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DOE OSTI2020

Power Grid Contingency Analysis with Machine Learning: A Brief Survey and Prospects

We briefly review previous applications of machine learning (ML) in power grid analyses and introduce our ongoing effort toward developing a generative-adversarial (GA) model for fast and reliable grid contingency analyses. According to our review, the persisting limitation of traditional ML techniques in grid analyses is the need for an exhaustive amount of training data for model generalization and accurate predictions. GA models overcome this limitation by first learning true data distribution from a small training set, from which new samples assimilating true data are generated with some variations. Subsequently, GA models can transfer learn or super-generalize with increased accuracy, that is, accurately predict n - (k + 2) contingencies from a small n - k training set and generated n - (k + 1) data. The joint effort between Idaho National Lab and Florida State University strives to develop a zero-shot and deep learning-based contingency analysis tool, named Smart Contingency Analysis Neural Network (SCANN), by leveraging the aforementioned advantages of GA models. The basic architecture of SCANN stems from the Latent Encoding of Atypical Perturbations network combined with an adversarial network, and it is designed to generate imbalanced power flow data from learned true data distributions for prediction purposes. Here we also introduce the abstract concept of resilience-chaos plots, a new resilience characterization tool proposed to complement SCANN by aiding in the assessment of large amounts of high-order contingency predictions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1998

Evaluation of 3D Inverse Code Using Rotor 67 as Test Case

A design modification of Rotor 67 is carried out with a full 3D inverse method. The blade camber surface is modified to produce a prescribed pressure loading distribution, with the blade tangential thickness distribution and the blade stacking line at midchord kept the same as the original Rotor 67 design. Because of the inviscid-flow assumption used in the current version of the method, Rotor 67 geometry is modified for use at a design point different from the original design value. A parametric study with the prescribed pressure loading distribution yields the following results. In the subsonic section, smooth pressure loading shapes generally produce blades with well-behaved blade surface pressure distributions. In the supersonic section, the study shows that the strength and position of the passage shock correlate with the characteristics of the blade pressure loading shape. In general, "smooth" prescribed blade pressure loading distributions generate blade designs with reverse cambers which have the effect of weakening the passage shock.

Dang, T.↗

DOE OSTI2025

Suppressing Screening-Current-Induced Strain in a 72-mm-Bore REBCO Insert for a 20-T Magnet: A Numerical Study

Rare-earth barium copper oxide (REBCO) high-temperature superconducting (HTS) magnets are considered a game changer for the capability of generating magnetic fields exceeding 20 T at or above liquid helium temperature, combined with the potential for substantially reduced manufacturing and operational costs. Princeton Plasma Physics Laboratory is dedicated to developing large-bore high-field superconducting magnet systems to support forefront physics research. Here, our current project focuses on a φ72-mm cold-bore REBCO insert comprising 21 dry-wound double-pancake coils, designed to generate at least 8 T when nested within a 12-T outsert magnet. A significant challenge for high-field REBCO magnets is the time-varying-magnetic-field-induced screening currents (SC) in the REBCO conductors, which can cause localized strain and stress concentrations. This paper presents a numerical study of the SC-induced strain in the REBCO insert magnet, confirming that the SC-induced strain can be substantially suppressed by energizing the REBCO insert before the outsert magnets. We discuss and reveal the mechanism behind this reduction. By applying this strategy, we expect to unleash the potential of the REBCO insert magnet to generate up to 12 T in a 12-T background field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2005

