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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13

Next Gen One Portal Usability Evaluation

Each exercise device on the International Space Station (ISS) has a unique, customized software system interface with unique layouts / hierarchy, and operational principles that require significant crew training. Furthermore, the software programs are not adaptable and provide no real-time feedback or motivation to enhance the exercise experience and/or prevent injuries. Additionally, the graphical user interfaces (GUI) of these systems present information through multiple layers resulting in difficulty navigating to the desired screens and functions. These limitations of current exercise device GUI's lead to increased crew time spent on initiating, loading, performing exercises, logging data and exiting the system. To address these limitations a Next Generation One Portal (NextGen One Portal) Crew Countermeasure System (CMS) was developed, which utilizes the latest industry guidelines in GUI designs to provide an intuitive ease of use approach (i.e., 80% of the functionality gained within 5-10 minutes of initial use without/limited formal training required). This is accomplished by providing a consistent interface using common software to reduce crew training, increase efficiency & user satisfaction while also reducing development & maintenance costs. Results from the usability evaluations showed the NextGen One Portal UI having greater efficiency, learnability, memorability, usability and overall user experience than the current Advanced Resistive Exercise Device (ARED) UI used by astronauts on ISS. Specifically, the design of the One-Portal UI as an app interface similar to those found on the Apple and Google's App Store, assisted many of the participants in grasping the concepts of the interface with minimum training. Although the NextGen One-Portal UI was shown to be an overall better interface, observations by the test facilitators noted specific exercise tasks appeared to have a significant impact on the NextGen One-Portal UI efficiency. Future updates to the NextGen One Portal UI will address these inefficiencies.

Cross, E. V., III↗

Current Safety Nets Within the U.S. National Airspace System

There are over 70,000 flights managed per day in the National Airspace System, with approximately 7,000 aircraft in the air over the United States at any given time. Operators of each of these flights would prefer to fly a user-defined “4D” trajectory (4DT), which includes arrival and departure times; preferred gates and runways at the airport; efficient, wind-optimal routes for departure, cruise and arrival phase of flight; and fuel efficient altitude profiles. To demonstrate the magnitude of this achievement a single flight from Los Angeles to Baltimore, accesses over 35 shared or “constrained” resources that are managed by roughly 30 air traffic controllers (at towers, approach control and en route sectors); along with traffic managers at 12 facilities, using over 22 different, independent automation system (including TBFM, ERAM, STARS, ASDE-X, FSM, TSD, GPWS, TCAS, etc.). In addition, dispatchers, ramp controllers and others utilize even more systems to manage each flight’s access to operator-managed resources. Flying an ideal 4DT requires successful coordination of all flight constraints among all flights, facilities, operators, pilots and controllers. Additionally, when conditions in the NAS change, the trajectories of one or more aircraft may need to be revised to avoid loss of flight efficiency, predictability, separation or system throughput. The Aviation Safety Network has released the 2016 airliner accident statistics showing a very low total of 19 fatal airliner accidents, resulting in 325 fatalities1. Despite several high profile accidents, the year 2016 turned out to be a very safe year for commercial aviation, Aviation Safety Network data show. Over the year 2016 the Aviation Safety Network recorded a total of 19 fatal airliner accidents [1], resulting in 325 fatalities. This makes 2016 the second safest year ever, both by number of fatal accidents as well as in terms of fatalities. In 2015 ASN recorded 16 accidents while in 2013 a total of 265 lives were lost. How can we keep it that way and not upset the apple cart by premature insertion of innovative technologies, functions, and procedures? In aviation, safety nets function as the last system defense against incidents and accidents. Current ground-based and airborne safety nets are well established and development to make them more efficient and reliable continues. Additionally, future air traffic control safety nets may emerge from new operational concepts.

