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DOE OSTI2024

Emergence of catalytic function in prebiotic information-coding polymers

Life as we know it relies on the interplay between catalytic activity and information processing carried out by biological polymers. Here we present a plausible pathway by which a pool of prebiotic information-coding oligomers could acquire an early catalytic function, namely sequence-specific cleavage activity. Starting with a system capable of non-enzymatic templated replication, we demonstrate that even non-catalyzed spontaneous cleavage would promote proliferation by generating short fragments that act as primers. Furthermore, we show that catalytic cleavage function can naturally emerge and proliferate in this system. Specifically, a cooperative catalytic network with four subpopulations of oligomers is selected by the evolution in competition with chains lacking catalytic activity. The cooperative system emerges through the functional differentiation of oligomers into catalysts and their substrates. The model is inspired by the structure of the hammerhead RNA enzyme as well as other DNA- and RNA-based enzymes with cleavage activity that readily emerge through natural or artificial selection. We identify the conditions necessary for the emergence of the cooperative catalytic network. In particular, we show that it requires the catalytic rate enhancement over the spontaneous cleavage rate to be at least 10 2 –10 3 , a factor consistent with the existing experiments. The evolutionary pressure leads to a further increase in catalytic efficiency. The presented mechanism provides an escape route from a relatively simple pairwise replication of oligomers toward a more complex behavior involving catalytic function. This provides a bridge between the information-first origin of life scenarios and the paradigm of autocatalytic sets and hypercycles, albeit based on cleavage rather than synthesis of reactants.

Tkachenko, Alexei V. (ORCID:000000031291243X)↗

NASA NTRS2017

Prediction of Cognitive States During Flight Simulation Using Multimodal Psychophysiological Sensing

The Commercial Aviation Safety Team found the majority of recent international commercial aviation accidents attributable to loss of control inflight involved flight crew loss of airplane state awareness (ASA), and distraction was involved in all of them. Research on attention-related human performance limiting states (AHPLS) such as channelized attention, diverted attention, startle/surprise, and confirmation bias, has been recommended in a Safety Enhancement (SE) entitled "Training for Attention Management." To accomplish the detection of such cognitive and psychophysiological states, a broad suite of sensors was implemented to simultaneously measure their physiological markers during a high fidelity flight simulation human subject study. Twenty-four pilot participants were asked to wear the sensors while they performed benchmark tasks and motion-based flight scenarios designed to induce AHPLS. Pattern classification was employed to predict the occurrence of AHPLS during flight simulation also designed to induce those states. Classifier training data were collected during performance of the benchmark tasks. Multimodal classification was performed, using pre-processed electroencephalography, galvanic skin response, electrocardiogram, and respiration signals as input features. A combination of one, some or all modalities were used. Extreme gradient boosting, random forest and two support vector machine classifiers were implemented. The best accuracy for each modality-classifier combination is reported. Results using a select set of features and using the full set of available features are presented. Further, results are presented for training one classifier with the combined features and for training multiple classifiers with features from each modality separately. Using the select set of features and combined training, multistate prediction accuracy averaged 0.64 +/- 0.14 across thirteen participants and was significantly higher than that for the separate training case. These results support the goal of demonstrating simultaneous real-time classification of multiple states using multiple sensing modalities in high fidelity flight simulators. This detection is intended to support and inform training methods under development to mitigate the loss of ASA and thus reduce accidents and incidents.

Harrivel, Angela R.↗

NASA NTRS2014

Application of Fault Management Theory to the Quantitative Selection of a Launch Vehicle Abort Trigger Suite