Learning Lessons from the X-37 Project

The X-37 was planned as an automated vehicle capable of flight-testing new aerospace technologies in combined environments that are beyond the capability of existing ground or flight platforms. Flight demonstration with the X-37 architecture and configuration in relevant environments was planned to reduce the risk of developing launch vehicle technologies for sustainable, affordable exploration and other aerospace applications. Current plans are for the X-37 Approach and Landing Test Vehicle (ALTV) to be atmospheric tested in 2005 from Scaled Composite's White Knight carrier aircraft at up to 40,000 feet over California's Mojave Spaceport, with and turnaround maintenance performed. The fight Operations Control Center will conduct the mission, using a streamlined operations concept. Taxi-tow and captive-carry tests will be conducted prior to the atmospheric-test series. Sponsored by the Defense Advanced Research Projects Agency (DARPA) with NASA participation, technical objectives are to: (1) mature Computed Air Data System/Remote Pressure Sensor technology, (2) manage energy during Terminal Area Energy Management/Heading Alignment Cone maneuvers, and (3) validate the aerodatabase. The X-37 Project began in 1999 under a cooperative agreement as an element of NASA's Future X Program and transitioned to a NASA Research Announcement under the Space Launch Initiative. In mid-2004, NASA transferred ownership to DARPA, with its heritage of performing high-risk, high-payoff research and development. NASA contributes technical expertise, including risk analysis and system integration. The Boeing Company is the prime contractor, with nationwide suppliers. This recent partnership exemplifies the synergy attainable when NASA Centers, other Government agencies, and industry work together toward a common goal - contributing to the knowledge base for U.S. exploration and other aerospace endeavors. The X-37 team represents a range of space transportation disciplines - from engineering to management. Some members have been with the project since its inception. All have gained priceless experience during the design, manufacturing, and testing of the ALTV, as well as through developing advanced orbital flight technologies, such as state-of-the-art Thermal Protection Systems and hot structures. Throughout this process, the X-37 Project team captures lessons that are directly applicable to other such efforts. The upcoming ALTV flights offer another dimension of data and first-hand experience that will prove invaluable to those designing new generations of reusable spacecraft. And ongoing technology developments will expand the aerospace knowledge base. Delivering prototype hardware is always a risky proposition. During the course of the X-37 effort, the team has experienced many challenging opportunities, delivering significant accomplishments and learning numerous lessons in the process. The ability to manage the risk landscape is key to overcoming obstacles, especially technical hurdles that are encountered in progressing hardware from design to flight. The approach to managing risk under this partnership is evolving but, in general, the team allocates resources to reduce the likelihood of severe-consequence risks, thus maximizing mission success and ensuring that the X-37 Project delivers value to its stakeholders. As the team sharpens its focus on operations, it continues to contribute knowledge to those who would undertake high-risk, high-payoff research and development and provides valuable experience to implement the exploration vision.

Turner, Susan↗

NASA NTRS2005

Learning Lessons from the X-37 Project

The X-37 was planned as an automated vehicle capable of flight-testing new aerospace technologies in combined environments that are beyond the capability of existing ground or flight platforms. Flight demonstration with the X-37 architecture and configuration in relevant environments was planned to reduce the risk of developing launch vehicle technologies for sustainable, affordable exploration and other aerospace applications. Current plans are for the X-37 Approach and Landing Test Vehicle (ALTV) to be atmospheric tested in 2005 from Scaled Composite s White Knight carrier aircraft at up to 40,000 feet over California's Mojave Spaceport, with landing and turnaround maintenance performed. The Flight Operations Control Center will conduct the mission, using a streamlined operations concept. Taxi-tow and captive-carry tests will be conducted prior to the atmospheric-test series. Sponsored by the Defense Advanced Research Projects Agency (DARPA) with NASA participation, technical objectives are to: (1) mature Computed Air Data System/Remote Pressure Sensor technology, (2) manage energy during Terminal Area Energy Management/Heading Alignment Cone maneuvers, and (3) validate the aerodatabase. The X-37 Project began in 1999 under a cooperative agreement as an element of NASA's Future X Program and transitioned to a NASA Research Announcement under the Space Launch Initiative. In mid-2004, NASA transferred ownership to DARPA, with its heritage of performing high-risk, high-payoff research and development (R&D). NASA contributes technical expertise, including risk analysis and system integration. The Boeing Company is the prime contractor, with nationwide suppliers. This partnership exemplifies the synergy attainable when NASA Centers, other Government agencies, and industry work together toward a common goal - contributing to the knowledge base for U.S. exploration and other aerospace endeavors. The X-37 team represents a range of space transportation disciplines - from engineering to management. Some members have been with the project since its inception. All have gained priceless experience during the design, manufacturing, and testing of the ALTV, as well as through developing advanced orbital flight technologies, such as state-of-the-art Thermal Protection Systems and hot structures. Throughout this process, the X-37 Project team captures lessons that are directly applicable to other such efforts. The upcoming ALTV flights offer another dimension of data and first-hand experience that will prove invaluable to those designing new generations of reusable spacecraft. And ongoing technology developments will expand the aerospace knowledge base. Delivering prototype hardware is always a risky proposition. During the course of this effort, the X-37 team has experienced many challenging opportunities, delivering significant accomplishments and learning numerous lessons in the process. The ability to manage the risk landscape is key to overcoming obstacles, especially technical hurdles that are encountered in progressing hardware from design to flight. The approach to managing risk under this partnership is evolving but, in general, the team allocates resources to reduce the likelihood of severe-consequence risks, thus maximizing mission success and ensuring that the X-37 Project delivers value to its stakeholders. As the team sharpens its focus on operations, it continues to contribute knowledge to those who would undertake high-risk, high-payoff R&D and provides valuable experience to implement the Vision for Space Exploration.

