts a metastable, more electrically conductive phase (1T’) that can only be observed through in situ structural probes. Herein, we elucidate that redox synergy between H 2 O 2 and MoS 2 produces active OH • radical species that selectively transform CH 4 to surface methoxy species at the gas-solid liquid interface, leading to the unitary production of liquid oxygenate at a rate competitive with more costly precious metal catalysts, without additional catalyst preparation steps.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Spinoff 2012

Topics covered include: Water Treatment Technologies Inspire Healthy Beverages; Dietary Formulas Fortify Antioxidant Supplements; Rovers Pave the Way for Hospital Robots; Dry Electrodes Facilitate Remote Health Monitoring; Telescope Innovations Improve Speed, Accuracy of Eye Surgery; Superconductors Enable Lower Cost MRI Systems; Anti-Icing Formulas Prevent Train Delays; Shuttle Repair Tools Automate Vehicle Maintenance; Pressure-Sensitive Paints Advance Rotorcraft Design Testing; Speech Recognition Interfaces Improve Flight Safety; Polymers Advance Heat Management Materials for Vehicles; Wireless Sensors Pinpoint Rotorcraft Troubles; Ultrasonic Detectors Safely Identify Dangerous, Costly Leaks; Detectors Ensure Function, Safety of Aircraft Wiring; Emergency Systems Save Tens of Thousands of Lives; Oxygen Assessments Ensure Safer Medical Devices; Collaborative Platforms Aid Emergency Decision Making; Space-Inspired Trailers Encourage Exploration on Earth; Ultra-Thin Coatings Beautify Art; Spacesuit Materials Add Comfort to Undergarments; Gigapixel Images Connect Sports Teams with Fans; Satellite Maps Deliver More Realistic Gaming; Elemental Scanning Devices Authenticate Works of Art; Microradiometers Reveal Ocean Health, Climate Change; Sensors Enable Plants to Text Message Farmers; Efficient Cells Cut the Cost of Solar Power; Shuttle Topography Data Inform Solar Power Analysis; Photocatalytic Solutions Create Self-Cleaning Surfaces; Concentrators Enhance Solar Power Systems; Innovative Coatings Potentially Lower Facility Maintenance Costs; Simulation Packages Expand Aircraft Design Options; Web Solutions Inspire Cloud Computing Software; Behavior Prediction Tools Strengthen Nanoelectronics; Power Converters Secure Electronics in Harsh Environments; Diagnostics Tools Identify Faults Prior to Failure; Archiving Innovations Preserve Essential Historical Records; Meter Designs Reduce Operation Costs for Industry; Commercial Platforms Allow Affordable Space Research; Fiber Optics Deliver Real-Time Structural Monitoring; Camera Systems Rapidly Scan Large Structures; Terahertz Lasers Reveal Information for 3D Images; Thin Films Protect Electronics from Heat and Radiation; Interferometers Sharpen Measurements for Better Telescopes; and Vision Systems Illuminate Industrial Processes.

Source record↗
DOE OSTI2020

Electronic Bottleneck Suppression in Next‐Generation Networks with Integrated Photonic Digital‐to‐Analog Converters

Digital‐to‐analog converters (DAC) are indispensable functional units in signal processing instrumentation and wide‐band telecommunication links for both civil and military applications. As photonic systems are capable of high data throughput and low latency, an increasingly found system limitation stems from the required domain crossing such as digital to analog and electronic to optical. A photonic DAC implementation, in contrast, enables a seamless signal conversion with respect to both energy efficiency and short signal delay, often requiring bulky discrete optical components and electric–optic transformation, hence introducing inefficiencies. Herein, a novel coherent parallel photonic DAC concept along with a 4‐bit experimental prototype capable of performing this DAC without optic–electric–optic domain crossing is introduced. This new paradigm guarantees a linear intensity weighting among bits when operating at high sampling rates (50 GHz), featuring an exceptional sampling efficiency (> 100 GS ) and small footprint (≈1 mm 2 ) in an 8‐bit implementation. Importantly, this photonic DAC enables seamless interfaces of next‐generation data processing hardware with high relevance in data centers, task‐specific compute accelerators such as neuromorphic engines, and network edge processing applications.

