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NASA NTRSDate not supplied

Space Launch System Liftoff and Separation Dynamics Analysis Tool Chain

A flexible, hierarchical tool chain that is being applied to NASA’s Space Launch System (SLS) for critical dynamics phenomena is described. This tool chain, called CLVTOPS, is used to investigate lateral liftoff movement of the vehicle as it departs and clears the mobile launch tower and separation of the two solid rocket boosters without collision with the core stage and payload. The toolset’s architecture was configured to take advantage of a modern software engineering approach for maximum flexibility and utilization of open-source simulations and associated tools. As opposed to a “monolithic” approach, scripting languages were used to “bind” together a tool chain to configure and organize input data, execute and produce analysis results, and post-process these results to facilitate a rapid, iterative analysis process to quickly address issues and pursue alternatives with emphasis on analysis automation. Key capabilities in the tool chain include processing and mining of very large data sets, a wide range of graphical depictions, and high-fidelity, physics-based simulations. The paper begins with a problem description and the motivation for liftoff and separation dynamics analysis followed by a historical survey of dynamics analyses for previous NASA human-rated launch vehicles. Details of the tool chain and its components are then introduced and divided, first, into description of the scripting language architecture used to “bind” the simulation tools, programs, and scripts together and, second, the physics models and simulations. Representative analyses and data products for liftoff and booster separation dynamics are shown in order to provide in-depth insight into the tool chain’s capabilities. Supporting activities such as simulation tool chain verification, version archiving and data management, and training are addressed. The paper concludes with case examples on how the tool chain can be tailored to related aerospace dynamics analyses, both large and small. The flexibility and versatility of this tool chain in supporting analyses of such a diverse range of aerospace applications demonstrates the feasibility of applying these patterns and techniques for tool construction to other aerospace simulations.

6DOF↗

NASA NTRSDate not supplied

Space Launch System Liftoff and Separation Dynamics Analysis Tool Chain

A flexible, hierarchical tool chain that is being applied to NASA’s Space Launch System (SLS) for critical dynamics phenomena is described. This tool chain, called CLVTOPS, is used to investigate lateral liftoff movement of the vehicle as it departs and clears the mobile launch tower and separation of the two solid rocket boosters without collision with the core stage and payload. The toolset’s architecture was configured to take advantage of a modern software-engineering approach for maximum flexibility and utilization of open-source simulations and associated tools. As opposed to a “monolithic” approach, scripting languages were used to “bind” together a tool chain to configure and organize input data, execute and produce analysis results, and post-process these results to facilitate a rapid iterative analysis process to quickly address issues and pursue alternatives with emphasis on analysis automation. Key capabilities in the tool chain include processing and mining of very large data sets, a wide range of graphical depictions, and high-fidelity, physics-based simulations. The paper begins with a problem description and the motivation for liftoff and separation dynamics analysis followed by a historical survey of dynamics analyses for previous NASA human-rated launch vehicles. Details of the tool chain and its components are then introduced divided, first, into description of the scripting language architecture used to “bind” the simulation tools, programs, and scripts together and, second, the physics models and simulations. Representative analyses and data products are shown for liftoff and booster separation dynamics that provide in-depth insight to the tool chain’s capabilities. Supporting activities such as simulation tool chain verification, version archiving and data management, and training are addressed. The paper concludes with case examples on how the tool chain can be tailored to related aerospace dynamics analyses, both large and small. These patterns and techniques for SLS dynamics tool construction can be applied for other aerospace simulations.

