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NASA NTRS2018

NASA Pilot-Engaged Expert Response Using IBM Watson Technology: Prototype Evaluation of Knowledge Retrieval System

NASA Langley Research Center and IBM have been investigating the use of IBM Watson technology in aerospace research and development. One application of Watson technology is the Pilot-Engaged Expert Response (PEER) use case. The PEER system is envisioned as an in-cockpit advisor that will act as a source of situationally-relevant information for pilots and other flight crew members to assist in decision making about real-time events and situations that arise in the course of aircraft operations. PEER will make available vast stores of knowledge and information quickly and directly, putting important informational resources where they are needed most. IBM has worked with NASA to develop an architecture and articulate a roadmap for the development of the PEER system. That vision is built around Watson Discovery Advisor (WDA) software solution, derived from IBM's Jeopardy!-winning automatic question answering system. PEER makes use of WDA's sophisticated question-answering capabilities as its core, adding important User Interface components and other customizations for the cockpit environment, including communication with flight systems and other external data sources. The development plan for PEER includes four development stages, with the current project constituting the first phase. In this project, a prototype instance of PEER was successfully adapted to the aviation domain, enabling users to ask questions about aviation topics and receive useful and accurate answers to these questions. Major tasks accomplished include the development of procedures for domain adaptation through automatic lexicon extraction from domain glossaries; generation of question-answer training data which was used to train the system; and assessment of the effectiveness of domain adaptation, which showed a dramatic improvement in the ability of the PEER system to answer domain-relevant questions. In addition, the vision for the PEER system was pushed forward by the articulation of a plan for the automatic enhancement of question-answering with contextual information. This initial phase focused on two main goals: 1) the targeted domain adaptation of the underlying WDA system to the aviation domain; and, 2) the design of the software systems needed to leverage flight-contextual data. Domain adaptation of the WDA system proceeds via three main activities: Domain data ingestion, lexical customization and model training. A textual corpus consisting of 1,147 individual documents with more than 7.5 million words of text was ingested into the system and this served as the basis of all further development. A domain lexicon of over 3,500 aviation-domain terms was semi-automatically generated from domain documents and used to train the system. In addition, a set of over 500 question-answer (QA) pairs relevant to the PEER use case was developed; these were used to train and assess the system. These important first steps established the basis for the PEER system. In addition, steps were taken towards the integration of the PEER system into the cockpit environment with the development of a functional design for the Contextual Data Augmentation (CDA) subsystem. This subsystem brings to bear contextual data to improve system responses. It has three main submodules: the Contextual Data Collection module, the Contextual Data Selection module, and the Contextual QA Augmentation module. These modules form a processing pipeline that addresses the problems associated with automatically integrating information from external resources into the knowledge-retrieval mechanism.

Machine learning↗
DOE OSTI2022

MELCOR Accident Progression and Source Term Demonstration Calculations for a Heat Pipe Reactor

MELCOR is an integrated thermal hydraulics, accident progression, and source term code for reactor safety analysis that has been developed at Sandia National Laboratories for the United States Nuclear Regulatory Commission (NRC) since the early 1980s. Though MELCOR originated as a light water reactor (LWR) code, development and modernization efforts have expanded its application scope to includ e non-LWR reactor concepts. Current MELCOR development efforts include providing the NRC with the analytical capabilities to support regulatory readiness for licensing non-LWR techno logies under Strategy 2 of the NRC?s near- term Implementation Action Plans. Beginning with the Next Generation Nuclear Project (NGNP), MELCOR has undergone a range of enha ncements to provide analytical capabilities for modeling the spectrum of advanced non-LWR concepts. This report describes the generic plant model developed to demonstrate MELCOR capabilities to perform heat pipe reactor (HPR) safety evaluations. The generic plant mode l is based on a publicly-available Los Alamos National Laboratory (LANL) Megapower design as modified in the Idaho National Laboratory (INL) Design A description. For plant aspects (e.g., reactor building size and leak rate) that are not described in the LANL and INL references , the analysts made assumptions needed to construct a MELCOR full-plant model. The HP R uses high assay, low-enrichment uranium (HALEU) fuel with steel cladding that uses heat pipes to transfer heat to a secondary Brayton air cycle. The core region is surrounded by a stainless-steel shroud, alumina reflector, core barrel and boron carbide neutron shield. The reactor is secured inside a below-grade cavity, with the operating floor located above the cavity. Example calculations are performed to show the plant response and MELCOR capabilities to characterize a range of accident conditions. The accidents selected for evaluation consider a range of degraded and failed modes of operation for key safety functions providing re activity control, the primary and secondary system heat removal, and the effectiveness of th e confinement natural circulation flow into the reactor cavity (i.e., a flow blockage).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Interactions between molecular-scale processes and hyporheic exchange for understanding Fe-S-C cycling in riparian wetlands (Final Report)