Meng, Jiawei↗
DOE OSTI2021

Identifying key determinants and dynamics of SARS-CoV-2/ACE2 tight interaction

SARS-CoV-2 virus, the causative agent of Covid-19, has fired up a global pandemic. The virus interacts with the human receptor angiotensin-converting enzyme 2 (ACE2) for an invasion via receptor binding domain (RBD) on its spike protein. To provide a deeper understanding of this interaction, we performed microsecond simulations of the RBD-ACE2 complex for SARS-CoV-2 and compared it with the closely related SARS-CoV discovered in 2003. We show residues in the RBD of SARS-CoV-2 that were mutated from SARS-CoV, collectively help make the RBD anchor much stronger to the N-terminal part of ACE2 than the corresponding residues on RBD of SARS-CoV. This would result in a reduced dissociation rate of SARS-CoV-2 from human receptor protein compared to SARS-CoV. The phenomenon was consistently observed in simulations beyond 500 ns and was reproducible across different force fields. Altogether, our study adds more insight into the critical dynamics of the key residues at the virus spike and human receptor binding interface and potentially aids the development of diagnostics and therapeutics to combat the pandemic efficiently.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Spontaneous skyrmion conformal lattice and transverse motion during dc and ac compression

Abstract We use atomistic-based simulations to investigate the behavior of ferromagnetic skyrmions being continuously compressed against a rigid wall under dc and ac drives. The compressed skyrmions can be annihilated close to the wall and form a conformal crystal with both a size and a density gradient, making it distinct from conformal crystals observed previously for superconducting vortices and colloidal particles. For both dc and ac driving, the skyrmions can move transverse to the compression direction due to a combination of density and size gradients. Forces in the compression direction are converted by the Magnus force into transverse motion. Under ac driving, the amount of skyrmion annihilation is reduced and we find a skyrmion Magnus ratchet pump. We also observe shear banding in which skyrmions near the wall move up to twice as fast as skyrmions further from the wall. When we vary the magnitude of the applied drive, we find a critical current above which the skyrmions are completely annihilated during a time scale that depends on the magnitude of the drive. By varying the magnetic parameters, we find that the transverse motion is strongly dependent on the skyrmion size. Smaller skyrmions are more rigid, which interferes with the size gradient and destroys the transverse motion. We also confirm the role of the size gradient by comparing our atomistic simulations with a particle-based model, where we find that the transverse motion is only transient. Our results are relevant for applications where skyrmions encounter repulsive magnetic walls, domain walls, or interfaces.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Moltensaltpropnet

MoltenSaltPropnet is a physics-informed machine learning framework that aims to predict the thermophysical properties of molten fluoride and chloride salt mixtures, which are crucial for the design and safety of Generation IV molten salt reactors. The code processes data from the Molten-Salt Thermal Properties Database (MSTDB-TP) and the Janz compendium, converting critically evaluated correlations into fast, differentiable surrogate models for density, viscosity, thermal conductivity, and heat capacity across 448 distinct salt systems. The implementation consists of several key components: 1. Data Curation: The code parses and cleans the raw data, normalizing elemental mole fractions and extracting relevant regression coefficients for various thermophysical properties. 2. Feature Engineering: It generates fixed-length numerical descriptors that encapsulate the composition and temperature, incorporating polynomial interaction terms and dimensionality-reduction techniques to optimize model performance. 3. Coefficient Learning: Four different machine learning architectures are employed: a deep residual network (ResNet), a Kolmogorov–Arnold network (KAN), a sparsity-inducing neural network (SNN), and classical regression models. Each model learns to predict coefficients that define the temperature-dependent correlations for the thermophysical properties. 4. Property Reconstruction: The predicted coefficients are used to compute temperature-dependent property values, ensuring positivity and monotonic trends through a composite loss function that enforces physical constraints. 5. User Interface: An open-source web application enables users to filter the database, train task-specific models, and visualize the results, allowing for rapid exploration of candidate salt mixtures. MoltenSaltPropnet bridges the gap between limited experimental data and high-fidelity reactor simulations, providing a powerful tool for researchers in the field of molten salt reactors and advanced nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗
NASA NTRS2008