6DOF↗

NASA NTRS1999

Behavior of Windblown Sand on Mars: Results from Single-Particle Experiments

Experiments are investigating the behavior of individual sand grains in the high-energy martian aeolian regime. Energy partitioning during impact of a saltating grain determines grain longevity, but it also influences the way in which the bed becomes mobilized by reptation. When single grains of sand are fired into loose beds, the bed can absorb up to 90% of the impact energy by momentum transfer to other grains; it has been discovered that the impacting grains cause circular craters even at low impact angles. Hundreds of grains can be splashed by a single high-velocity (100 m/s) impact causing more bed disturbance through reptation than previously thought. The research is supported by NASA's PG&G Program. Because the martian aeolian environment in both high energy and of long duration, the most mobile fractions of windblown sand should have eradicated themselves by attrition, unless sand supply has kept pace with destruction. It is therefore important to understand the rate of grain attrition in order to make sense of the existence of vast dune fields on Mars. Attrition, has been addressed in other studies, but precise data for a single saltating grain striking a loose bed of sand have not been acquired -- the quintessential case to be understood for dunes on Mars. To acquire these data, we are employing a compound crossbow which has the bolt-firing mechanism replaced with a pneumatically-automated sabot system. The sabot can launch individual grains of sand of any size between several millimeters and about 50 microns, at velocities up to 100m/s. This is around the maximum velocity expected for saltating grains on Mars. The sabot sled is equipped with photoelectric sensors for measuring shot velocity. Baffling of the grain's exit orifice has enabled projection of single grains without significant aerodynamic effects from the sabot. Grains are fired into loose beds of sand at about 15 degrees from the horizontal (typical saltation trajectory at impact) while being filmed on high-speed video. High-intensity pulse illumination for the grains is triggered by the solenoid-operated bow trigger. A 45 degree mirror over the impact site provides simultaneous horizontal and vertical images of the impact on each video frame. UV fluorescence is enabling grain and grain-fragment recovery. At 100 m/s, grains of all sizes shatter into many fragments when the sand is replaced with a solid target. Kinetic energy of the grains at this velocity exceeds the critical energy for catastrophic failure of minerals. Although probably exceptional as a grain speed, it suggests that conditions on Mars might elevate materials into an attrition regime not encountered on other planets; individual grains blown across rock pavements on Mars will have short lifespans. When experimental grains impact loose (dune) sand, much, if not most of the kinetic energy is converted into momentum of other grains. Using high-speed filming, the energy involved in splashing grains at the impact site can be derived from the size of the crater, the speed of the splashed grains, and the rebound speed of the impactor. The amount of energy partitioned into material failure (as opposed to momentum) is too small a fraction of the total to be calculated under these circumstances. This does not necessarily mean that little damage occurs to the grains (the full extent of the damage has yet to be determined) because only a small fraction of the impact energy is required for inducing brittle fracture. Damage is orders of magnitude less than during impact against solid surfaces.