Wetlands represent some of the most productive ecosystems on the planet and critically influence global environmental health. Specifically, wetlands promote water quality by transforming nutrients and organic compounds and sequestering metals and contaminants. Riparian wetland hyporheic zones, where toxic surface water and anoxic groundwater mix, exhibit dynamic conditions that drive steep redox gradients and promote hotspots of diverse and fluctuating microbial activity. Changes in climate, water quality, and water quantity can disturb hydrologic flow and biogeochemical processing in these environments. Understanding how sulfate loading, impacted by hydrologic flux and anthropogenic inputs, influences iron and carbon cycling in wetlands will be crucial for predicting water quality issues driven by iron mineral precipitation and sorption, such as the release of heavy metals and other toxic elements. We used a fully integrated multi-scale and multi-method approach to develop a mechanistic understanding of how hydrologic flow influences coupled iron and sulfur cycles in riparian wetlands. This entailed hydrological, geochemical, and microbial observations at two locations: an anthropogenic sulfate-impacted riparian wetland in northern Minnesota, and a low-sulfate Fe-rich riparian wetland in Tims Branch at the Savannah River Site (SRS). These sites were characterized by hydrologically dynamic conditions where the stream and wetland systems oscillated between gaining (upward flow) and losing (downward flow) conditions that recharged the system occasionally with oxidants that fueled a variety of biogeochemical reactions. Aqueous geochemical measurements of surface water, groundwater, and porewater samples were made alongside solid-phase geochemical analyses of sediment gravity cores. Bulk X-ray absorption spectroscopy at the Advanced Photon Source (APS; Argonne) interrogated the speciation and distribution of Fe and S mineral phases of the sediments. Interestingly, it was discovered that, despite strongly reducing conditions, Fe(III) compounds and a variety of intermediate valence S compounds were stable in the subsurface. Indeed, compounds like thiosulfate, S(0), and intermediate valence organosulfur compounds were more prevalent than FeS and pyrite. The composition of the sediments did change with changes in hydrologic flow, showing their reactivity in changing redox conditions. The abundance of these intermediate S compounds was likely formed as a result of anaerobic oxidation by aqueous and solid-phase Fe(III) compounds, fueling a cryptic S cycle that is driving the breakdown of organic matter in the hyporheic zone. Microbiome surveys showed a core community that seemed stable across the landscape, but changed with increasing depth into the sediment. The community composition did not seem to change dramatically with changes in season or hydrologic flow, except for some organisms that have the potential to contribute to S cycling. More work is needed to confirm their functional activity. These fine process-scale analyses were placed within a dynamic field context using physical flow parameters from surface water and groundwater level measurements. These data helped shed light on sulfur-driven biogeochemical processes in hydrologically dynamic riparian wetlands, addressing a gap in our understanding about the impacts of pollution and other anthropogenic changes on ecologically sensitive environments.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Remote sensing of earth terrain