Smith, Brian E.↗

Machine Learning Prototype App For Recognition of Fruits

As the incidence of obesity and associated negative health consequences is rising, it becomes crucial to monitor the dietary choices of individuals. Unfortunately, traditional methods to collect this information involve collecting food frequency questionnaires from individuals using paper. Electronic food trackers have been developed to collect food data, but they require participants to manually label and describe the content of their meals, and which may be difficult for researchers to interpret in a standardized fashion. Machine learning, however, provides an easy and efficient method for both participants and researchers to label food items with standardized descriptions. This project aims to create a prototype phone application that can identify and label photos of apples. This is done by making a machine learning model through Turicreate, a python module, which is then implemented into an iOS app through Xcode and Swift. The modules used in Swift include CoreML and AVFoundation. This machine learning application will be incorporated with a MealLogger phone app that is also under development. The MealLogger app will be used to keep track of participants' calorie intake and other personal details throughout the sleep study. The machine learning model will present several potential identities of the foods found in the photo, and the user will only need to select the correct option. This will be a user-friendly method for participants to easily log their food consumption without the hard work of manually inputting each and every description. Some limitations to this project include the wide variety of food, including those within different cultures. To deal with this, the model will include the most generic food categories, which the participant may select, and produce a drop-down menu of more specific dishes under that specified category, with the option of self-input. Additional questionnaires may be implemented according to the food type selected This will allow the process to be quick and easy, but also specific for the purpose of analysis. The release of the application will require a much longer process, but the machine learning prototype presents a first step toward an application that may change data analysis for researchers interested in collecting food intake from individuals living in the real world.

Food tracker↗

Exoplanet Standard Definitions and Evaluation Team

In the 2015 run-up to chartering of large mission studies, it became obvious that likely studies (HabEx, LUVOIR) would consider overlapping science cases (e.g. spectroscopy of exo-Earths). The exoplanet community has had some recent experience with apple-to-oranges/apples comparisons: parallel studies, different architectures (telescope, coronagraph masks, starshades). The challenge of parallel studies is to remain consistent over time. The topic was discussed by PAGs and Senior Management: request for “common yardstick, honest broker.” The Management Plan now includes an “Exoplanet Standard Definitions and Evaluation Team.”

Blackwood, Gary↗

The Cognition and Fine Motor Skills Test Batteries: Normative Data and Interdependencies

Space mission success and safety relies upon astronaut functional state. Since spaceflight stressors affect cognitive processing and fine motor skills, NASA requires that measures of performance of these things remain within clinically accepted values (NASA STD 3001). NASA is in the process of developing two test batteries for the assessment of crew cognitive and fine motor skills before, during and after spaceflight. Toward that goal, the current project collected normative scores in 91 “astronaut-like” military and civilian pilots. The Cognition Test Battery (CTB) contains ten sub-tests that measure a range of cognitive abilities. For five of the ten CTB sub-tests, we propose scores to improve the battery’s sensitivity. Among the ten sub-tests, response times were more highly correlated than accuracy scores. Principle component analysis of the correlations revealed that the first response time factor could explain over 40% of the total variance and appeared to represent the tendency of observers to try to respond more quickly. The first accuracy factor (explaining only 20%) gave a high weight to the higher level cognitive sub-tests and a negative weight to tasks associated with motor and lower level cognitive processing. The Fine Motor Skills (FMS) test battery contains four sub-tests (Tracking, Pointing, Tracing, Rotating) performed on an Apple iPad tablet computer. Principle component analysis on the sub-test response time correlations revealed that the first two factors accounted for ~80% of the variance in performance. The first component captured overall speed on all four of the sub-tests. The second factor separated the sub-tasks into two groups (Drag-Point vs Trace-Rotate). Previous work found the first group response times correlated with that of a standard peg board task, while those of the other group did not. Correlations were computed between the first FMS factor and the response time and accuracy scores from each CTB sub-task. Performing fine motor behaviors rapidly was significantly correlated with the ability to perform many of the CTB sub-tests rapidly. This ability cannot be simple motor speed since scores on the Psychomotor Vigilance Test (PVT) subtask did not correlate with the ability to perform the other tasks rapidly. Speed on fine motor skills correlated significantly with accuracy on the short-term-memory sub-test. We hypothesize that eye movements, which can be regarded as a fine motor skill, may explain this relationship.

cognition↗

SNPP VIIRS RSB on-orbit radiometric calibration algorithms Version 2.0 and the performances. Part II: The performances