Automatic Testcase Generation for Flight Software

The TacSat3 project is applying Integrated Systems Health Management (ISHM) technologies to an Air Force spacecraft for operational evaluation in space. The experiment will demonstrate the effectiveness and cost of ISHM and vehicle systems management (VSM) technologies through onboard operation for extended periods. We present two approaches to automatic testcase generation for ISHM: 1) A blackbox approach that views the system as a blackbox, and uses a grammar-based specification of the system's inputs to automatically generate *all* inputs that satisfy the specifications (up to prespecified limits); these inputs are then used to exercise the system. 2) A whitebox approach that performs analysis and testcase generation directly on a representation of the internal behaviour of the system under test. The enabling technologies for both these approaches are model checking and symbolic execution, as implemented in the Ames' Java PathFinder (JPF) tool suite. Model checking is an automated technique for software verification. Unlike simulation and testing which check only some of the system executions and therefore may miss errors, model checking exhaustively explores all possible executions. Symbolic execution evaluates programs with symbolic rather than concrete values and represents variable values as symbolic expressions. We are applying the blackbox approach to generating input scripts for the Spacecraft Command Language (SCL) from Interface and Control Systems. SCL is an embedded interpreter for controlling spacecraft systems. TacSat3 will be using SCL as the controller for its ISHM systems. We translated the SCL grammar into a program that outputs scripts conforming to the grammars. Running JPF on this program generates all legal input scripts up to a prespecified size. Script generation can also be targeted to specific parts of the grammar of interest to the developers. These scripts are then fed to the SCL Executive. ICS's in-house coverage tools will be run to measure code coverage. Because the scripts exercise all parts of the grammar, we expect them to provide high code coverage. This blackbox approach is suitable for systems for which we do not have access to the source code. We are applying whitebox test generation to the Spacecraft Health INference Engine (SHINE) that is part of the ISHM system. In TacSat3, SHINE will execute an on-board knowledge base for fault detection and diagnosis. SHINE converts its knowledge base into optimized C code which runs onboard TacSat3. SHINE can translate its rules into an intermediate representation (Java) suitable for analysis with JPF. JPF will analyze SHINE's Java output using symbolic execution, producing testcases that can provide either complete or directed coverage of the code. Automatically generated test suites can provide full code coverage and be quickly regenerated when code changes. Because our tools analyze executable code, they fully cover the delivered code, not just models of the code. This approach also provides a way to generate tests that exercise specific sections of code under specific preconditions. This capability gives us more focused testing of specific sections of code.

Bushnell, David Henry↗
DOE OSTI2023

Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS‐CoV‐2

Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS‐CoV‐2) enters the host cell by binding to angiotensin‐converting enzyme 2 (ACE2). While evolutionarily conserved, ACE2 receptors differ across various species and differential interactions with Spike (S) glycoproteins of SARS‐CoV‐2 viruses impact species specificity. Reverse zoonoses led to SARS‐CoV‐2 outbreaks on multiple American mink (Mustela vison) farms during the pandemic and gave rise to mink‐associated S substitutions known for transmissibility between mink and zoonotic transmission to humans. In this study, we used bio‐layer interferometry (BLI) to discern the differences in binding affinity between multiple human and mink‐derived S glycoproteins of SARS‐CoV‐2 and their respective ACE2 receptors. Further, we conducted a structural analysis of a mink variant S glycoprotein and American mink ACE2 (mvACE2) using cryo‐electron microscopy (cryo‐EM), revealing four distinct conformations. We discovered a novel intermediary conformation where the mvACE2 receptor is bound to the receptor‐binding domain (RBD) of the S glycoprotein in a “down” position, approximately 34° lower than previously reported “up” RBD. Finally, we compared residue interactions in the S‐ACE2 complex interface of S glycoprotein conformations with varying RBD orientations. These findings provide valuable insights into the molecular mechanisms of SARS‐CoV‐2 entry.