In remote sensing, the encountered geophysical media such as agricultural canopy, forest, snow, or ice are inhomogeneous and contain scatters in a random manner. Furthermore, weather conditions such as fog, mist, or snow cover can intervene the electromagnetic observation of the remotely sensed media. In the modelling of such media accounting for the weather effects, a multi-layer random medium model has been developed. The scattering effects of the random media are described by three-dimensional correlation functions with variances and correlation lengths corresponding to the fluctuation strengths and the physical geometry of the inhomogeneities, respectively. With proper consideration of the dyadic Green's function and its singularities, the strong fluctuation theory is used to calculate the effective permittivities which account for the modification of the wave speed and attenuation in the presence of the scatters. The distorted Born approximation is then applied to obtain the correlations of the scattered fields. From the correlation of the scattered field, calculated is the complete set of scattering coefficients for polarimetric radar observation or brightness temperature in passive radiometer applications. In the remote sensing of terrestrial ecosystems, the development of microwave remote sensing technology and the potential of SAR to measure vegetation structure and biomass have increased effort to conduct experimental and theoretical researches on the interactions between microwave and vegetation canopies. The overall objective is to develop inversion algorithms to retrieve biophysical parameters from radar data. In this perspective, theoretical models and experimental data are methodically interconnected in the following manner: Due to the complexity of the interactions involved, all theoretical models have limited domains of validity; the proposed solution is to use theoretical models, which is validated by experiments, to establish the region in which the radar response is most sensitive to the parameters of interest; theoretically simulated data will be used to generate simple invertible models over the region. For applications to the remote sensing of sea ice, the developed theoretical models need to be tested with experimental measurements. With measured ground truth such as ice thickness, temperature, salinity, and structure, input parameters to the theoretical models can be obtained to calculate the polarimetric scattering coefficients for radars or brightness temperature for radiometers and then compare theoretical results with experimental data. Validated models will play an important role in the interpretation and classification of ice in monitoring global ice cover from space borne remote sensors in the future. We present an inversion algorithm based on a recently developed inversion method referred to as the Renormalized Source-Type Integral Equation approach. The objective of this method is to overcome some of the limitations and difficulties of the iterative Born technique. It recasts the inversion, which is nonlinear in nature, in terms of the solution of a set of linear equations; however, the final inversion equation is still nonlinear. The derived inversion equation is an exact equation which sums up the iterative Neuman (or Born) series in a closed form and, thus, is a valid representation even in the case when the Born series diverges; hence, the name Renormalized Source-Type Integral Equation Approach.

Yueh, Herng-Aung↗
NASA NTRSDate not supplied

INCREASING THE TRANSPARENCY AND REPRODUCIBILITY OF SPACE RADIATION SCIENCE: THE RADIATION BIOLOGY ONTOLOGY

Among the primary objectives of the Open/Open-Source Science paradigm are making scientific investigation data transparent and results reproducible [1], objectives shared by the FAIR principles [2]. To accomplish this, the conceptual framework that includes all the investigation objects needs to be accurately captured and communicated to all data consumers. A large part of this requires using metadata standards to annotate data collected. These standards should be readily accessible, informed by scientific community consensus and sufficiently specific to encompass all of the important aspects of the investigation. Starting in 2020 we have been co-leading an open consortium to develop a new metadata standard, the Radiation Biology Ontology (RBO), through the Open Biological and Biomedical Ontologies (OBO) Foundry [3]. We began by transforming many of the terms from the National Council on Radiation Protection and Measurement into concepts that can be formally related to existing OBO Foundry classes or attributes. We then identified and imported into the RBO existing OBO Foundry classes that have obvious relevance for radiation biomedicine (for example, concepts from the Environment Ontology that describe radiative processes, and concepts from the Gene Ontology dealing with molecular and cellular responses to radiation). Finally, we scrutinized datasets from investigations of radiation effects held in NASA GeneLab and LSDA repositories and added additional classes, instances, and attributes into the RBO that should be used to annotate these data. We developed the RBO using the open-source tools of GitHub and publish the RBO periodically through the NIH/NCBI BioPortal website, so systems worldwide can leverage the knowledge it contains [4]. This initial phase of concept modeling has yielded an RBO that at present has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies. While this first phase has focused on concepts for annotating samples, environments, exposures, and measurements, the next phase will center on supporting annotation of results and findings, such as concept models of molecular, cellular and tissue effects. The value of the RBO will be determined in part by our ability to engage the community in its development, and we have established a Radiobiology Informatics Consortium with unrestricted membership as the owner of the RBO in order to encourage investigators, system owners and other to join in this effort. Anyone can report issues or request new concept modeling or other features directly on GitHub. By using the BioPortal application programming interface, systems can pose dynamic queries to the latest version of the RBO for information on individual classes or entire hierarchies; this design eliminates the need for systems to be updated in order to use newer versions of the RBO. We hope to contribute to the advancement of open radiobiological science through the continued, open development of the RBO, that will provide more precise, machine-interpretable descriptions of investigations, as well as support data meta-analysis through machine learning or other artificial intelligence methods. REFERENCES [1] Open science in space. Nature Medicine, 2021. 27(9): p. 1485-1485. [2] Wilkinson, M.D., et al., The FAIR Guiding Principles for scientific data management and stewardship. Sci Data, 2016. 3: p. 160018. [3] Smith, B., et al., The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration. Nat Biotechnol, 2007. 25(11): p. 1251-5. [4] Whetzel, P.L., et al., BioPortal: enhanced functionality via new Web services from the National Center for Biomedical Ontology to access and use ontologies in software applications. Nucleic Acids Res, 2011. 39(Web Server issue): p. W541-5.