In Part I (Lei et. al, submitted to J. of Appl. Rem. Sens.),we gave detailed reviews of the algorithms Version 2.0 used for the on-orbit radiometric calibration of the reflective solar bands (RSBs) of the first Visible Infrared Imaging Radiometer Suite instrument. These algorithms improve the accuracy of the measured on-orbit change factor of the solar diffuser bidirectional reflectance distribution function, the H-factor, and reveal that the H-factor is angle dependent. With the help of lunar observations and the improved H-factor, the algorithms give more accurate values for the RSB detector on-orbit F-factor changes (F-factor is a correction factor to the initially retrieved scene spectral radiance). In this paper we review the RSB radiometric calibration performances. We show the H-factor temporal trend, the estimated uncertainty of the retrieved H-factor, and the F-factor temporal trend. Additionally we show the detector signal-to-noise ratio (SNR), the estimated uncertainty of the top-of-the-atmosphere solar spectral reflectance, the reflectance temporal trend for the Libya 4 desert, and the differences in the reflectances among the SNPP and the NOAA-20 VIIRS, and the Aqua MODIS. Our results show that although the SNRs trend downwards, they exceed the requirements by large margins. The reflectances from the Libya 4 desert show that the SNPP VIIRS’ reflectance is higher than those of the Aqua MODIS and the NOAA-20 VIIRS.

on-orbit calibration↗

SNPP VIIRS RSB on-orbit radiometric calibration algorithms Version 2.0 and the performances. Part II: The performances

In Part I (Lei et. al, submitted to J. of Appl. Rem. Sens.),we gave detailed reviews of the algorithms Version 2.0 used for the on-orbit radiometric calibration of the reflective solar bands (RSBs) of the first Visible Infrared Imaging Radiometer Suite instrument. These algorithms improve the accuracy of the measured on-orbit change factor of the solar diffuser bidirectional reflectance distribution function, the H-factor, and reveal that the H-factor is angle dependent. With the help of lunar observations and the improved H-factor, the algorithms give more accurate values for the RSB detector on-orbit F-factor changes (F-factor is a correction factor to the initially retrieved scene spectral radiance). In this paper we review the RSB radiometric calibration performances. We show the H-factor temporal trend, the estimated uncertainty of the retrieved H-factor, and the F-factor temporal trend. Additionally we show the detector signal-to-noise ratio (SNR), the estimated uncertainty of the top-of-the-atmosphere solar spectral reflectance, the reflectance temporal trend for the Libya 4 desert, and the differences in the reflectances among the SNPP and the NOAA-20 VIIRS, and the Aqua MODIS. Our results show that although the SNRs trend downwards, they exceed the requirements by large margins. The reflectances from the Libya 4 desert show that the SNPP VIIRS’ reflectance is higher than those of the Aqua MODIS and the NOAA-20 VIIRS

Ning Lei↗

Electronically Tunable Color Filter with Surface Plasmon Waves

Last year, I had reported a novel phenomenon of voltage-induced color-selective absorption with surface plasmons (Appl. Phys. Lett. 67, 2749)...A prototype ( of a tunable notch filter) has been built using liquid crystal as the EO material.

Surface↗

Broadening JPL’s Mission Formulation Paradigm with Human Centered Design

Within NASA’s highly competitive environment for funding, Human Centered Design (HCD) and cybernetics could provide advantages to proposers during the mission formulation phase. Opportunities are limited when it comes to funding new science missions. Proposers are challenged to make a compelling case about the scientific desirability, technical feasibility, and resource viability of their concepts. Organizations follow established processes for proposal development using teams that typically include scientists, engineers, and managers. These team members are highly experienced subject matter experts (SME) in their own disciplines, and can respond to requirements from the solicitation. However, they are typically not trained as designers and communicators. Their approach is rooted within NASA’s science and technology paradigm. How can we improve the proposal development process, refine workflow between team members, and deliver clear and appealing offerings to the stakeholders and evaluators? These questions have been addressed by today’s most innovative companies (e.g., Apple, Google, 3M, Dyson), where the design process is not limited simply to engineering and management, but involves an all-encompassing approach drawing from fields such as social sciences, design, and the arts. Like these commercial enterprises, NASA currently employs systems thinking and integrated design, but can benefit further by moving beyond its current practices, which are mostly driven by rigid engineering, technology, science, and project management considerations. At JPL’s Innovation Foundry and through the Solar System Mission Formulation Office, we broadened this paradigm by including HCD in the mission formulation workflow. Our goal was to create a proposal with improved clarity and appeal, thus helping our team to communicate its message and aid evaluators with their work. In this paper we provide examples and lessons learned from our recent proposal development effort using HCD. We discuss touch points where we infused non-linear designerly approaches and cybernetic circularity into the workflow. Implemented design topics include operational design for team building; process design throughout distinct phases of the proposal development and writing process; communication design for streamlined exchange of information within the team and to stakeholders; interaction design; graphic design; and creating boundary objects. While these approaches may feel new or foreign to SMEs and managers in the aerospace community, they produced significant benefits in this mission formulation effort. We will describe how such approaches can be used to broaden NASA’s technology-driven paradigm through design, thus creating an environment which fosters innovation, improved communication, and strategic advantage for proposers and their organizations.