Virology↗
NASA NTRS2016

Station Program Note Pull Automation

Upon commencement of my internship, I was in charge of maintaining the CoFR (Certificate of Flight Readiness) Tool. The tool acquires data from existing Excel workbooks on NASA's and Boeing's databases to create a new spreadsheet listing out all the potential safety concerns for upcoming flights and software transitions. Since the application was written in Visual Basic, I had to learn a new programming language and prepare to handle any malfunctions within the program. Shortly afterwards, I was given the assignment to automate the Station Program Note (SPN) Pull process. I developed an application, in Python, that generated a GUI (Graphical User Interface) that will be used by the International Space Station Safety & Mission Assurance team here at Johnson Space Center. The application will allow its users to download online files with the click of a button, import SPN's based on three different pulls, instantly manipulate and filter spreadsheets, and compare the three sources to determine which active SPN's (Station Program Notes) must be reviewed for any upcoming flights, missions, and/or software transitions. Initially, to perform the NASA SPN pull (one of three), I had created the program to allow the user to login to a secure webpage that stores data, input specific parameters, and retrieve the desired SPN's based on their inputs. However, to avoid any conflicts with sustainment, I altered it so that the user may login and download the NASA file independently. After the user has downloaded the file with the click of a button, I defined the program to check for any outdated or pre-existing files, for successful downloads, to acquire the spreadsheet, convert it from a text file to a comma separated file and finally into an Excel spreadsheet to be filtered and later scrutinized for specific SPN numbers. Once this file has been automatically manipulated to provide only the SPN numbers that are desired, they are stored in a global variable, shown on the GUI, and transferred over to a new Excel worksheet for comparison. I managed to get my application to acquire the CSWG (Computer Safety Working Group) and the SPNWG (Space Station Working Group) SPN's with just two mouse clicks for each pull, as opposed to several from the original process. When all three pulls are performed, an Excel sheet containing all three different results will be generated for the user to compare and determine which SPN's will be presented or reviewed the following month. The experience from this internship has been spectacular. As a high school senior who will begin attending college in the fall, this internship has been both educationally and occupationally beneficial. The internship has allowed me the opportunities to learn new programming languages, effectively network with NASA personnel from a variety of departments at JSC, and allowed me to learn new professional skills and etiquette. My internship at NASA's Johnson Space Center has further motivated me to pursue a Master's degree in Software Engineering and strive for a prosperous career with NASA as a civil servant.

Delgado, Ivan↗
DOE OSTI2025

Preliminary Study on Fine-Grained Power and Energy Measurements on Grace Hopper GH200 with Open-Source Performance Tools

The increasing adoption of tightly integrated, heterogeneous architectures, combined with the slowdown of Moore’s law, has made application power and energy-driven optimizations critical to efficiently use high-performance computing systems. This paper introduces a newly developed open-source toolkit that seamlessly integrates the Linux real-time hardware monitoring program hwmon with the Performance Application Programming Interface and the Score-P performance measurement system, thereby enabling fine-grained power and energy measurements for high-performance computing applications. Our primary target platform is the Wombat test bed, which is a system based on the NVIDIA GH200 superchip. The toolkit can capture transient power peaks with high temporal resolution (50 ms) and, thanks to Score-P integration, can map power metrics to specific code regions, thereby providing actionable information on power-intensive operations and inefficiencies. The toolkit also provides a holistic view of both the power and the energy consumption of the entire GH200 superchip by covering all major components: the Grace CPU, the Hopper GPU, and the I/O subsystem. Experiments that use Locally Self-consistent Multiple Scattering, which is an application for first-principles calculations of materials developed at Oak Ridge National Laboratory, have demonstrated the tool’s ability to identify transient power spikes and uncover opportunities for energy-aware optimizations. Additionally, we introduce a Python-based utility for converting Open Trace Format 2 traces to Parquet format, thus enabling advanced data analysis for numerical integration methods applied to power data for accurate energy profiling.