Turner, Susan↗

NASA NTRS1987

A general architecture for intelligent training systems

A preliminary design of a general architecture for autonomous intelligent training systems was developed. The architecture integrates expert system technology with teaching/training methodologies to permit the production of systems suitable for use by NASA, other government agencies, industry, and academia in the training of personnel for the performance of complex, mission-critical tasks. The proposed architecture consists of five elements: a user interface, a domain expert, a training session manager, a trainee model, and a training scenario generator. The design of this architecture was guided and its efficacy tested through the development of a system for use by Mission Control Center Flight Dynamics Officers in training to perform Payload-Assist Module Deploys from the orbiter.

Loftin, R. Bowen↗

NASA NTRS2011

Spin Start Line Effects on the J2X Gas Generator Chamber Acoustics

The J2X Gas Generator engine design has a spin start line connected near to the turbine inlet vanes. This line provides helium during engine startup to begin turbomachinery operation. The spin start line also acts as an acoustic side branch which alters the chamber's acoustic modes. The side branch effectively creates 'split modes' in the chamber longitudinal modes, in particular below the first longitudinal mode and within the frequency range associated with the injection-coupled response of the Gas Generator. Interaction between the spin start-modified chamber acoustics and the injection-driven response can create a higher system response than without the spin start attached to the chamber. This work reviews the acoustic effects of the spin start line as seen throughout the workhorse gas generator test program. A simple impedance model of the spin start line is reviewed. Tests were run with no initial spin start gas existing in the line, as well as being initially filled with nitrogen gas. Tests were also run with varying spin start line lengths from 0" to 40". Acoustic impedance changes due to different spin start gas constituents and line lengths are shown. Collected thermocouple and static pressure data in the spin start line was used to help estimate the fluid properties along the line length. The side branch impedance model was coupled to a chamber impedance model to show the effects on the overall chamber response. Predictions of the spin start acoustic behavior for helium operation are shown and compared against available data.

Kenny, R. Jeremy↗

NASA NTRS2025

Photophoretic Propulsion Enabling Mesosphere Exploration NIAC Phase I Final Report