Turner, Neal↗

PVT+AUDIO. Online Psychoacoustic Testing iOS App for Evaluating AAM/UAM Noise Resonse

PVT+AUDIO is an extension of the existing Psychomoter Vigilance Task application that NASA released over 2 years ago for evaluating pilot fatigue. PVT+AUDIO is designed to present audio stimuli using a method of limits to determine the relationship between objective acoustic parameters and psychacoustic response, for application to Urban Air Mobility (UAM) and Advanced Air Mobility (AAM). Responses include annoyance, acceptance, blend with ambient sound, and detection. The app runs within Apple's iOS ecosystem and utilizes binaural audio simulations of vehicles and ambient sound, and is designed to compensate for headphone response. A prototype experiment is described, along with issues related to calibration and subject engagement.

aircraft noise disturbance↗

Applicability of Micro X-Ray Fluorescence Spectroscopy to Astromaterials Curation and Research

Introduction: The Astromaterials Acquisition and Curation Office at NASA’s Johnson Space Center (JSC) curates NASA’s astromaterial sample collections which includes: Apollo samples, Luna samples, Ant-arctic meteorites, cosmic dust particles, microparticle impacts into space-flown materials, Genesis solar wind atoms, Stardust comet Wild-2 particles, Stardust inter-stellar particles, Hayabusa asteroid Itokawa particles, Hayabusa 2 asteroid Ryugu particles, and future OSIRIS-Rex asteroid Bennu particles (landing in Sep-tember, 2023) [1–3]. To enhance JSC’s advanced cu-ration capabilities, we have recently installed a high-performance micro-X-ray fluorescence (µXRF) spec-trometer to assist in sample characterization through rapid, non-destructive, in-situ elemental analyses that do not require the sample preparation protocols (i.e., polishing and carbon-coating) commonly needed for electron beam analyses. With this new instrument, we are capable of detecting all elements down to carbon in a variable-pressure or He-purged chamber for anal-ysis of a wide range of sample types. Here we describe the instrumental set-up, capabilities, and applicability of µXRF analysis to astromaterials curation and re-search. Instrumentation and Methodology: The X-ray fluorescence and computed tomography lab (X-FaCT) lab at JSC is now equipped with a Bruker M4 Tornado Plus µXRF (Fig. 1). This system is an energy-dispersive x-ray spectrometer equipped with two 60 mm2 silicon drift detectors (SDD) that are able to be used simulta-neously for output count rates ~500,000 cps. New light element windows allow detecting and analyzing the entire elemental range from carbon to americium. Two x-ray tubes (micro-focus Rh with polycapillary lenses and W with collimators of 0.5, 1.0, 2.0, and 4.5 mm) with max excitation parameters of 50 kV, 30 W and 50 kV, 40 W, respectively, allow for more flexibility of the analysis of high energy lines. The motorized X-Y-Z stage has a mapping range of 190 x 160 mm and can support samples up to 7 kg (~15.5 lbs) and a height of 120 mm [4]. Analytical modes include elemental analysis (down to ~20 µm spot size) via point, line, or area of bulk materials (rock surfaces, thin sections, thick sections, etc.) as well as coating analysis (determination of thickness and composition) of samples. This system has a variable vacuum chamber (1 mbar to 1 atm) that is also equipped with a He-purge system which accommodates vacuum sensitive samples while still allowing detection of light elements at atmospheric pressure. Utility