Hernandez Mendoza, Oscar [ORNL] (ORCID:00000002538↗
DOE OSTI2020

A Scoping Study to Determine the Location-Specific WEC Threshold Size for Wave-Powered AUV Recharging

The aim of this study is to determine the threshold wave energy converter (WEC) type and size to charge a fleet of U.S. Navy autonomous underwater vehicles (AUVs) in various geographic locations of interest. The U.S. Navy deploys AUVs in locations around the world that must be charged manually, decreasing their operational endurance and creating operational limitations. Ocean waves are a potential power source that can be converted into electricity using a WEC and stored using a battery. It would be beneficial to develop a WEC that could autonomously charge AUVs offshore. Numerous locations were analyzed to determine the minimum size of a WEC capable of providing sufficient charging power and offering a strategic advantage. By predicting the WEC efficiency (based on empirical equations) and wave resource (based on available data), electrical power generation across numerous WEC types and locations was compared in MATLAB. The generalized process developed here could be used to determine the required size and type of WECs to charge a fleet of AUVs in different locations around the world.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Converting 2D Nanofiber Membranes to 3D Hierarchical Assemblies with Structural and Compositional Gradients Regulates Cell Behavior

Abstract New methods are described for converting 2D electrospun nanofiber membranes to 3D hierarchical assemblies with structural and compositional gradients. Pore‐size gradients are generated by tuning the expansion of 2D membranes in different layers with incorporation of various amounts of a surfactant during the gas‐foaming process. The gradient in fiber organizations is formed by expanding 2D nanofiber membranes composed of multiple regions collected by varying rotating speeds of mandrel. A compositional gradient on 3D assemblies consisting of radially aligned nanofibers is prepared by dripping, diffusion, and crosslinking. Bone mesenchymal stem cells (BMSCs) on the 3D nanofiber assemblies with smaller pore size show significantly higher expression of hypoxia‐related markers and enhanced chondrogenic differentiation compared to BMSCs cultured on the assemblies with larger pore size. The basic fibroblast growth factor gradient can accelerate fibroblast migration from the surrounding area to the center in an in vitro wound healing model. Taken together, 3D nanofiber assemblies with gradients in pore sizes, fiber organizations, and contents of signaling molecules can be used to engineer tissue constructs for tissue repair and build biomimetic disease models for studying disease biology and screening drugs, in particular, for interface tissue engineering and modeling.

Chen, Shixuan↗
DOE OSTI2024

Interfacial Analysis of Blister Formation in U-10Mo Mini-Plates

A thorough investigation of potential failure mechanisms builds confidence in the performance of monolithic U-10wt%Mo (U-10Mo) fuel plates. The lowenriched uranium (LEU) fuel system is currently undergoing qualification as a high U-density fuel that can be used to convert United States high-performance research reactors from high-enriched uranium (HEU) operation. This will require establishing fuel operational limits such that fission products and a coolable geometry are retained, even during off-normal reactor operation conditions [1]. Such off-normal conditions can subject the fuel plates to temperatures where the internal pressure of precipitated fission gasses result in a permanent deformed, raised area of the cladding, referred to as a blister. These blisters can reduce the local coolability of a fuel plate and can even close coolant channels of a fuel assembly, so blistered plates are considered failed regardless of whether the fuel is truly breached. Historically, a marginto- failure is established through out-of-pile blister threshold testing of irradiated fuel plates. This is accomplished by incrementally heating irradiated fuel plates until blisters are observed. This reveals the temperature threshold that would have resulted in a blister if a plate experienced them at those irradiation conditions [2]. While the blister testing itself reveals the temperatures at which the cladding mechanical integrity was exceeded, a more thorough investigation of the interface evolution in proximity to formed blisters may reveal mechanisms as to the blister formation and retention of fission gases. Previous studies have explored potential underlying mechanisms in historical plates that may have been close to blistering [3]; however, this work is the first exploration of blister tested irradiated plates, fabricated by a commercial vendor—another requirement for qualification of the fuel system [1]. The Mini-plate 1 (MP-1) experiment was the first in a series of irradiation and post-irradiation examination (PIE) campaigns to qualify the U-10Mo monolithic fuel system. It consisted of commercially fabricated 25.4×101.5 mm Al-clad mini-plates with a monolithic U-10Mo foil coated in a Zr diffusion barrier. The primary MP-1 PIE campaign was previously completed. Among the suit of examinations was a blister testing campaign, where plates were incrementally annealed in 25°C increments until blisters were observed or a maximum temperature of 550°C was reached [4]. The previously blistered plates from this campaign were revisited in this work.