Marshall, J. R.↗

DOE OSTI2022

Findings on Subtask 3.1 - Bakken Rich Gas Enhanced Oil Recovery Project

Total in-place oil for the Bakken petroleum system (BPS) (which includes the Bakken and Three Forks Formations) has been estimated to be 600 billion barrels (bbl). However, BPS wells have decline rates as high as 85% over the first 3 years of their lives, and primary recovery factors typically range from 3% to 10% of original oil in place. Given the low initial recovery rates, even small incremental productivity improvements could dramatically increase technically recoverable oil in the BPS. One potential solution is enhanced oil recovery (EOR) using gas injection, such as carbon dioxide (CO2) or hydrocarbon (HC) gases. While commonly used in conventional reservoirs, CO2 EOR in unconventional tight oil reservoirs has been limited to pilot tests. EOR using rich gas (mixture of methane, ethane, and propane) has also been employed in numerous pilots in several unconventional plays and has recently been successfully applied in the Eagle Ford play. If successful, large-scale gas-based EOR in the BPS could dramatically increase oil productivity and recovery factors and extend the life of the play for decades. While CO2 may be a technically suitable working fluid for EOR in the BPS, supplies are limited and costs for using CO2 in EOR pilots are prohibitively high. Meanwhile, produced gas flaring has presented challenges for BPS operators in North Dakota. Analysis conducted by the North Dakota Pipeline Authority indicates that the current gas-gathering infrastructure in North Dakota is insufficient to accommodate all of the associated gas that is produced from the BPS. The geographically isolated location of North Dakota relative to large natural gas markets, combined with suppressed natural gas prices, has made it economically challenging for industry to invest capital in expanding gas-gathering infrastructure in the state. These circumstances led to a research program conducted by the Energy & Environmental Research Center (EERC) in partnership with Liberty Resources Management Company LLC (LR) to examine the potential to use rich gas injection for EOR and mitigate flaring. A rich gas EOR pilot test was designed and executed by LR at its Stomping Horse development area in Williams County, North Dakota. From July 2018 through May 2019, a total of 160 million standard cubic feet (MMscf) of rich produced gas was injected into the BPS using five different wells in a sequential injection strategy. LR’s Leon–Gohrick drill spacing unit (DSU) was used as the test site. Regulatory oversight was provided by the North Dakota Industrial Commission (NDIC). Technical support was provided by the EERC through a series of laboratory, modeling, and field-based activities, and additional post-pilot research activities incorporated learnings from the test, developed new laboratory data, improved fracture modeling methods, and developed machine learning and big data analytics. The results from the Stomping Horse rich gas EOR pilot activities indicate that developing an effective, economical EOR approach for the BPS will require more field tests. Another key lesson learned from the Stomping Horse tests is that detailed pre- and posttest data on reservoir conditions and fluids production are essential. Robust reservoir characterization provides information that is crucial to creating realistic geomodels and conducting valid dynamic simulations of potential EOR scenarios. A detailed understanding of the completions and production history of offset wells is also necessary for valid test result interpretations. This knowledge is essential to designing the operational parameters of injectivity tests and interpreting the results. A conformance control strategy is also essential to success. Laboratory-based examinations of rich gas interactions with reservoir fluids and rocks were conducted, with an emphasis on determining the ability to mobilize oil in the tight reservoir rocks and shales of the BPS. Injection fluid composition was shown to have a positive impact on reducing reservoir oil minimum miscibility pressure (MMP), reducing interfacial tension (IFT), and altering wettability. IFT and contact angle measurements demonstrated that wettability can be altered in the presence of rich gas, suggesting the potential to improve oil recovery. Iterative modeling of surface infrastructure and reservoir performance using data generated by the various project activities was conducted. A geologic model of the Stomping Horse area was built; history-matched oil, gas, and water production was used in simulations of various EOR scenarios. Early programmatic modeling results were used to support LR’s design and operation of the EOR pilot and to provide insight regarding optimization of future commercial-scale BPS EOR design and operations. Post-pilot modeling focused on alternative methods of understanding complex fracture networks and accelerating simulation time. These led to improved simulation run times and provide excellent history-matching results. Several of these iterative models were used as the bases for developing algorithms into machine learning and big data analytics. History matching in reservoir simulation is time-consuming and computer processing-intensive. Machine learning algorithms were created, and an automated history-matching tool was developed. A large set of synthetic reservoir simulations were created to generate well responses (oil, gas, and water production, well bottomhole pressure [BHP], and tracer or propane breakthrough) for a set of EOR operating parameters that included offset well status (open or closed), injectate (rich gas or propane), injection rate, and injection well BHP. A user interface was developed to provide real-time visualization. Machine learning-based models were developed to provide rapid forecasting of well performance given a set of user-defined EOR operating parameters. These predictive models allow the user to modify the offset well status, injection rate, and injection well BHP and rapidly forecast future production performance. The combination of real-time visualization tools with real-time forecasting tools provides a framework for real-time control—operational changes that the EOR site operator can enact (e.g., changing gas injection rates) to affect the observed performance and potentially improve the EOR outcome. There is great reason to be optimistic about the future of EOR in the Bakken. The results of the laboratory studies suggest significant potential for high rates of oil mobilization using produced field gas injection under the right conditions. The results of the lab studies, combined with rigorous statistical analysis of well production data and associated modeling efforts, confirm the notion that fluid mobility within the reservoir is controlled by fractures. As more knowledge is gained about the nature and distribution of fracture networks in the Bakken, the industry will be in a better position to predict and, ultimately, influence fluid mobility. New field tests are necessary to develop a more complete understanding of those conditions. Thoughtful and creatively engineered field tests within a well-characterized geologic setting will yield the fundamental knowledge needed to take Bakken oil production to the next level. This subtask was cofunded through the EERC–U.S. Department of Energy Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by the North Dakota Industrial Commission’s Oil and Gas Research Program and Computer Modelling Group.