and Applicability of µXRF in Astro-materials research and exploration science (ARES): Elemental analysis using µXRF is commonly em-ployed for both terrestrial and planetary geological science disciplines [5]. It is especially useful for analy-sis of astromaterials given the limited sample prepara-tion required, which is not feasible for certain materi-als. Here we show select applications of µXRF anal-yses of astromaterials that can, have, and will be done at JSC’s X-FaCT lab. Point analysis: In-situ spot analyses (~20 µm spot size) on a cut slab of Martian meteorite NWA 10922 allowed for the discovery, qualitative elemental analy-sis and determination of different feldspar minerals [6]. These point analyses served as an effective prelim-inary step for subsequent quantitative analyses. Ana-lytical standards can be employed for more accurate quantification of µXRF spot analyses. Area analysis: This analytical mode measures all detectable elements (from C to Am) at each pixel (>5 µm pixel size) in a user-defined area. The results are shown as elemental maps which can be extracted as 16-bit TIFF’s for further data processing. In Fig. 2. we show elemental distribution maps of the high-Ti basalt 73001,531 that have been processed using ImageJ software. From these maps you can accurately and quickly (this map took ~50 mins.) identify mineral components, such as pyroxene, plagioclase, oxides, and phosphates, compositional zoning, and mineral textures. Detection of high-Z phases: µXRF techniques are es-pecially effective at analyzing trace minerals with high-atomic-number (high-Z) elements because the high-energy characteristic X-rays used (relative to SEM EDS) allow for mapping of K lines in elements up to La (typically SEM maps use L X-ray lines for elements >Zn, and these can often have interferences). Thus, µXRF is especially suited for identifying minerals like zircon, baddeleyite, REE-rich phosphates, Fe-rich met-als, oxides, sulfides, and phosphides [4]. In Fig. 3 we show elemental distribution maps for 73001,530 where we are able to correlate the original video image with, Zr, Si, Y and Hf elemental maps together identi-fying the location of a zircon. In this location you would expect lower Si compared to surrounding mate-rial, as well as higher Zr, Y, and Hf content compared to surrounding material, all of which is confirmed by our XRF ele-mental distribution maps (Figure 2.) Conclusions: The new M4 Tornado Plus µXRF within the Astromaterials Acquisition and Curation office at NASA JSC allows for rapid and non-destructive elemental analysis of astromaterials with limited or no sample preparation. µXRF analyses pro-vide crucial compositional knowledge for the prelimi-nary examination and curation of astromaterials. This instrument enhances the advanced curation capabili-ties in the X-FaCT laboratory at JSC by allowing pro-ductive, cohesive, and non-destructive multi-modal x-ray analyses on astromaterial samples, which is neces-sary for the comprehensive curation and study of our current and future astromaterial collections. Addition-ally, µXRF can provide complimentary information to researchers for studies on astromaterials. References: [1] Allen, C. et al., (2011). Chemie De Erde Geochemistry, 71, 1-20. [2] McCubbin, F. M. et al., (2016) 47th LPSC, abstract #2668 [3] Zeigler, R. A. et al., (2017) 48th LPSC, abstract #2772 [4] Bruker User Manual [5] Young et al., (2016) Appl. Geochemistry, 72, 77-87 [6] Mor-ris, R. V. et al., (2023) 54th LPSC.