This Phase I report presents a comprehensive study on photophoretic flyers—innovative, ultralight, solar-powered vehicles that harness photophoretic forces generated via Knudsen pumping to achieve sustained flight in the mesosphere (50–80 km altitude). By integrating advanced materials such as nanocardboard— characterized by its extremely low areal density (~1 g/m²) and high bending stiffness—with ultrathin light-absorbing coatings, the project converts incident solar radiation directly into a directed thrust. Extensive experimental investigations, coupled with high-fidelity computational fluid dynamics (CFD) simulations using ANSYS Fluent, validate the concept across various three-dimensional geometries, including spherical, conical, and rocket-shaped configurations. These simulations bridge the gap between free-molecular and continuum flow regimes, demonstrating that optimized designs can generate lift forces sufficient to support kilogram-scale payloads even in low-pressure environments. At the heart of this innovation is the use of Knudsen pumping, where temperature gradients across porous surfaces induce directional gas flow, creating a modest overpressure that provides lift. The report introduces an analytical framework that interpolates between the well-known low-Reynolds number drag regime and the high-Reynolds number momentum theory. This model accurately predicts lift based on design parameters such as microchannel dimensions, porous wall geometry, areal density, and nozzle exit area. For instance, simulations indicate that 10-meter-scale structures with carefully engineered porous walls can achieve the necessary pressure differential to support scientifically significant payloads (~1 kg). The study also explores a hybrid propulsion approach that combines solar buoyancy with photophoretic lift. Initially, solar heating creates a buoyant force that elevates the flyer to mesospheric altitudes. Once in the optimal pressure range, the photophoretic mechanism—powered by Knudsen pumping—takes over as the primary source of lift, ensuring stable, long-duration flight. This dual-mode operation not only facilitates the deployment of photophoretic flyers but also broadens the potential applications for mesospheric exploration. In addition to propulsion, the report investigates the integration of photophoretic thrusters for trajectory control of existing research balloons in the upper stratosphere. By dynamically adjusting the nozzle orientation and controlling the flow-through velocity, these thrusters provide precise maneuverability, enabling the flyers to counteract atmospheric disturbances and adjust their flight paths in real time. For example, a photophoretic thruster approximately 7.5 by 7.5 meters in size could be unfolded below a payload gondola of a 60 million-cubic-foot zero-pressure balloon. Such a thruster can provide horizontal speed control of approximately 1 m/s using only sunlight and no moving parts (except those needed to track the Sun and control the jet direction). Importantly, photophoretic thrusters operate more efficiently at higher altitudes, which is complementary to known trajectory control techniques, such as propellers and tethered wings, which are more effective at lower altitudes. Finally, the report identifies three scientific research thrusts where mesospheric aircraft technology can have a profound impact: atmospheric tides, characterization of gravity waves, and investigation of mesospheric instabilities. Overall, the findings of this Phase I project represent a significant advancement in photophoretic propulsion technology. By demonstrating that large-scale, ultralight structures can be powered solely by solar radiation—via carefully engineered Knudsen pumping—this work lays a robust foundation for scalable, near-space flight architectures. Future refinements in material fabrication, structural optimization, and integrated trajectory control are expected to further enhance performance, paving the way for operational demonstrations that could revolutionize atmospheric science, remote sensing, and communication networks.