The theory of System Health Management (SHM) and of its operational subset Fault Management (FM) states that FM is implemented as a "meta" control loop, known as an FM Control Loop (FMCL). The FMCL detects that all or part of a system is now failed, or in the future will fail (that is, cannot be controlled within acceptable limits to achieve its objectives), and takes a control action (a response) to return the system to a controllable state. In terms of control theory, the effectiveness of each FMCL is estimated based on its ability to correctly estimate the system state, and on the speed of its response to the current or impending failure effects. This paper describes how this theory has been successfully applied on the National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program to quantitatively estimate the effectiveness of proposed abort triggers so as to select the most effective suite to protect the astronauts from catastrophic failure of the SLS. The premise behind this process is to be able to quantitatively provide the value versus risk trade‐off for any given abort trigger, allowing decision makers to make more informed decisions. All current and planned crewed launch vehicles have some form of vehicle health management system integrated with an emergency launch abort system to ensure crew safety. While the design can vary, the underlying principle is the same: detect imminent catastrophic vehicle failure, initiate launch abort, and extract the crew to safety. Abort triggers are the detection mechanisms that identify that a catastrophic launch vehicle failure is occurring or is imminent and cause the initiation of a notification to the crew vehicle that the escape system must be activated. While ensuring that the abort triggers provide this function, designers must also ensure that the abort triggers do not signal that a catastrophic failure is imminent when in fact the launch vehicle can successfully achieve orbit. That is, the abort triggers must have low false negative rates to be sure that real crew‐threatening failures are detected, and also low false positive rates to ensure that the crew does not abort from non‐crew‐threatening launch vehicle behaviors. The analysis process described in this paper is a compilation of over six years of lessons learned and refinements from experiences developing abort triggers for NASA's Constellation Program (Ares I Project) and the SLS Program, as well as the simultaneous development of SHM/FM theory. The paper will describe the abort analysis concepts and process, developed in conjunction with SLS Safety and Mission Assurance (S&MA) to define a common set of mission phase, failure scenario, and Loss of Mission Environment (LOME) combinations upon which the SLS Loss of Mission (LOM) Probabilistic Risk Assessment (PRA) models are built. This abort analysis also requires strong coordination with the Multi‐Purpose Crew Vehicle (MPCV) and SLS Structures and Environments (STE) to formulate a series of abortability tables that encapsulate explosion dynamics over the ascent mission phase. The design and assessment of abort conditions and triggers to estimate their Loss of Crew (LOC) Benefits also requires in‐depth integration with other groups, including Avionics, Guidance, Navigation and Control(GN&C), the Crew Office, Mission Operations, and Ground Systems. The outputs of this analysis are a critical input to SLS S&MA's LOC PRA models. The process described here may well be the first full quantitative application of SHM/FM theory to the selection of a sensor suite for any aerospace system.

Lo, Yunnhon↗

DOE OSTI2024

Inverse design of pore wall chemistry and topology through active learning of surface group interactions

Design of next-generation membranes requires a nanoscopic understanding of the effect of biologically inspired heterogeneous surface chemistries and topologies (roughness) on local water and solute behavior. In particular, the rejection of small, neutral solutes, such as boric acid, poses a heretofore unsolved challenge. In prior work, a computational inverse design technique using an evolutionary optimization successfully uncovered new surface design strategies for optimized transport of water over solutes in smooth, model pores consisting of two surface chemistries. However, extending such an approach to more complex (and realistic) scenarios involving many surface chemistries as well as surface roughness is challenging due to the expanded design space. In this work, we develop a new approach that uses active learning to optimize in a reduced feature space of surface group interactions, finding parameters that lead to their assembly into ordered, optimal patterns. This approach rapidly identifies novel surface functionalizations that maximize the difference in water and boric acid transport through the nanopore. Moreover, we find that the roughness of the nanopore wall, independent of its chemistry, can be leveraged to enhance transport selectivity: oscillations in the pore wall diameter optimally inhibit boric acid transport by creating energetic wells from which the solute must escape to transport down the pore. Furthermore, this proof-of-concept demonstrates the potential for active learning strategies, in concert with molecular simulations, to rapidly navigate complex design spaces of aqueous interfaces and is promising as a tool for engineering water-mediated surface interactions for a broad range of applications.