E W O'Neal↗

Effects of Spaceflight Relevant Carbon Dioxide Levels on Pathogenesis Related Microbial Characteristics

Background - Spaceflight can alter microbial pathogenesis - Microgravity (Nickerson et al. 2000 Infect Immun 68(6):3147-52; Crabbe 2011 Appl Environ Mirobiol 77(4):1221-30; Gilbert 2020 NPJ Micrograv 6:4) - Radiation (Dornmayr-Pfaffenhuemer 2011 Astrobiol 11(3):199-205; Romsdahl 2020 Front Microbiol 11:931; Perrone 2020 Microorganisms 8(10):1496) - Elevated CO2 (0.4%, compared to earth at 0.04%) - The effect of slightly elevated CO2 concentrations on microbial pathogenesis has not been studied.

carbon dioxide↗

Three-Wavelength Approach for Aerosol-Cloud Discrimination in the Sage III/ISS Aerosol Extinction Dataset

The tropical upper troposphere and lower stratosphere (UTLS) region is dominated by aerosols and clouds affecting Earth’s radiation budget and climate. Thus, satellites’ continuous monitoring and identification of these layers is crucial for quantifying their radiative impact. However, distinguishing between aerosols and clouds is challenging, especially under the perturbed UTLS conditions during post-volcanic eruptions and wildfire events. Aerosol-cloud discrimination is primarily based on their disparate wavelength-dependent scattering and absorption properties. In this study, we use aerosol extinction observations in the tropical (15°N-15°S) UTLS from June 2017 to February 2021, available from the latest generation of the Stratospheric Aerosol and Gas Experiment (SAGE) instrument-SAGE III onboard the International Space Station (ISS) to study aerosols and clouds. During this period, the SAGE III/ISS provided better coverage over the tropics at additional wavelength channels (relative to previous SAGE missions) and witnessed several volcanic and wildfire events that perturbed the tropical UTLS. We explore the advantage of having an extinction coefficient at an additional wavelength channel (1550 nm) from the SAGE III/ISS in aerosol-cloud discrimination using a method based on thresholds of two extinction coefficient ratios, R1R1 (520 nm/1020 nm) and R2R2 (1020 nm/1550 nm). This method was proposed earlier by Kent et al. [Appl. Opt. 36, 8639 (1997) [CrossRef] ] for the SAGE III-Meteor-3M but was never tested for the tropical region under volcanically perturbed conditions. We call this method the Extinction Color Ratio (ECR) method. The ECR method is applied to the SAGE III/ISS aerosol extinction data to obtain cloud-filtered aerosol extinction coefficients, cloud-top altitude, and seasonal cloud occurrence frequency during the entire study period. Cloud-filtered aerosol extinction coefficient obtained using the ECR method revealed the presence of enhanced aerosols in the UTLS following volcanic eruptions and wildfire events consistent with the Ozone Mapping and Profiler Suite (OMPS) and space-borne lidar-Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP). The cloud-top altitude obtained from the SAGE III/ISS is within 1 km of the nearly co-located observations from OMPS and CALIOP. In general, the seasonal mean cloud-top altitude from the SAGE III/ISS events peaks during the December, January, and February months, with sunset events showing higher cloud tops than the sunrise events, indicating the seasonal and diurnal variation of the tropical convection. The seasonal altitude distribution of cloud occurrence frequency obtained from the SAGE III/ISS also agrees well with CALIOP observations within 10%. We show that the ECR method is a simple approach that relies on thresholds independent of the sampling period, providing cloud-filtered aerosol extinction coefficients uniformly for climate studies irrespective of the UTLS conditions. However, since the predecessor of SAGE III did not include a 1550 nm channel, the usefulness of this approach is limited to short-term climate studies after 2017.

Clouds Aerosols↗

Plugin for Integrated Exoskeleton Simulations (PIES)

Upper extremity offload is a new capability to be developed for the Active Response Gravity Offload System (ARGOS) at the Johnson Space Center. To address the need, the Actuated Real-time Control for ARGOS Negation of Gravitational Effects on the Limbs (ARC-ANGEL) system is being designed and developed by the HumanWorks team in the Flight Systems Branch (ER3). The Plugin for Integrated Exoskeleton Simulations (PIES) is a multibody modeling and analysis capability developed by the Digital Astronaut Simulation (DAS) team in the Simulation and Graphics Branch (ER7). The C++ plugin is used in the open source biomechanics software, OpenSim (Stanford University), and integrates human multibody modeling with system dynamic modeling. The latest ‘flavor’ is the ANGEL with Passive and Powered Line of force Evaluation (APPLE) PIES.

Kaitlin Lostroscio↗

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↗

Tailoring Growth Interfaces of Virtual Substrates for Power Electronics

Power electronics materials are poised to play a critical role in fulfilling next generation energy needs, with up to 90% of future energy demand predicted to flow through power electronics at some point. AlxGa1-xN ranks high among candidate materials, having bipolar dopability, thermal and chemical stability and an ultra-wide bandgap. However, AlGaN growth is limited by a lack of lattice-matched substrates, ultimately stunting material quality at higher thicknesses needed for power electronics applications. Further, high power applications increasingly call for fully vertical device structures, necessitating a conductive substrate. Recently our group identified the (111) plane of TaC as a conductive surface lattice-matched to Al0.55Ga0.45N, taking inspiration from prior work of AlN and GaN binaries on carbide and boride substrates. In this talk we demonstrate the growth of (111)-oriented TaC by RF sputtering. We investigate the interface of TaC with sapphire and SiC substrates and identify means to suppress competing Ta2C nucleation in order to stabilize (111)-oriented TaC. Potential stacking sequences are identified with respect to crystal structure and observed twinning in the TaC films. We next assess structural changes and film recrystallization that results from face-to-face annealing of TaC thin films at high temperatures above 1500 degrees C. Changes to grain structure and domain size are assessed by x-ray diffraction and surface morphology is explored using atomic force microscopy. Figure 1 shows significant improvements to in- and out-of-plane strain following annealing along with the formation of terraced step edges at the film surface. Strain as a function of material composition and thickness is considered, as this may play a major role in future nucleation of AlGaN layers. (1) R. J. in a face-to-face configuration, as illustrated in the schematic at left. Kaplar et al 2017, ECS J. Solid State Sci. Technol. 6 Q3061; (2) D. M. Roberts et al 2022, https://arxiv.org/abs/2208.11769; (3) T. Aizawa et al 2008, J Crys Growth 310, 1 22; (4) R. Liu et al 2002, Appl. Phys. Lett. 81, 3182-3184.

