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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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313 records · Page 18

Striving to translate shale physics across ten orders of magnitude: What have we learned?

Shales will play an important role in the successful transition of energy from fossil-based resources to renewables in the coming decades. Aside from being a significant source of low-carbon intensity fuels, like natural gas, they also serve as geologic seals of subsurface formations that may be used to isolate nuclear waste, sequester CO 2 , or store intermittent energy (e.g., solar hydrogen). Despite their importance, shales pose significant engineering and environmental challenges due to their nanoporous structure and extreme heterogeneity that spans at least ~10 orders of magnitude in spatial scale. Two challenges inhibit a system-level understanding: (1) the physics of fluid flow and phase behavior in shales are poorly understood due to the dominant molecular interactions between minerals and fluids under confinement, and (2) the apparent lack of scale separation that prevents a reliable (closed) description of the physics at any single scale of observation. In this review, we focus on the latter issue and discuss scale translation, which in its broadest sense is transforming data or simulations from one spatiotemporal scale to another. While effective scale translation is not exclusive to shales, but all geologic porous media, the need for it is especially acute in shales given their high degree of heterogeneity. Classical theories like homogenization, while indispensable, fail when scales are not separated. Other methods, like numerical upscaling, scale-translate in only one direction: small to large, but not the reverse, called downscaling. However, the confluence of advances in three areas are bringing challenging problems such as shales within reach: increased computational power and scalable algorithms; high-resolution imaging and multi-modal data acquisition; and machine learning to process massive amounts of data. While these advances equip geoscientists with a wide array of experimental and computational tools, no individual tool can probe the entire gamut of heterogeneity in shales. Their effective use, therefore, requires an ability to bridge between various data types obtained at different scales. The aim of this review is to present a coherent account of computational and experimental methods that may be used to achieve just that, i.e., to perform scale translation. We provide a broader definition of scale translation, one that transcends classical homogenization and upscaling methods, but is consistent with them and accommodates notions like downscaling and data translation. After a brief introduction to homogenization, we review hybrid methods, numerical upscaling and its recent extensions, multiscale computing, high-resolution imaging, and machine learning. We place particular emphasis on multiscale computing and propose an algorithmic framework to bridge between the pore (micro) and Darcy (macro) scales. Throughout the paper, we draw comparisons between the various methods and highlight their (often hidden) similarities, differences, benefits, and pitfalls. We finally conclude with two case studies on shales that exemplify some of the methods presented.

58 GEOSCIENCES↗

Deep learning with plasma plume image sequences for anomaly detection and prediction of growth kinetics during pulsed laser deposition

Abstract Materials synthesis platforms that are designed for autonomous experimentation are capable of collecting multimodal diagnostic data that can be utilized for feedback to optimize material properties. Pulsed laser deposition (PLD) is emerging as a viable autonomous synthesis tool, and so the need arises to develop machine learning (ML) techniques that are capable of extracting information from in situ diagnostics. Here, we demonstrate that intensified-CCD image sequences of the plasma plume generated during PLD can be used for anomaly detection and the prediction of thin film growth kinetics. We develop multi-output (2 + 1)D convolutional neural network regression models that extract deep features from plume dynamics that not only correlate with the measured chamber pressure and incident laser energy, but more importantly, predict parameters of an auto-catalytic film growth model derived from in situ laser reflectivity experiments. Our results demonstrate how ML with in situ plume diagnostics data in PLD can be utilized to maintain deposition conditions in an optimal regime. Further, the predictive capabilities of plume dynamics on the kinetics of film growth or other film properties prior to deposition provides a means for rapid pre-screening of growth conditions for the non-expert, which promises to accelerate materials optimization with PLD.