36 MATERIALS SCIENCE↗

NASA NTRS1992

A vision architecture for the extravehicular activity retriever

The Extravehicular Activity Retriever (EVAR) is a robotic device currently being developed by the Automation and Robotics Division at the NASA Johnson Space Center to support activities in the neighborhood of the Space Shuttle or Space Station Freedom. As the name implies, the Retriever's primary function will be to provide the capability to retrieve tools, equipment or other objects which have become detached from the spacecraft, but it will also be able to rescue a crew member who may have become inadvertently de-tethered. Later goals will include cooperative operations between a crew member and the Retriever such as fetching a tool that is required for servicing or maintenance operations. This report documents a preliminary design for a Vision System Planner (VSP) for the EVAR that is capable of achieving visual objectives provided to it by a high level task planner. Typical commands which the task planner might issue to the VSP relate to object recognition, object location determination, and obstacle detection. Upon receiving a command from the task planner, the VSP then plans a sequence of actions to achieve the specified objective using a model-based reasoning approach. This sequence may involve choosing an appropriate sensor, selecting an algorithm to process the data, reorienting the sensor, adjusting the effective resolution of the image using lens zooming capability, and/or requesting the task planner to reposition the EVAR to obtain a different view of the object. An initial version of the Vision System Planner which realizes the above capabilities using simulated images has been implemented and tested. The remaining sections describe the architecture and capabilities of the VSP and its relationship to the high level task planner. In addition, typical plans that are generated to achieve visual goals for various scenarios will be discussed. Specific topics to be addressed will include object search strategies, repositioning of the EVAR to improve the quality of information obtained from the sensors, complementary usage of the sensors and redundant capabilities.

Magee, Michael↗

NASA NTRS1993

A vision system planner for increasing the autonomy of the Extravehicular Activity Helper/Retriever

The Extravehicular Activity Retriever (EVAR) is a robotic device currently being developed by the Automation and Robotics Division at the NASA Johnson Space Center to support activities in the neighborhood of the Space Shuttle or Space Station Freedom. As the name implies, the Retriever's primary function will be to provide the capability to retrieve tools and equipment or other objects which have become detached from the spacecraft, but it will also be able to rescue a crew member who may have become inadvertently de-tethered. Later goals will include cooperative operations between a crew member and the Retriever such as fetching a tool that is required for servicing or maintenance operations. This paper documents a preliminary design for a Vision System Planner (VSP) for the EVAR that is capable of achieving visual objectives provided to it by a high level task planner. Typical commands which the task planner might issue to the VSP relate to object recognition, object location determination, and obstacle detection. Upon receiving a command from the task planner, the VSP then plans a sequence of actions to achieve the specified objective using a model-based reasoning approach. This sequence may involve choosing an appropriate sensor, selecting an algorithm to process the data, reorienting the sensor, adjusting the effective resolution of the image using lens zooming capability, and/or requesting the task planner to reposition the EVAR to obtain a different view of the object. An initial version of the Vision System Planner which realizes the above capabilities using simulated images has been implemented and tested. The remaining sections describe the architecture and capabilities of the VSP and its relationship to the high level task planner. In addition, typical plans that are generated to achieve visual goals for various scenarios are discussed. Specific topics to be addressed will include object search strategies, repositioning of the EVAR to improve the quality of information obtained from the sensors, and complementary usage of the sensors and redundant capabilities.

Magee, Michael↗

NASA NTRS1992

First lunar outpost

Design and research efforts at the University of Puerto Rico have focused on the evaluation and refinement of the Habitability Criteria for a prolonged human presence in space during the last four years. Living quarters for a Mars mission and a third generation lunar base concept were proposed. This academic year, 1991-92, work on further refinement of the habitability criteria and design of partial gravity furniture was carried on. During the first semester, design alternatives for furniture necessary in a habitat design optimized for lunar and Martian environments were developed. Designs are based on recent research data from lunar and Mars gravity simulations, and current NASA standards. Artifacts will be submitted to NASA architects to be tested in KC-135 flights. Test findings will be submitted for incorporation in future updates to NASA habitat design standards. Second semester work was aimed at integrating these findings into the First Lunar Outpost (FLO), a mission scenario currently being considered by NASA. The mission consists of a manned return to the moon by crews of four astronauts for periods of 45 days. The major hardware components of the mission are as follows: (1) a Crew Module for the delivery of the crew and their supplies, and (2) the Habitat Module, which will arrive on the Moon unmanned. Our design efforts concentrated on this Habitat Module and on application of habitability criteria. Different geometries for the pressure vessel and their impact on the interior architecture were studied. Upon the selection of a geometry, a more detailed analysis of the interior design was performed, taking into consideration the reduced gravity, and the protection against radiation, micrometeorites, and the extreme temperature variation. A proposal for a FLO was submitted by the students, consisting essentially of a 24-feet (7.3 m.) by 35-feet (10.67 m) high vertical cylinder with work areas, crew quarters, galley, wardroom, leisure facilities, health maintenance, waste management, EVA operations facilities, and safe havens.