25228↗
NASA NTRS1994

Gas kinematics and ionization along the extended sight line to HD 116852

We present Goddard High-Resolution Spectrograph intermediate observations of the interstellar medium toward HD 116852, a low halo star at a distance of 4.8 kpc (z = -1.3 kpc) in the direction l = 304. deg 9, b = 16.deg 1. The small science aperture observations have signal-to-noise ratios ranging from 30 to 90 and resolutions of 11 to 18 km/s (FWHM). We confirm the optical MK classification of this star through an analysis of its ultraviolet photosperic and stellar wind profiles. We detect interstellar lines of Al III, Si IV, C IV, and N V together with lines of C I, C I*, C I**, Si II, Ge II, P II, and Ni II. We convert the Mg II, P II, S II, Al III, Si IV, C IV, and N V profiles into measure of apparent column density as a function of LSR velocity. Gas scale height, velocity dispersion, and differential Galactic rotation effects govern the profile shapes. A simple computer model of the expected sight line column density profiles for the low and high ion species indicates that the gas velocity dispersions and scale heights increase as the ionization level of the gas increases. We find scale heigts H greater than or = 1 kpc for the high ions, which are comparable to the z-distance of the star, whereas we find H approximatley = 0.6 to 0.7 kpc for A1 III and H approximatley 0.1 kpc for P II and Ge II. An enhancement in the Al II profile near -15 km/s accounts for approximately 25% of the A1 III column along the sight line and probably arises within gas located approximately 500 pc below the Sagittarius-Carina spiral arm link. Portions of the broad underlying A1 III distribution are associated with the higher ionization lines, perhaps in conductive interfaces. The presence of N V and the column density ratios of Si IV, C IV, and N V favor the interpretation that much of the high ion absorption is produced by collisional ionization in gas with T = 1-3 x 10(exp 5) K. An enhancement near -35 km/s in both the Si IV and C IV profiles may be due to an outflow from the Norma spiral arm at a z-distance of about -1 kpc. The smooth decrease of the N(C IV)/N(Si IV) ratio at negative velocities may be due to an ISM ionization structure for hot gas that changes distance from the Galactic plane or to a two phase gas distribution in which the relative contribution from each phase changes with distance from the Galactic plane.

Sembach, Kenneth R.↗
NASA NTRS2004

Phytoplankton-Fluorescence-Lifetime Vertical Profiler

A battery-operated optoelectronic instrument is designed to be lowered into the ocean to measure the intensity and lifetime of fluorescence of chlorophyll A in marine phytoplankton as a function of depth from 0 to 300 m. Fluorescence lifetimes are especially useful as robust measures of photosynthetic productivity of phytoplankton and of physical and chemical mechanisms that affect photosynthesis. The knowledge of photosynthesis in phytoplankton gained by use of this and related instruments is expected to contribute to understanding of global processes that control the time-varying fluxes of carbon and associated biogenic elements in the ocean. The concentration of chlorophyll in the ocean presents a major detection challenge because in order to obtain accurate values of photosynthetic parameters, the intensity of light used to excite fluorescence must be kept very low so as not to disturb the photosynthetic system. Several innovations in fluorometric instrumentation were made in order to make it possible to reach the required low detection limit. These innovations include a highly efficient optical assembly with an integrated flow-through sample interface, and a high-gain, low-noise electronic detection subsystem. The instrument also incorporates means for self-calibration during operation, and electronic hardware and software for control, acquisition and analysis of data, and communications. The electronic circuitry is highly miniaturized and designed to minimize power demand. The instrument is housed in a package that can withstand the water pressure at the maximum depth of 300 m. A light-emitting diode excites fluorescence in the sample flow cell, which is placed at one focal point of an ellipsoidal reflector. A photomultiplier tube is placed at the other focal point. This optical arrangement enables highly efficient collection of fluorescence emitted over all polar directions. Fluorescence lifetime is measured indirectly, by use of a technique based on the same principle as the one described in "Fluorometer for Analysis of Photosynthesis in Phytoplankton" (SSC-00110), NASA Tech Briefs, Vol. 24, No. 1 (November 2000), page 79. The excitation is modulated at a frequency of 70 MHz, and the phase shift between the excitation light and the emitted fluorescence is measured by a detection method in which the 70 MHz signal is down-converted to a 400 Hz signal. The fluorescence lifetime can be computed from the known relationship among the fluorescence lifetime, phase shift, and modulation frequency