04 OIL SHALES AND TAR SANDS↗

NASA NTRS2020

Public Trust and Acceptance for Concepts of Remotely Operated Urban Air Mobility Transportation

There is building interest within industry and government to enable Urban Air Mobility (i.e., air-taxies). One concept envisions remotely piloted aircraft, yet it is unclear how this will impact public trust and acceptance. Method: Two hundred participants read vignettes describing remotely-piloted UAM operations and then responded to a series of questionnaires. The study employed a one-way between-subjects design manipulating five levels of Pilot-in-Command Distance: Onboard Pilot; Remote Control Pilot; Dedicated Remote Operator; Remote Operator; System Manager. Results: The Remote Control Pilot group indicated they would be less likely than the Onboard Pilot Group to use UAM, based on the mediating effect of trust in the automation. The Remote Control Pilot and Remote Operator groups indicated they would be less likely to use UAM than the Onboard Pilot group, based on the mediating effect of trust in the remote pilot/operator. Conclusion: Trust in UAM automation and remote pilots/operators will likely affect public acceptance of UAM.

MTurk↗

DOE OSTI2020

Photonic methods and technologies for monitoring the ocean and atmosphere

In this paper, we review photonic methods and technologies that are promising for monitoring the ocean and atmosphere and have been implemented mainly in recent years at the Institute of Automation and Control Processes, Far Eastern Branch, Russian Academy of Sciences. We present results of lidar studies that have made it possible to understand key features of ocean – atmosphere interaction processes under continent – ocean transition conditions, which determine specific features of the atmospheric aerosol distribution, small gaseous components of the atmosphere and its optical characteristics. We consider methods and tools for combined optical and laser fluorescence monitoring of the ocean surface. Particular attention is paid to results of research on remote methods and tools for real-time laser-induced and laser fluorescence environmental monitoring of the ocean, including specialised fibre-optic probes and mobile underwater robotic systems. We present results of the development and investigation of highly sensitive, noise-proof fibre-optic hydro- and seismic/acoustic sensors for remote monitoring of the ocean and robotic systems for underwater laser protection of marine vessels, hydraulic structures and oceanographic instruments against the negative impact of biofouling. (invited paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRSDate not supplied

Identifying Human Factors Research for Unmanned Aircraft Systems and Advanced Air Mobility

This paper identifies some of the key human factors (HF) challenges when integrating Unmanned Aircraft Systems (UAS) and Advanced Air Mobility (AAM) into the civil airspace. Unique HF considerations—those which are derived from the key differentiating aspects of UAS/AAM compared to conventional aviation—are the primary basis for identifying HF research opportunities. By identifying what makes UAS and AAM fundamentally different from conventional aviation, from a human integration perspective, HF research can be targeted to effectively inform best practices, standards, policy, guidance, and regulations associated with aircraft and air traffic systems and operations. HF research areas are discussed within the following topic areas: Sustained low-altitude operations; loss of natural sensing; novel aircraft; novel operations; link management and lost link; link performance; distributed pilot teams; and increased automation. The identified research descriptions are intended to serve as illustrative examples of what research is fundamental, and why. They are not intended to prescribe, prioritize or exclude research.

AAM↗

NASA NTRSDate not supplied

Identifying Human Factors Research for Unmanned Aircraft Systems (UAS) and Advanced Air Mobility (AAM)

AAM↗

DOE OSTI2023

Theory-Enabled High-Throughput Screening of Ion Dissociation Explains Conductivity Enhancements in Diluted Ionic Liquid Mixtures