36 MATERIALS SCIENCE↗

Evaluating Deception Detection Model Robustness To Linguistic Variation

With the increasing use of automated, machine learning-driven tools and the downstream impact that algorithmic judgements can have, it is critical to develop models that are robust to evolving or manipulated inputs. Evaluating the reliability of multimodal models across linguistic variations to understand model susceptibility to intentional linguistic adversarial attacks as well as natural linguistic variations is essential in this pursuit. We present extensive analysis of model robustness and susceptibility to linguistic variations in the setting of deceptive news detection, a difficult classification task that is an increasingly important problem to solve with the impact of misinformation spread online. We evaluate the effectiveness of incorporating adversarial defense strategies and measure model susceptibility to state-of-the-art adversarial attacks using two types of linguistic attacks — character and word perturbations. We consider two multiclass prediction tasks — a 3-way classification of tweets as trustworthy, propaganda, or disinformation; and a 4-way classification as clickbait, hoax, satire, or conspiracy — and compare the performance of three embeddings that have been state-of-the-art for several NLP tasks — GloVe, ELMo, and BERT — to highlight consistent trends in susceptibility, high confidence misclassifications, and high impact failures. We find that character or mixed ensemble models are the most effective defense mechanisms and that character perturbations are a more effective attack than word perturbations for deception classification.

adversarial evaluation↗

Integrating the Mobility Energy Productivity Metric Into the Delaware Department of Transportation Statewide Model

The Mobility Energy Productivity (MEP) metric quantifies the quality of mobility at a given location and evaluates how changes in the transportation system impact mobility over time, such as through infrastructure investments. This study demonstrates the integration of the MEP metric into the Delaware Department of Transportation's (DelDOT's) transportation planning process by utilizing data from its statewide travel demand model. Specifically, the study assesses MEP for the 2020 baseline conditions and three alternative scenarios - 2030, Churchman, and Old Orchard - across multiple travel modes, including driving, walking, biking, and transit. The findings highlight that mobility and accessibility in Delaware are primarily supported by the driving mode, while transit services remain relatively limited, often ranking below biking and walking in many areas. In the 2030 scenario, where network operations and opportunities expand as projected, overall statewide accessibility declines, although Kent and Sussex counties experience improvements. The results from the Churchman and Old Orchard scenarios indicate that local network enhancements can positively influence accessibility, though primarily at a localized level, demonstrating MEP's capability to capture regional accessibility changes. Further, the National Renewable Energy Laboratory team successfully transferred MEP operational knowledge to the DelDOT team through dockerization, enabling DelDOT to independently run MEP for various scenarios of interest. Integrating MEP into DelDOT's planning framework supports future project evaluations and decision-making by incorporating access to opportunities as a key dimension of transportation system assessment.

33 ADVANCED PROPULSION SYSTEMS↗

Navigating the Noise: Bringing Clarity to ML Parameterization Design With O $\boldsymbol{\mathcal{O}}$(100) Ensembles

Abstract Machine‐learning (ML) parameterizations of subgrid processes (here of turbulence, convection, and radiation) may one day replace conventional parameterizations by emulating high‐resolution physics without the cost of explicit simulation. However, uncertainty about the relationship between offline and online performance (i.e., when integrated with a large‐scale general circulation model) hinders their development. Much of this uncertainty stems from limited sampling of the noisy, emergent effects of upstream ML design decisions on downstream online hybrid simulation. Our work rectifies the sampling issue via the construction of a semi‐automated, end‐to‐end pipeline for size ensembles of hybrid simulations, revealing important nuances in how systematic reductions in offline error manifest in changes to online error and online stability. For example, removing dropout and switching from a Mean Squared Error to a Mean Absolute Error loss both reduce offline error, but they have opposite effects on online error and online stability. Other design decisions, like incorporating memory, converting moisture input from specific humidity to relative humidity, using batch normalization, and training on multiple climates do not come with any such compromises. Finally, we show that ensemble sizes of may be necessary to reliably detect causally relevant differences online. By enabling rapid online experimentation at scale, we can empirically settle debates regarding subgrid ML parameterization design that would have otherwise remained unresolved in the noise.

Lin, Jerry [Department of Earth System Sciences Un↗

National Campaign (NC)-1 Strategic Conflict Management Simulation (X4) Community Based Rules