Knudsen Pump↗

DOE OSTI2019

Enhancement of EM Pump Performance through Modeling and Testing

Liquid sodium has seen development as a nuclear reactor coolant in the United States for over 50 years. While sodium has many desirable characteristics as a heat transfer fluid, its reactivity poses numerous engineering challenges for even the most basic plant components like pumps. Despite the challenges, mechanical pumps have seen success in sodium service albeit at the expense of simplicity and flexibility. In fact, significant failures of these pumps have been recorded which can be attributed to their complexity. Notwithstanding the complexity, mechanical pumps are still widely proposed for the main circuit pump of sodium cooled reactors. However, an alternative to mechanical pumps are Electromagnetic Induction Pumps (EMIPs) which use the principle of the Lorentz Force. EMIPs avoid mechanically moving parts in contact with sodium which simplifies the design by avoiding mechanical wear and seals. Therefore, these pumps are generally safer and more reliable than their mechanical counterparts. That being said, EMIPs suffer from relatively low efficiencies that range from 5% to 45%. Some of the inefficiencies are inherent to the EMIPs pumps; namely, inefficiencies arise in the form of resistive heating losses in the fluid itself. However, other inefficiencies arise from Edge Effects which include Finite Length and Finite Width effects. Due to the significant safety advantages EMIPs have compared to mechanical pumps, there is a strong motivation to integrate these technologies into the design of Generation IV liquid-metal-cooled nuclear power plants. However, EMIPs have low efficiencies partly attributed to Edge Effects. Much of the literature focusing on Edge Effects is dated or simply does not exist in the public domain. More recently, numerical models of EMIPs have shown promising results. However, these models are often custom solvers or use complex software suits which limit their application. This report describes the work completed to understand Edge Effects in two EMIPs designs. These designs are the Annular Linear Induction Pump (ALIP) and Permanent Magnet Induction Pump (PMIP) also known as a Moving Magnet Pump (MMP). The methodology developed during this project aim at measuring key performance parameters (pressure-flowrate and efficiency-slip performance) using high temperature liquid-sodium. Baseline experimental measurements were then used to verify the accuracy of numerical models developed in the software suit ANSYS/FLUENT. On the experimental side, instrumentation was developed to characterize the pressure-flowrate and efficiency-slip performance of both the ALIP and PMIP in high-temperature liquid-sodium. Additionally, instrumentation was developed to measure potential output pressure pulsations and the magnetic field distributions. Moreover, a specialized ALIP was constructed to study the impacts magnetic field tapering, also known as coil grading, on the Finite Length Effect. Lastly, experimental performance curves of the PMIP were collected at 300 oC and 600 oC and compared to analytical theory which accounted for Finite Width Effects. These results showed that the Finite Width Effect and non-uniform magnetic field in a PMIP impact the performance. On the numerical side, models were developed using the software suit FLUENT/ANSYS. These methods were initially compared against a simple MHD flow in a Permanent Magnet Electromagnet Flowmeter (PMEMFM). The results were significant in that they showed agreeance between the numerical model and demonstrated that PMEMFM’s could be calibrated numerically. These modeling methods were then applied to a prototypic PMIP. Results showed that this simple model provided reasonably accurate results of the PMIP p-Q performance.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1974

Preliminary design of a 100 kW turbine generator

The National Science Foundation and the Lewis Research Center have engaged jointly in a Wind Energy Program which includes the design and erection of a 100 kW wind turbine generator. The machine consists primarily of a rotor turbine, transmission, shaft, alternator, and tower. The rotor, measuring 125 feet in diameter and consisting of two variable pitch blades operates at 40 rpm and generates 100 kW of electrical power at 18 mph wind velocity. The entire assembly is placed on top of a tower 100 feet above ground level.

Puthoff, R. L.↗

NASA NTRS1999

Wind-Tunnel Overpressure Signatures From a Low-Boom HSCT Concept With Aft-Fuselage-Mounted Engines

A 1:300 scale wind-tunnel model of a conceptual High-Speed Civil Transport (HSCT) designed to generate a shaped, low-boom pressure signature on the ground was tested to obtain sonic-boom pressure signatures in the Langley Research Center Unitary Plan Wind Tunnel at a Mach number of 1.8 and a separation distance of about two body lengths or four wing-spans from the model. Two sets of engine nacelles representing two levels of engine technology were used on the model to determine the effects of increased nacelle volume. Pressure signatures were measured for (model lift)/(design lift) ratios of 0.5, 0.63, 0.75, and 1.0 so that the effect of lift on the pressure signature could be determined. The results of these tests were analyzed and used to discuss the agreement between experimental data and design expectations.

Mack, Robert J.↗

NASA NTRS1978

Design concepts of solar thermoelectric generators in space applications

Several thermoelectric technologies have been examined as to their suitability for use in a solar thermoelectric generator (STG) as a nonpropulsive power source for space applications. The results show that of all the presently available thermoelectric technologies, i.e., lead telluride, bismuth telluride, selenide, and silicon-germanium alloys, the latter type provides the optimum STG. Detailed results are presented on the performance and configurational characteristics of various silicon-germanium alloy STGs, including the performance of such STGs as a function of time in a Mercury orbit and the orbit of Mercury around the sun. It is shown that an STG design based on the use of silicon germanium alloy thermoelectric material, using multiple high voltage thermopiles with individual solar concentrators, presents the optimum combination of technology and configuration for minimizing power source mass. Additional concepts studied and discussed are the flat plate individual thermopile type and single concentrator compact thermopile type. The STG possesses an attractive potential for this application and represents a useful addition to the family of power sources for consideration in various space applications.