The growing demand for room-temperature ionic liquids (RTILs) for energy applications necessitates the development of an efficient screening platform. Here, in this study, we successfully developed a fully automated high-throughput RTIL screening platform specifically designed for assessing ionic conductivity. By utilizing the 96 wells of a microtiter plate as individual electrolysis cells, we measured the ionic conductivity of 22 different RTILs, encompassing various combinations of cations and anions, and benchmarked the values with existing literature. We also employed the screening platform to investigate the conductivities of RTIL mixtures with a nonaqueous solvent, ethylene glycol (EG). Specific combinations of RTILs with EG result in approximately 200% enhancement in the conductivity values compared to the pure RTILs. To understand the underlying mechanisms responsible for this enhancement, we developed a theoretical framework for ionic conductivity that considers factors such as the degree of dissociation, viscous forces, and molal volume of the RTIL-EG mixtures. The optimized electrolyte mixture was then employed in the migration-assisted moisture gradient (MAMG) CO 2 capture process to study the effects of improved ionic conductivity on the energy efficiency of the process. Notably, the enhanced conductivity of the RTIL-EG mixture led to a nearly 50% reduction in energy consumption for capturing CO 2 . These outcomes highlight the effectiveness of our strategy in screening RTILs and improving existing processes. Moreover, this fully automated high-throughput setup, combined with the developed theoretical framework, provides a comprehensive platform for screening and studying RTIL mixtures with different solvents, enabling their application in various fields.

25 ENERGY STORAGE↗

NASA NTRS2003

An Approach to Autonomous Operations for Remote Mobile Robotic Exploration

This viewgraph presentation addresses the use of autonomy for remote mobile robotic exploration. The contents include; 1) Why Use Autonomy?; 2) What Are Some Options? JPL (Reasoning); 3) More Options.. . (Modeling); 4) The CLEaR Control System (Closed Loop Execution and Recovery); 5) Method of Response; 6) Overall Goal; 7) CLEaR in Action; 8) Initial Scenario; 9) Initial Scenario - Planned; 10) Unforeseen Events; and 11) Ongoing Research.

rovers↗

DOE OSTI2024

Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback-Driven STEM

Controlled fabrication of nanopores in 2D materials offer the means to create robust membranes needed for ion transport and nanofiltration. Techniques for creating nanopores have relied upon either plasma etching or direct irradiation; however, aberration-corrected scanning transmission electron microscopy (STEM) offers the advantage of combining a sub-Å sized electron beam for atomic manipulation along with atomic resolution imaging. Here, for this work, a method for automated nanopore fabrication is utilized with real-time atomic visualization to enhance the mechanistic understanding of beam-induced transformations. Additionally, an electron beam simulation technique, Electron-Beam Simulator (E-BeamSim) is developed to observe the atomic movements and interactions resulting from electron beam irradiation. Using the MXene Ti 3 C 2 T x , the influence of temperature on nanopore fabrication is explored by tracking atomic transformations and find that at room temperature the electron beam irradiation induces random displacement and results in titanium pileups at the nanopore edge, which is confirmed by E-BeamSim. At elevated temperatures, after removal of the surface functional groups and with the increased mobility of atoms results in atomic transformations that lead to the selective removal of atoms layer by layer. This work can lead to the development of defect engineering techniques within functionalized MXene layers and other 2D materials.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Cryogenic probe station for use in automated microwave and noise figure measurements

A cryogenic measurement system capable of performing on-wafer RF testing of semiconductor devices and circuits has been developed. This 'CryoProbe Station' can wafer-probe devices and circuits at cryogenic temperatures, thus eliminating the need for wire bonds. The system operates under vacuum created by a sorption pump. It uses an open cycle cooling system that can be cooled with either liquid nitrogen or liquid helium. Presently, it can reach temperatures, as low as 80 K and 37 K for each of the coolants, respectively. The temperature can be raised using a heater and it is stabilized to within 0.2 K by use of a temperature controller. The CryoProbe Station features a 1 by 2 inch stage that can hold large circuits and calibration standards simultaneously. The system is used with a Hewlett Packard 8510C Automatic Network Analyzer (ANA) to obtain S-parameter data over the frequency range 0.045-26.5 GHz. S-parameter data on HEMT (high electron mobility transistors) devices has been obtained with this station. With the use of DEEMBED software from NIST, detailed transmission line studies have been performed. Although the CryoProbe Station is designed for frequencies up to 26.5 GHz, useful transmission line data has been obtained for frequencies as high as 40 GHz. The CryoProbe station has also been used with the ATN noise figure measurement system to perform automatic, temperature dependent noise figure measurements.