Projected demand for transportation services in the urban environment has led to the development of several Concepts of Operation for Urban Air Mobility, or UAM. UAM is a concept for the transportation of people and goods in the metropolitan environment using small, efficient aircraft over short distances as part of an expanding multimodal transportation network. UAM will leverage emerging technologies including electric Vertical Takeoff and Landing (eVTOL) aircraft, increasing levels of automation and a new operational paradigm in dense airspace where a set of agreed-upon rules govern the procedures and interactions defining a cooperative environment in which operators are entrusted with a range of functions typically conducted by Air Traffic Control (ATC). These rules, proposed in the FAA NextGen Office’s UAM Concept of Operations [1], were originally termed Community Based Rules or Community Business Rules (CBRs), and will in the future termed Cooperative Operating Practices (COPs); this document uses the original term, CBR. CBRs are a set of rules, developed by the UAM community and (where necessary) approved by the FAA that govern the interactions between UAM entities and limit the need for ATC services including, but not limited to, separation control by ATC, addressing a fundamental challenge to scaling UAM operations. UAM community development of CBRs is anticipated to accelerate the adoption of new practices while retaining the regulatory authority of the FAA within required domains (e.g., NAS safety, security and equal access). However, there currently exists no agreed industry forum or defined procedures for CBR development. Investigation of best practices for the development of UAM CBRs was identified by NASA and the FAA NextGen Office as a research need. In collaboration with seven industry partners, NASA participated in a series of simulations that investigated elements of the envisioned UAM operations, with a primary focus on Strategic Conflict Management (SCM). The development and conduct of cooperative UAM simulations with seven industry partners provided a unique opportunity to investigate CBR development practices. Development of CBRs for the UAM SCM simulations was conducted in parallel with simulation capability development and was closely related to requirements definition for the simulations. As such, the CBR development effort presented herein had two objectives: explore CBR development practices in collaboration with the industry partners and develop an initial set of UAM CBRs to support simulation requirements definition and development. Consensus was achieved among NASA and the industry partners on 24 CBRs that were developed to support the cooperative simulation operations across five topic areas: General (related to test requirements), Operational Intent, Conformance Monitoring, Demand Capacity Balancing, and Airspace Constraint Management. Additional topic areas and CBRs were discussed but were deemed outside the scope of the simulation; these are included in the appendices. A collaborative, iterative process was employed for developing the CBRs engaging both NASA and Industry; because CBR development is envisioned to be community-driven, opportunities were sought that provided industry partners leadership roles in developing CBRs. The following key observations and recommendations may aid the UAM industry in future CBR development efforts: - The lack of a defined process proved challenging initially. Stakeholder engagement in the early stages of CBR development was intermittent and may have been due to the lack of a clear definition of roles and responsibilities of those involved in the effort. - Industry leadership of CBR topic areas proved successful. Discussions in these topic areas were engaging, with alternate viewpoints freely discussed and detailed CBRs resulting. This points to the importance of identifying the best-suited leadership in technical areas for CBR development. - Discussions within a CBR topic area were typically dominated by only a few participants. Whereas all industry partners contributed to CBR development, within each topic area, technical leadership was evident even when not formally established. This observation may indicate that smaller, focused groups may be more effective in initial CBR development than an open forum or large standards development effort (although both maybe required prior to FAA review and approval for some CBRs). - Identifying suitable forums for initial UAM CBR development and identifying the most effective industry participants and leadership will be crucial for successful CBR development. Although the operational need for UAM CBRs may not be immediate, establishing the forums and leadership to define the processes for CBR development is a prudent early step to UAM realization.

Community Based Rules↗

Distributed Sapphire Fiber Bragg Gratings Based Thermal Profiling of Submerged Entry Nozzles

This research focuses on the application of sapphire fiber Bragg gratings (FBGs) for instrumentation in submerged entry nozzles (SEN) within the steelmaking industry. The SEN is pivotal for transferring molten steel from a tundish to a mold, while preventing the infiltration of oxygen and nitrogen from the surrounding environment. Maintaining optimal flow conditions in the mold is crucial for ensuring casting process stability and maintaining high quality steel. Sapphire FBG sensors have been instrumented in SENs to enable distributed thermal mapping for monitoring the health of the SEN. The optical sensor comprises three cascaded sapphire FBGs inscribed using femtosecond laser technology into a one-meter-long sapphire crystalline fiber. The sensor underwent characterization in a laboratory setting up to 1600°C and was tested for long-term stability over 40 hours under extreme environmental conditions. The coupling between silica and sapphire fibers was investigated and implemented during sensor packaging. Here, the sensor successfully captured the pre-heat sequence of the SEN in real-world steelmaking operations. Compared to conventional thermocouples, sapphire FBG sensors demonstrated exceptional efficiency and precision. They offer potential benefits such as increased productivity, reduced energy consumption, and minimized carbon footprint in the steel industry.

Sapphire Fiber Bragg Grating↗