informatics↗
DOE OSTI2023

Digital Twin for Hydropower System Object Modeling: Alder Dam (FY2023)

Hydropower is the world's largest source of renewable electricity, and hydropower plants are distributed all over the world. Typical major components of a hydropower plant are the governor, excitation, generator, thrust bearing, hydraulic turbine, transformer, the main lead, metering and control, tailwater depression, and dissolved oxygen. For each component, various measures are taken. The measurements are acquired by various heterogeneous systems, including standalone sensors, programmable logic controllers (PLC), Supervisory control and data acquisition (SCADA), Internet of Things (IoT), and data acquisition and integration platforms such as OSI/PI. The measured data are often archived within the plant by a data management platform, and many institutions have cloud-based archive systems, such as Hydropower Research Institution (HRI), U.S. Army Corps of Engineers (USACE), and Columbia River Data Access in Real Time (DART). Object Modeling is a general framework for designing information systems. It focuses on objects, the actions they perform, and the messages they send to one another to cause those actions to be taken. The major differences among object modeling, network modeling, data modeling, and process modeling are that in the first we focus on the actions in response to information, objects which form the system, the actions they perform, and how they pass information to one another, while in the second we concentrate on where, when and how much information is moved, while in the third we focus on what information is moved and where it is moved, while in the last we focus on how it is moved and when it is moved. Object modeling was developed basically as a method to develop object-oriented systems and to support object-oriented programming. It describes the static structure of the system. The object Modeling Technique is easy to draw and use. That is why we choose object modeling to connect physical hydropower plants to Digital Twin. It recognizes the objects and the relationship between them. It identifies the attributes and functions of each class. Dynamic Modeling: It explains how objects respond to events. Functional Modeling indicates the processes executed in an object and how data changes when it moves to objects. It has been used in many applications like telecommunication, transportation, etc.

13 HYDRO ENERGY↗
NASA NTRS2011

Standards and Specifications for Ground Processing of Space Vehicles: From an Aviation-Based Shuttle Project to Global Application