Taub, Susan R.↗

NASA NTRS2019

In-Time System-Wide Safety Assurance (ISSA) Concept of Operations

Emerging operations involving Urban Air Mobility (UAM) poses a challenge to safety assurance and accessibility to the NAS. In particular, the public has a low tolerance for risk in aviation and the current NAS tends to be labor-intensive with limited ability to scale up for UAM. In response to this landscape, NASA is collaborating with industry to define an In-time Aviation Safety Management System (IASMS) Concept of Operations (ConOps) for a scalable UAM along with a service-oriented architecture. This architecture would better focus safety investments for technological solutions that overcome safety related barriers for emerging operations. By working with industry, consensus can be reached on desirable system traits that are based on integration of data and leverage increasingly autonomous and automated systems. These complex systems can identify anomalies, precursors, and trends that together enable more proactive management of operational risks.

Ellis, Kyle↗

NASA NTRS2018

Nasa's Launch Communications Ground Segment for the 21st Century Florida Spaceport

The National Aeronautics and Space Administration (NASA) Near Earth Network (NEN) Project is implementing a new launch communications ground segment to provide services for the next generation of human and robotic space exploration systems. It will deliver unique and advanced capabilities to accelerate the transformation of Kennedy Space Center into a multi-user spaceport in cooperation with the United States Air Force (USAF). The project has leveraged commercial technologies and remote operations concepts matured in NASAs orbiting satellite ground systems to achieve dramatic lifecycle cost efficiencies as compared to the space shuttle-era ground segment. The purpose of this paper is to discuss the development history, capabilities and anticipated use cases of the NEN Launch Communications Segment (NEN LCS).The NASA Kennedy Space Center is co-located with the USAF Eastern Launch Range at Cape Canaveral, Florida. The USAF operates two launch communications ground stations, but they are not designed to transmit voice, commands or other data to the launch vehicle or astronauts. The bi-directional uplink-downlink communications responsibility for human missions has historically resided with the Goddard Space Flight Center in Greenbelt, Maryland. Several market analyses and feasibility studies investigating concepts to provide NASAs next generation launch communications services were performed during the Constellation Program prior to its cancellation in 2009, and as part of the Kennedy Space Centers follow-on efforts to transform itself into a 21st century multi-user spaceport. In 2012, the Kennedy Space Center and the USAF 45th Space Wing jointly led a study to analyze the market needs of current and future launch systems and assess the operational deficiencies of the Eastern Range infrastructure. The study team issued several recommendations, two of which ultimately became driving operational capability requirements for the NEN LCS: increased telemetry data rates of at least 20 Mbps, and S-band uplink capability. Additional capabilities identified in the requirements development process include spread spectrum modulation support, LDPC 12 and 78 error correction codes, support for IRIG-106 and CCSDS data formats, automated best source selection, and Space Link Extension (SLE) services for data distribution. The NEN LCS is comprised of two permanent ground stations, the new Kennedy Uplink Station (KUS) and refurbished Ponce de Leon (PDL) station. Both stations are remotely operated from the Global Monitor and Control Center at Wallops Flight Facility. This core architecture is extensible through host-tenant arrangements with the U.S. Air Force and deployable assets, enabling agile, tailored and robust solutions to meet the needs of civil, commercial or military customers. The NEN LCS has three use cases:1.To provide agile, tailored and robust launch communications solutions to Florida spaceport customers2.To provide orbital communications services to near-earth customers 3.To provide an experimental proving ground for Space Mobile Network concepts and technologies The NEN LCS driving mission is to support the bi-directional link with the Orion crew capsule and two 20 Mbps telemetry links from the Space Launch System core stage on Exploration Mission-1, the first integrated flight of NASAs flagship human exploration systems.