Raag, V.↗

NASA NTRS1994

Improving Diffusing S-duct Performance by Secondary Flow Control

The objective of this research was to study ways to reduce inlet flow distortion (i.e., total pressure nonuniformity) and improve total pressure recovery in a diffusing S-duct. This was accomplished by controlling the development of secondary flows within the duct through the use of tapered-fin type vortex generators. Reported are results for the bare duct and seven different configurations of vortex generators. Data presented for each configuration include surface static pressure, surface flow visualization, and exit plane total pressure and transverse velocity. The performance of each configuration was assessed by calculating total pressure recovery and inlet distortion descriptors from the data and comparing them to the values for the bare duct. The best configuration tested reduced distortion (as measured by the DC(45) and DC(90) descriptors) by more than 50 percent while improving total pressure recovery by 0.5 percent. These results should provide valuable guidance in designing vortex generator installations in ducts and for assessing the accuracy of computational fluid dynamics (CFD) methods to calculate duct flows with installed vortex generators.

Reichert, Bruce A.↗

NASA NTRS2003

From Oxygen Generation to Metals Production: In Situ Resource Utilization by Molten Oxide Electrolysis

For the exploration of other bodies in the solar system, electrochemical processing is arguably the most versatile technology for conversion of local resources into usable commodities: by electrolysis one can, in principle, produce (1) breathable oxygen, (2) silicon for the fabrication of solar cells, (3) various reactive metals for use as electrodes in advanced storage batteries, and (4) structural metals such as steel and aluminum. Even so, to date there has been no sustained effort to develop such processes, in part due to the inadequacy of the database. The objective here is to identify chemistries capable of sustaining molten oxide electrolysis in the cited applications and to examine the behavior of laboratory-scale cells designed to generate oxygen and to produce metal. The basic research includes the study of the underlying high-temperature physical chemistry of oxide melts representative of lunar regolith and of Martian soil. To move beyond empirical approaches to process development, the thermodynamic and transport properties of oxide melts are being studied to help set the limits of composition and temperature for the processing trials conducted in laboratory-scale electrolysis cells. The goal of this investigation is to deliver a working prototype cell that can use lunar regolith and Martian soil to produce breathable oxygen along with metal by-product. Additionally, the process can be generalized to permit adaptation to accommodate different feedstock chemistries, such as those that will be encountered on other bodies in the solar system. The expected results of this research include: (1) the identification of appropriate electrolyte chemistries; (2) the selection of candidate anode and cathode materials compatible with electrolytes named above; and (3) performance data from a laboratory-scale cell producing oxygen and metal. On the strength of these results it should be possible to assess the technical viability of molten oxide electrolysis for in situ resource utilization on the Moon and Mars. In parallel, there may be commercial applications here on earth, such as new green technologies for metals extraction and for treatment of hazardous waste, e.g., fixing heavy metals.

Khetpal, Deepak↗

NASA NTRS1998

Analysis of a Rocket Based Combined Cycle Engine during Rocket Only Operation

The all rocket mode of operation is a critical factor in the overall performance of a rocket based combined cycle (RBCC) vehicle. However, outside of performing experiments or a full three dimensional analysis, there are no first order parametric models to estimate performance. As a result, an axisymmetric RBCC engine was used to analytically determine specific impulse efficiency values based upon both full flow and gas generator configurations. Design of experiments methodology was used to construct a test matrix and statistical regression analysis was used to build parametric models. The main parameters investigated in this study were: rocket chamber pressure, rocket exit area ratio, percent of injected secondary flow, mixer-ejector inlet area, mixer-ejector area ratio, and mixer-ejector length-to-inject diameter ratio. A perfect gas computational fluid dynamics analysis was performed to obtain values of vacuum specific impulse. Statistical regression analysis was performed based on both full flow and gas generator engine cycles. Results were also found to be dependent upon the entire cycle assumptions. The statistical regression analysis determined that there were five significant linear effects, six interactions, and one second-order effect. Two parametric models were created to provide performance assessments of an RBCC engine in the all rocket mode of operation.