ENGINEERING↗

A Research Testbed for Experimental Connectivity and Automation in Cars

Cyber-physical systems (CPS) are engineered systems in which the computational components and physical components of the system are interdependent and deeply linked. Discovery and development of CPS technologies are changing the way people interact with engineered systems. To demonstrate this point, consider the Global Positioning System (GPS) which revolutionized personal mobility. Its research origins stem from the US Department of Defense in 1973 for military use. By 2000 limitations on civilian consumption of GPS service were lifted. Immediately, personal GPS products were shipped for in-car navigation systems. Soon after, GPS receivers were embedded into mobile phones with the introduction of the Nokia N95 and Apple iPhone for maps and turn-by-turn navigation. With the benefit of hindsight we can see that GPS has become a cornerstone technology of our daily life. Satellite-based navigation has gone from a radical space technology, to a matter of uninteresting availability; it is the typical way that people navigate through roadways now. The combination of the satellite infrastructure, the integration of receiver modules, and powerful maps applications has significantly changed mobility in the 21st century.

42 ENGINEERING↗

Undercooling minimization in ultrasound coupled DTA measurements of molten salts

Molten salts are ionic liquids that are used for the electrolytic pyroprocessing of metals and as heat transfer fluids in very high temperature processes. Recently, halide-based molten salt reactors (MSR) have gained momentum for high density and environmentally responsible electricity generation. The function of these reactors and their fuel cycle depend on a knowledge of the halide salt’s thermodynamic properties [1]. Therefore, high accuracy phase equilibria of MSR relevant base halide and actinide containing salts are needed. Modern thermal analysis of the phase transitions of halide salts is usually done during heating at relatively high scan rates with commercial devices. Normally such measurements are adequate for pure or pseudo-binary salts. However, as the number of components in the mixture increases, accurately resolving the liquidus becomes increasingly difficult. Reversing the scanning mode greatly increases the sensitivity of phase transition measurements but can decrease accuracy due to undercooling [2] — a common occurrence in molten halide systems [3]. This work presents the development of a differential thermal analysis (DTA) cell intended for use in radiological gloveboxes. Non-contact ultrasonic agitation of the halide salt is implemented to limit kinetic limitations on crystallization during cooling to minimize undercooling [4]. Measurements on halide salts are also presented to elucidate the effect of non-contact mixing on undercooling. Reference [1] S. Boyd and C. Taylor, “3 - Chemical fundamentals and applications of molten salts,” in Molten Salt Reactors and Thorium Energy, T. J. Dolan, Ed., Woodhead Publishing, 2017, pp. 29–91. doi: 10.1016/B978-0-08-101126-3.00003-8. [2] K. Nitsch, A. Cihlár, and M. Rodová, “Molten state and supercooling of lead halides,” J. Cryst. Growth, vol. 264, no. 1, pp. 492–498, Mar. 2004, doi: 10.1016/j.jcrysgro.2004.01.011. [3] L. Rycerz, “Practical remarks concerning phase diagrams determination on the basis of differential scanning calorimetry measurements,” J. Therm. Anal. Calorim., vol. 113, no. 1, pp. 231–238, Jul. 2013, doi: 10.1007/s10973-013-3097-0. [4] Md. H. Zahir, S. A. Mohamed, R. Saidur, and F. A. Al-Sulaiman, “Supercooling of phase-change materials and the techniques used to mitigate the phenomenon,” Appl. Energy, vol. 240, pp. 793–817, Apr. 2019, doi: 10.1016/j.apenergy.2019.02.045.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