Proprietary or unique designs and operations are expected early in any industry's development, and often provide a competitive early market advantage. However, there comes a time when a product or industry requires standardization for the whole industry to advance...or survive. For the space industry, that time has come. Here, we will focus on standardization of ground processing for space vehicles and their ground systems. With the retirement of the Space Shuttle, and emergence of a new global space race, affordability and sustainability are more important now than ever. The growing commercialization of the space industry and current global economic environment are driving greater need for efficiencies to save time and money. More RLV's (Reusable Launch Vehicles) are being developed for the gains of reusability not achievable with traditional ELV's (Expendable Launch Vehicles). More crew/passenger vehicles are also being developed. All of this calls for more attention needed for ground processing-repeatedly before launch and after landing/recovery. RLV's should provide more efficiencies than ELV's, as long as MRO (Maintenance, Repair, and Overhaul) is well-planned-even for the unplanned problems. NASA's Space Shuttle is a primary example of an RLV which was supposed to thrive on reusability savings with efficient ground operations, but lessons learned show that costs were (and still are) much greater than expected. International standards and specifications can provide the commonality needed to simplify design and manufacturing as well as to improve safety, quality, maintenance, and operability. There are standards organizations engaged in the space industry, but ground processing is one of the areas least addressed. Challenges are encountered due to various factors often not considered during development. Multiple vehicle elements, sites, customers, and contractors pose various functional and integration difficulties. Resulting technical publication structures and methods are incongruent. Some processing products are still done on paper, some electronic, and many being converted in between. Business systems then are not fully compatible, and paper as well as electronic conversions are time-consuming and costly. NASA and its Shuttle contractors setup rules and systems to handle what has produced over 130 RLV launches, but they have had many challenges. Attempts have been made to apply aviation industry specifications to make the Shuttle more efficient with its ground processing. One efficiency project example was to make a Shuttle Maintenance Manual (SMM) based on the commercial ATA (Air Transport Association of America) Spec 100 for technical publications. This industry standard, along with others, has been a foundation for efficient global MRO of commercial airlines for years. A modified version was also made for some military aircraft. The SMM project found many similarities in Spec 100 which apply to the Shuttle, and room for expansion for space systems/structures not in aircraft. The SMM project team met with the ATA and representatives from NASA's X-33 and X-34 programs to discuss collaboration on a national space standard based on Spec 100. A pilot project was enabled for a subset of Shuttle systems. Full implementation was not yet achieved, X-33 and X-34 were cancelled, and the Shuttles were then designated for retirement. Nonetheless, we can learn from this project how to expand this concept to all space vehicle products. Since then, ATA has joined with ASD (AeroSpace and Defence Industries Association of Europe) and AIA (Aerospace Industries Association) to form a much-enhanced and expanded international specification: Sl000D, International Specification for Technical Publications. It includes air, land, and sea vehicles, missiles, support equipment, ordnance, and communications. It is used by a growing number of countries for commercial and government products. Its modular design is supported by a Common Source Dabase (CSDB), and COTS (commercial off-the-shelf) software is available for production of IETP's (Interactive Electronic Technical Publications). A few space industry products in Europe have begun to apply Sl000D already. Also, there are other related standards/specifications which have global implications. We have an opportunity to adapt Sl000D and possibly other standards for use with space vehicles and ground systems. Sl000D has plenty of flexibility to apply to any product needed. To successfully grow the viability of the space industry, all members, commercial and government, will need to engage cooperatively in developing and applying standards to move toward interoperability. If we leverage and combine the best existing space standards and specifications, develop new ones to address known gaps, and adapt the best applicable features from other industries, we can establish an infrastructure to not only accelerate current development, but also build longevity for a more cohesive international space community.

Ingalls, John↗
DOE OSTI2023

New Developments and Capabilities Within WEC-Sim

WEC-Sim is an open-source software for simulating wave energy converters and has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory and Sandia National Laboratories within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with the latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1, which spans a 2-year period from June 2020 to September 2022. New features described here include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗
DOE OSTI2022