Smith, T. D.↗

NASA NTRS2006

Mapping the Rainforest of the Sea: Global Coral Reef Maps for Global Conservation

Coral reefs are the center of marine biodiversity, yet are under threat with an estimated 60% of coral reef habitats considered at risk by the World Resources Institute. The location and extent of coral reefs in the world are the basic information required for resource management and as a baseline for monitoring change. A NASA sponsored partnership between remote sensing scientists, international agencies and NGOs, has developed a new generation of global reef maps based on data collected by satellites. The effort, dubbed the Millennium Coral Reef Map aims to develop new methods for wide distribution of voluminous satellite data of use to the conservation and management communities. We discuss the tradeoffs between remote sensing data sources, mapping objectives, and the needs for conservation and resource management. SeaWiFS data were used to produce a composite global shallow bathymetry map at 1 km resolution. Landsat 7/ETM+ data acquisition plans were modified to collect global reefs and new operational methods were designed to generate the firstever global coral reef geomorphology map. We discuss the challenges encountered to build these databases and in implementing the geospatial data distribution strategies. Conservation applications include a new assessment of the distribution of the world s marine protected areas (UNEPWCMC), improved spatial resolution in the Reefs at Risk analysis for the Caribbean (WRI), and a global basemap for the Census of Marine Life's OBIS database. The Millennium Coral Reef map and digital image archive will pay significant dividends for local and regional conservation projects around the globe. Complete details of the project are available at http://eol.jsc.nasa.gov/reefs.

Robinson, Julie A.↗

DOE OSTI2021

Model-informed, Adaptive Physical Vapor Deposition to Fabricate Hierarchical Binary-alloy Thin-films

Designing next generation thin films, tailor-made for specific applications, relies on the availability of robust processing-structure-property relationships. Traditional structure zone diagrams are limited to low-dimensional mappings, with machine-learning methods only recently attempting to relate multiple processing parameters to the final microstructure. Despite this progress, structure-processing relationships are unknown for processing conditions that vary during thin-film deposition, limiting the range of microstructures and properties achievable. In this project, we employed a phase-field computational model combined with a genetic algorithm (GA) to identify and design time-dependent processing protocols that achieve tailor-made microstructures. We simulate the physical vapor deposition of a binary-alloy thin film by employing a phase-field model, where deposition rates and diffusivities are controlled via the genetic algorithm. Our GA-guided protocols achieve targeted microstructures with lateral and vertical concentration modulations, as well as more complex, hierarchical microstructures previously not described in simple structure zone diagrams. Our algorithm provides insight to experimentalists looking for additional avenues to design novel thin-film microstructures.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Computational design of potent and selective binders of BAK and BAX

Potent and selective binders of the key proapoptotic proteins BAK and BAX have not been described. We use computational protein design to generate high affinity binders of BAK and BAX with greater than 100-fold specificity for their target. Both binders activate their targets when at low concentration, driving pore formation, but inhibit membrane permeabilization when in excess. Crystallography shows that the BAK binder induces BAK unfolding, exposing the α6 helix and BH3 domain. Together, these data suggest that upon binding, BAK or BAX unfold; at high binder concentrations, self-association of the partially folded BAK or BAX proteins is blocked and the membrane remains intact, whereas at low concentrations, dimers form, and the membrane ruptures. Our designed binders modulate apoptosis via direct, specific interactions with BAK and BAX and reveal that for therapeutic strategies targeting BAK and BAX, inhibition requires saturating binder concentrations at the site of action.

Berger, Stephanie↗