Andino, Aureo F.↗

NASA NTRS1995

Applied Virtual Reality Research and Applications at NASA/Marshall Space Flight Center

A Virtual Reality (VR) applications program has been under development at NASA/Marshall Space Flight Center (MSFC) since 1989. The objectives of the MSFC VR Applications Program are to develop, assess, validate, and utilize VR in hardware development, operations development and support, mission operations training and science training. Before this technology can be utilized with confidence in these applications, it must be validated for each particular class of application. That is, the precision and reliability with which it maps onto real settings and scenarios, representative of a class, must be calculated and assessed. The approach of the MSFC VR Applications Program is to develop and validate appropriate virtual environments and associated object kinematic and behavior attributes for specific classes of applications. These application-specific environments and associated simulations will be validated, where possible, through empirical comparisons with existing, accepted tools and methodologies. These validated VR analytical tools will then be available for use in the design and development of space systems and operations and in training and mission support systems. Specific validation studies for selected classes of applications have been completed or are currently underway. These include macro-ergonomic "control-room class" design analysis, Spacelab stowage reconfiguration training, a full-body micro-gravity functional reach simulator, and a gross anatomy teaching simulator. This paper describes the MSFC VR Applications Program and the validation studies.

Hale, Joseph P.↗

DOE OSTI2026

Microreactor Assembly Transportation Cask Model Description for Criticality Safety Validation Basis Assessment (Rev. 3)

Criticality safety analyses are completed on a transportation cask used for microreactor assembly shipment to provide an example of model and analysis to industry for reproducing this type of study on their microreactor fuel shipment. The fuel assembly considered is based on a gas-cooled microreactor (GC-MR), which utilizes HALEU fuel in the form of TRISO particles and utilizes various design options considered in industry designs. Various versions of this GC-MR assembly were studied, with and without YH 2 moderator, providing similar conclusions. The shipment cask design is revised based on an existing ES-3100 design, developed by Y-12 for the transport of highly enriched uranium (HEU), but is enlarged to hold the GC-MR fuel assembly. Criticality safety analysis for the cask/GC-MR fuel assembly package was performed using the CSAS6 sequence of SCALE6.3.2, utilizing the ENDF/B-VII.1 based continuous energy neutron library, and the analysis strictly follows the guideline from NRC reference reports. Different scenarios, e.g. normal operation, undamaged cask with water flooded, damaged cask with optimal water moderation, have been analyzed and it could be concluded the package would always have a large margin of subcriticality even packed in an infinite array. Sensitivity and similarity analyses are also performed using the TSUNAMI sequence of SCALE6.3.2, and the similarity analysis uses all the experiments from the ICSBEP Handbook with Highly Enriched Uranium (HEU), Intermediate and Mixed Enriched Uranium (IEU) and Low Enriched Uranium (LEU) systems, together with additional ones that are sponsored by the DNCSH program, and selected IRPhEP experiments using TRISO fuel and graphite moderator. These similarity analyses indicate that the dry nominal design has no similar benchmark experiments (ck values greater than 0.8), which may become problematic if more assemblies are shipped together (or a fully loaded core is shipped) and margin to criticality is reduced. However, the cask models with flooded assemblies exhibited similarities to many experiments with c k values greater than 0.8.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Modeling the Effects of Artificial Drainage on Agriculture-dominated Watersheds using a Fully Distributed Integrated Hydrology Model: Datasets, scripts, model files