Fernandez, Salvador M.↗
DOE OSTI2024

Computational Approaches for Clean Energy Materials

Currently, 80% of the global final energy consumption occurs in form of fuels and only 20% as electricity. On the other hand, renewable energy additions come almost exclusively in the form of electricity (dominantly photovoltaics and wind). Thus, a successful energy transition will require enormous growth in renewables, sufficient to convert excess electricity into fuels, as well as the development of non-electricity based solar fuel technologies. As much as photovoltaic capacities have grown over the past 20 years, it is far from clear that current technologies and materials are up to the task to grow from here by yet another factor 100 until 2050. Therefore, sustained research efforts on emerging inorganic semiconductors for solar electricity and fuels are essential for facing the double challenge of climate change and energy security. Computational materials science can make important contributions, guiding and supporting research activities through both materials search and discovery and through detailed studies that help to develop a mechanistic understanding of materials performance and bottlenecks. This presentation will highlight three recent computational projects with relevance for photovoltaics and solar fuels (1) Defect graph neural networks (dGNN) for materials discovery in solar thermochemical hydrogen (STCH) [1]. The dGNN approach facilitates broad and fast materials screening for defect properties. (2) Modeling highly off-stoichiometric systems by evaluating the free energy of defect interaction [2]. This approach allows quantitative prediction of H2 production in complex STCH oxides. (3) First-principles atomic structure prediction for interfaces [3]. This work showed how an atomically thin CdCl2 interlayer phase enables in principle ideal electron transport across the incommensurate SnO2/CdTe interface. [1] M.D. Witman, A. Goyal, T. Ogitsu, A.H. McDaniel, S. Lany, Nat. Comput. Sci. (2023). https://doi.org/10.1038/s43588-023-00495-2. [2] A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024). https://doi.org/10.1103/PRXEnergy.3.013008. [3] A. Sharan, M. Nardone, D. Krasikov, N. Singh, S. Lany, Appl. Phys. Rev. 9, 041411 (2022). https://doi.org/10.1063/5.0104008.

density functional theory↗
NASA NTRS2011

Temperature and Atomic Oxygen Effects on Helium Leak Rates of a Candidate Main Interface Seal

Helium leak tests were completed to characterize the leak rate of a 54 in. diameter composite space docking seal design in support of the National Aeronautics and Space Administration s (NASA's) Low Impact Docking System (LIDS). The evaluated seal design was a candidate for the main interface seal on the LIDS, which would be compressed between two vehicles, while docked, to prevent the escape of breathable air from the vehicles and into the vacuum of space. Leak tests completed at nominal temperatures of -30, 20, and 50 C on untreated and atomic oxygen (AO) exposed test samples were examined to determine the influence of both test temperature and AO exposure on the performance of the composite seal assembly. Results obtained for untreated seal samples showed leak rates which increased with increased test temperature. This general trend was not observed in tests of the AO exposed specimens. Initial examination of collected test data suggested that AO exposure resulted in higher helium leak rates, however, further analysis showed that the differences observed in the 20 and 50 C tests between the untreated and AO exposed samples were within the experimental error of the test method. Lack of discernable trends in the test data prevented concrete conclusions about the effects of test temperature and AO exposure on helium leak rates of the candidate seal design from being drawn. To facilitate a comparison of the current test data with results from previous leak tests using air as the test fluid, helium leak rates were converted to air leak rates using standard conversion factors for viscous and molecular flow. Flow rates calculated using the viscous flow conversion factor were significantly higher than the experimental air leakage values, whereas values calculated using the molecular flow conversion factor were significantly lower than the experimentally obtained air leak rates. The difference in these sets of converted flow rates and their deviation from the experimentally obtained air leak rate data suggest that neither conversion factor can be used alone to accurately convert helium leak rates to equivalent air leak rates for the test seals evaluated in this study; other leak phenomena, including permeation, must also be considered.

Penney, Nicholas↗