Roberts, Christopher J.↗

DOE OSTI2023

Combined Experimental and Computational Efforts to Establish Ion Mobility, Solubility and Stability of Functional Liquids for Electrochemical Energy Storage

This work provides a computation-driven investigation of the stability of organic electrolytes for lithium-air batteries. Electrolyte instability is currently a key challenge that limits practical use of aprotic Li-air batteries, and the chemical processes that cause this instability are often kinetically-driven. Computational screening for kinetic stability involves the determination of reaction barriers for the numerous potential reaction mechanisms, barriers that are challenging to calculate due to the difficulty of locating transition state structures. Here we screen a broad set of substituted electrolytes for susceptibility to nucleophilic attack by superoxide. We find that carbonates are not typically expected to be stable and that sulfones are generally stable, validating literature trends. We study the effects of chemical functionalization with electron-donating and withdrawing groups and their interplay with steric factors, identifying functional groups and other chemical modifications that increase stability in these groups. User-input driven transition state identification is used for these initial calculations, and an automated computational pipeline is subsequently presented and validated as a means to perform further high-throughput searches across mechanisms and chemistries. The pipeline integrates cheminformatics-based reaction encoding, relaxed potential energy scans, and nudged elastic band calculations for an end-to-end approach to barrier calculations. We review this automated search approach and its current limitations, and discuss challenges and further work.

25 ENERGY STORAGE↗

DOE OSTI2023

Agilent AgileBioFoundry CRADA (Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOF-MS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Therefore, our accomplishment in this CRADA improved the efficiency and accuracy of strain testing by developing and implementing fast analytical methods, robust processing tools, and software for predicting the best methods for UHPLC analysis.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2020

In-time System-wide Safety Assurance (ISSA) Concept of Operations and Design Considerations for Urban Air Mobility (UAM)

Emerging operations involving Advanced Air Mobility (AAM), such as Urban Air Mobility (UAM), pose a challenge to safety assurance and to accessibility within the National Airspace System (NAS).In particular, the public has a low tolerance for risk in aviation and the current NAS tends to be labor-intensive with limited ability to scale up for UAM. In response to this landscape, NASA is collaborating with industry to define a Concept of Operations (ConOps) for In-time System-Wide Safety Assurance (ISSA) for scalable UAM involving a service-oriented architecture. This architecture focuses safety investments for technological solutions that can overcome safety related barriers for emerging operations. By working with industry, consensus can be reached on desirable system traits that are based on integration and fusion of data and leverage increasingly autonomous and automated systems. These complex systems can identify anomalies, precursors, and trends that together enable more proactive management of operational risks. AAM and UAM elevate the need for risk management in relation to increasing density and heterogeneity of vehicles and operations. Whereas safety in today’s NAS is built on a history of programs and technologies that react to incidents and accidents, AAM presents an opportunity to leverage that experience and its implications and proactively integrate safety into the earliest designs of vehicles and systems. In a perfect world AAM and UAM would not be inherently dangerous but until then ensuring the highest quality of safety requirements is the bridge to mitigating risks.

In-Time System-Wide Safety Assurance↗

DOE OSTI2024

Enabling the Electrification of Offshore Activities – Co-Demonstration of Next-Generation Autonomous Offshore Power System and Resident, Uncrewed Mobile and Static Assets at PacWave Wave Energy Test Site

Oceans cover two-thirds of the earth's surface and form the world's biggest and best – yet largely untapped – battery. Ocean waves have more energy density than other renewables, including wind, solar, and biomass, and have the potential to supply 4x the world's annual energy consumption (Masterson, 2022; Zic, 2020). In addition to the impact wave energy can have on decarbonizing and diversifying the electric grid, it offers a significant value proposition in the emerging blue economy sector (LiVecchi et al, 2019). The blue economy consists of industries operating offshore, including shipping, oil and gas, defense and security, aquaculture, and research. These industries require bringing people and energy on site to perform daily work, but current energy costs in the blue economy are extremely high. Here, the prevailing processes are complex, including shore dependencies and fuel transportation logistics. Few alternatives for reliable power generation exist, with the most prominent being high cost and high carbon emissions diesel generation. Because of this lack of affordable, reliable power, the trends of electrification, digitization, and automation that have led to substantial innovation and improvements in the terrestrial economy over the last two decades are slow to come to the blue economy.

16 TIDAL AND WAVE POWER↗