This model-data archive supports the research paper that demonstrates the integration of agricultural drainage features—specifically, narrow engineered ditches and tile drains—into a fully distributed, basin-scale integrated surface-subsurface hydrology model (ISSHM), Amanzi-ATS. The model employs innovative computational meshes aligned with agricultural ditches and incorporates the physically based Hooghoudt's drainage equation to simulate tile drainage, offering a novel strategy that enhances the accuracy of hydrological simulations.The archived dataset includes input parameters, model configurations, and select simulation outputs for the Amanzi-ATS model that successfully captured the streamflow patterns in the Portage River Watershed as validated by USGS gauge readings. Jupyter notebook for the preparation of model inputs and post-processing of outputs are also included. The model's predictive performance achieved a normalized Kling-Gupta Efficiency (KGE) of 0.81, surpassing SWAT without the necessity for site-specific calibration.The Amanzi-ATS model presented in this modeL-data archive allows for numerical experiments to explore the shifts in the flow structure under different drainage scenarios. As a tool for advancing the understanding of distributed hydrological responses and nutrient cycling, this archived model provides valuable insights for researchers, modelers, and decision-makers involved in watershed management and environmental modeling.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model, are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Task 12 PV Sustainability - Status of PV Module Recycling in Selected IEA PVPS Task 12 Countries

Photovoltaic (PV) deployment has accelerated in recent years compared to projections in the early 2010s. This means that PV end of life (EOL) waste streams will also increase at a higher pace than anticipated. To meet and optimise PV EOL management, appropriate regulatory and technological approaches must be implemented in the near term, ensuring that available options are adapted to the conditions of each country or region. This report aims to review the current regulatory and industrial landscape for selected countries belonging to the International Energy Agency's PV Power Systems technology collaboration programme, to assess status of PV EOL management, allow for comparison and cross-fertilization, and establish a foundation for future tracking of progress. Although volumes of EOL PV modules are still small, EOL PV is treated and recycled in a proper manner in the countries and regions that have EOL regulations in place. However, the current low volumes, limited available recycling technologies, logistics challenges, and undeveloped markets for recovered materials result in a high-cost, low-revenue scenario for PV module recycling globally. Nevertheless, the implementation of PV EOL regulations in more countries and R&D investment in PV recycling is expected to accelerate further improvements to meet future demand and to achieve high-value, low-cost recycling. We hope this report contributes to understanding the global status of PV recycling and to accelerating its development as a promising option for the proper EOL management of PV modules in the coming decades.

14 SOLAR ENERGY↗

DOE OSTI2025

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Life Cycle Greenhouse Gas Emissions of Coal-Biomass Co-Firing Power Plants with Carbon Capture and Storage

The United States has set a target to achieve the net-zero economy by 2050. Bioenergy with Carbon Capture and Sequestration (BECCS) is one of the promising negative-emission routes in the mitigation portfolio to help meet this goal. Coal-biomass co-firing with carbon capture and storage (CCS) is a key BECCS technology to realize the carbon mitigation at fossil-fuel power plants. The mitigation potential of co-firing option is affected by numerous critical factors, such as biomass properties, co-firing level, and carbon capture rate. The objectives of the study are to characterize and estimate the life cycle greenhouse gas (GHG) emissions and performance of coal-biomass co-firing power plants with CCS, determine the breakeven co-firing level at power plants necessary to achieve net-zero life cycle emissions, and quantify the variabilities and uncertainties in life cycle emissions. The scope of the life cycle assessment includes the fuel supply, combustion-based power generation, and CO2 transport and storage. A fuel-based life cycle module is developed and embedded in the Integrated Environmental Control Model (IECM), a fossil-fuel power plant modeling tool. This study then applies the enhanced IECM to conduct the process-based life cycle assessment for an array of biomass co-firing scenarios. Deterministic analysis indicates that reaching net-zero life cycle emissions in a biomass co-firing plant without CCS deployment is challenging. Combining biomass co-firing and CCS deployment can significantly lower the overall life cycle emissions of power plants. Net-zero life cycle emissions can be achieved with a 20 wt.% co-firing level and 90% CCS when the Powder River Basin coal is co-fired with energy crops or forestry residues. However, the breakeven co-firing level for net-zero emissions depend on the selected fuel properties. Fuel supply and plant operation are the critical stages influencing the life cycle emissions of power plants with 90% CCS. Deployment of deep CCS beyond 90% CO2 capture can remarkably reduce operational emissions and the breakeven co-firing level. With 99% CCS, the breakeven co-firing rate can be reduced to 12% on average. These findings highlight the trade-offs between technical performance and environmental impact of biomass co-firing at coal-fired power plants and emphasize the role of deep CCS in achieving a net-zero emissions future.

Wu, Wanying↗

DOE OSTI2022

A Phase-Field Study on Internal to External Oxidation Transition in High-Temperature Structural Alloys

Structural alloys applied at high temperatures rely on an external dense layer of oxide scale for protection. As some reactive alloy components are selectively oxidized internally, understanding how these dispersed metal oxide particles reach the surface to form a protective scale—the so-called internal to external oxidation transition—is crucial for designing these alloys. While the literature is replete with experimental studies on oxidation of alloys, there is a lack of computational studies in this realm due to the complex nature of coupled reaction and diffusion processes in multicomponent multi-phase alloy systems. In this work, we apply a recently developed phase-field model to simulate the oxidation processes under different compositions and nucleation scenarios to gain insights into how a continuous oxide scale can be established. The results show that while alloy composition is critical for internal to external oxidation transition, the oxide nuclei size, shape and distribution also have significant impact on the transition kinetics.

36 MATERIALS SCIENCE↗

DOE OSTI2024

TCO Analysis Approach and Regional Analysis of dWPT for Class 8 Tractors

Dynamic Wireless Power Transfer (dWPT) is a method by which battery electric vehicles (BEVs) can charge their battery while traveling on the road without the need for a physical conductive connection to the power source. dWPT has been proposed as a strategy to enable a reduction in vehicle battery capacity and associated mass and cost. In this slide deck presented at the EVs@Scale Consortium - Wireless Power Transfer Pillar Deep-Dive Meeting on November 11th, 2023, NREL provides results from an evaluation of dWPT using data from Class 8 tractors driving in the Atlanta Metro Area. NREL selected data for archetypal days representing local, regional, and long-haul trips, defined according to trip length, that included travel on primary roadways. EVI-InMotion (Electric Vehicle Infrastructure - InMotion), a systems planning and optimization tool developed at NREL, was used to evaluate dWPT performance assuming dWPT charging on 120 road segments for a total roadway lane distance of 2,365 miles. The EVI-InMotion results and representative day drive cycles were analyzed with NREL's T3CO (Transportation Technology Total Cost of Ownership) tool to estimate the total cost of ownership (TCO) for scenarios comprising two model years - 2030 and 2040 - and two technology progress cases. TCO was calculated for diesel, fuel cell electric, BEVs with batteries sized assuming no dWPT capabilities, and 200kWh BEVs with dWPT installed. This analysis finds that en-route stationary charging frequency and downtime when not on electrified roadways are the main contributors to TCO for the dWPT vehicles and that these vehicles can achieve cost parity with FCEVs at low electricity costs. Based on the scenario assumptions used here, low electricity costs would further help the cost parity with diesel vehicles in regional and long-haul cases due to stationary fueling downtime. This presentation also concludes that key factors affecting the parity potential of dWPT-capable vehicles include more extensive dWPT road coverage, higher en-route charging power, less expensive power batteries, and higher hydrogen or diesel fuel costs.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

DOE OSTI2024

Automating the Analysis of Large Language Models Responses through Zero-Shot Question Answering

Recent advancements in Large Language Models (LLMs) have shown significant potential in various applications, yet their evaluation, particularly in zero-shot question answering scenarios, remains a challenging task. In this study, our objective was to explore precision metrics for Large Language Models (LLM) and design and implement a software pipeline to automatically evaluate LLMs' outputs under zero-shot question answering. Zero-shot question answering involves a model providing answers to questions about topics it hasn't seen during training. It leverages the principles of zero-shot learning by relying on semantic understanding and generalization from related knowledge. The data used was metadata from medical databases on congenital heart disease. We explored eleven LLM metrics and selected three for our evaluation: BLEU, BERTScore, and MoverScore. BLEU calculates a score based on the overlap of n-grams (contiguous sequences of n items, typically words) between the machine-generated translation and the reference translations. Higher BLEU scores indicate better correspondence between the machine-generated and human-generated translations. BERTScore is a metric used to evaluate the quality of machine-generated text by measuring the similarity of token embeddings produced by BERT (Bidirectional Encoder Representations from Transformers) between the generated text and reference text. MoverScore is a metric that quantifies the dissimilarity between the distributions of word embeddings from machine-generated text and reference text, emphasizing semantic similarity over exact token overlap. We also introduced HBKI, a composite metric summarizing these approaches. We tested five models —GPT-3, Llama-2, Gemini 1.5 Pro, Solar 10.7B, and Mixtral-8x7b. Our software pipeline, designed and implemented using Object-Oriented Programming principles, allows users to customize the selection and extraction of features for topics of interest in their own research. Our results show that MoverScore delivered the most precise evaluation of the LLM's outputs, while Mixtral-8x7b achieved the best overall performance in extracting metadata from the databases.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Call for Participation: Collaborative Benchmarking of Functional-Structural Root Architecture Models. The Case of Root Water Uptake

Three-dimensional models of root growth, architecture and function are becoming important tools that aid the design of agricultural management schemes and the selection of beneficial root traits. However, while benchmarking is common in many disciplines that use numerical models, such as natural and engineering sciences, functional-structural root architecture models have never been systematically compared. The following reasons might induce disagreement between the simulation results of different models: different representation of root growth, sink term of root water and solute uptake and representation of the rhizosphere. Presently, the extent of discrepancies is unknown, and a framework for quantitatively comparing functional-structural root architecture models is required. We propose, in a first step, to define benchmarking scenarios that test individual components of complex models: root architecture, water flow in soil and water flow in roots. While the latter two will focus mainly on comparing numerical aspects, the root architectural models have to be compared at a conceptual level as they generally differ in process representation. Therefore, defining common inputs that allow recreating reference root systems in all models will be a key challenge. In a second step, benchmarking scenarios for the coupled problems are defined. We expect that the results of step 1 will enable us to better interpret differences found in step 2. This benchmarking will result in a better understanding of the different models and contribute toward improving them. Improved models will allow us to simulate various scenarios with greater confidence and avoid bugs, numerical errors or conceptual misunderstandings. This work will set a standard for future model development.

Plant Sciences↗

NASA NTRS2010

Reactive Collision Avoidance Algorithm

The reactive collision avoidance (RCA) algorithm allows a spacecraft to find a fuel-optimal trajectory for avoiding an arbitrary number of colliding spacecraft in real time while accounting for acceleration limits. In addition to spacecraft, the technology can be used for vehicles that can accelerate in any direction, such as helicopters and submersibles. In contrast to existing, passive algorithms that simultaneously design trajectories for a cluster of vehicles working to achieve a common goal, RCA is implemented onboard spacecraft only when an imminent collision is detected, and then plans a collision avoidance maneuver for only that host vehicle, thus preventing a collision in an off-nominal situation for which passive algorithms cannot. An example scenario for such a situation might be when a spacecraft in the cluster is approaching another one, but enters safe mode and begins to drift. Functionally, the RCA detects colliding spacecraft, plans an evasion trajectory by solving the Evasion Trajectory Problem (ETP), and then recovers after the collision is avoided. A direct optimization approach was used to develop the algorithm so it can run in real time. In this innovation, a parameterized class of avoidance trajectories is specified, and then the optimal trajectory is found by searching over the parameters. The class of trajectories is selected as bang-off-bang as motivated by optimal control theory. That is, an avoiding spacecraft first applies full acceleration in a constant direction, then coasts, and finally applies full acceleration to stop. The parameter optimization problem can be solved offline and stored as a look-up table of values. Using a look-up table allows the algorithm to run in real time. Given a colliding spacecraft, the properties of the collision geometry serve as indices of the look-up table that gives the optimal trajectory. For multiple colliding spacecraft, the set of trajectories that avoid all spacecraft is rapidly searched on-line. The optimal avoidance trajectory is implemented as a receding-horizon model predictive control law. Therefore, at each time step, the optimal avoidance trajectory is found and the first time step of its acceleration is applied. At the next time step of the control computer, the problem is re-solved and the new first time step is again applied. This continual updating allows the RCA algorithm to adapt to a colliding spacecraft that is making erratic course changes.

Scharf, Daniel↗