MELCOR Accident Progression and Source Term Demonstration Calculations for a FHR

MELCOR is an integrated thermal hydraulics, accident progression, and source term code for reactor safety analysis that has been developed at Sandia National Laboratories for the United States Nuclear Regulatory Commission (NRC) since the early 1980s. Though MELCOR originated as a light water reactor (LWR) code, development and modernization efforts have expanded its application scope to include non-LWR reactor concepts. Current MELCOR development efforts include providing the NRC with the analytical capabilities to support regulatory readiness for licensing non-LWR technologies under Strategy 2 of the NRC's near- term Implementation Action Plans. Beginning with the Next Generation Nuclear Project (NGNP), MELCOR has undergone a range of enhancements to provide analytical capabilities for modeling the spectrum of advanced non-LWR concepts. This report describes the generic plant model developed to demonstrate MELCOR capabilities to perform fluoride-salt-cooled high-temperature reactor (FHR) safety evaluations. The generic plant model is based on publicly-available FHR design information. For plant aspects (e.g., reactor building leak rate and details of the cover-gas system) that are not described in the FHR references, the analysts made assumptions needed to construct a MELCOR full-plant model. The FHR model uses a TRi-structural ISOtropic (TRISO)-particle fuel pebble-bed reactor with a primary system rejecting heat to two coiled tube air heat ex changers. Three passive direct reactor auxiliary cooling systems provide heat removal to supplement or replace the emergency secondary system heat removal during accident conditions. Surrounding the reactor vessel is a low volume reactor cavity that insulates the reactor with fire bricks and thick concrete walls. A refractory reactor liner system provides water cooling to reduce the concrete wall temperatures. Example calculations are performed to show the plant response and MELCOR capabilities to characterize a range of accident conditions. The accidents selected for evaluation consider a range of degraded and failed modes of operation for key safety functions providing reactivity control, the primary system decay heat removal and also a piping leak of the line to the coolant drain tank.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

New Developments and Capabilities Within WEC-Sim: Preprint

WEC-Sim is an open-source software for simulating wave energy converters, which has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (Sandia) within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with our latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1 which spans over a two year period from June 2020 to September 2022. New features to be described will include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗
DOE OSTI2025

In Situ Surface Reconstruction via Lithium Residue Regulation for Direct Recycling of Ni-Rich Cathodes

Surface stability is crucial for the long cycling performance of Ni-rich cathodes, as it dictates and governs side reactions, preserves crystal integrity, and mitigates capacity degradation during cycling. For spent Ni-rich cathodes targeted for one-step direct recycling, constructing a robust and stable surface is particularly challenging because prior cycling induces severe structural and morphological degradation. Here, in this study, we introduce an in situ surface reconstruction strategy that converts surface lithium residues into a protective layer via a direct liquid-phase coating with ammonium dihydrogen phosphate (ADP). During the process, residual lithium remaining after the hydrothermal relithiation is removed, while a conformal lithium phosphate (Li 3 PO 4 , LPO) layer is formed to act as both a chemical barrier and a structural stabilizer. This dual function enhances cycling stability and rate capability in regenerated cathodes, and the approach is applicable to various Ni-rich compositions including spent LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) and scrap LiNi 0.866 Mn 0.066 Co 0.05 Al 0.018 O 2 (NCMA). Its scalability and compositional versatility make it a promising route for sustainable regeneration of high-performance cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Energy Analysis of Combi Heat Pump System Configurations for Space Conditioning and Domestic Hot Water Heating in Residential Buildings

Combi heat pump systems, also referred to multifunctional variable refrigerant flow heat recovery (MF-VRFHR) systems, are specifically designed for residential applications to manage both space conditioning and domestic hot water (DHW). They have attracted attention due to their potential for energy conservation through heat recovery. The incorporation of a hot water tank introduces various system configurations, each characterized by distinct pros and cons related to energy efficiency, system stability, and maintenance. Despite this, a critical gap exists as the specific energy performance remains unquantified under diverse operational modes (e.g., heating mode and heat recovery mode). This paper aims to bridge this gap by conducting a comprehensive comparative analysis of two prevalent system configurations while considering feasible proposed control logics. Configuration 1 integrates a separate hot water tank and a refrigerant-to-water heat exchanger (HEX), also known as a Hydro Kit while Configuration 2 incorporates a refrigerant-wrapped hot water tank. To facilitate this analysis, we developed high-fidelity system models for both configurations in Modelica, capturing system dynamics and detailed control sequences effectively. These system models were built upon the TIL library for HVAC equipment components and the Buildings library for residential building thermal load calculations. The validation of the simulation testbed utilized data from experiments conducted in the PNNL lab home for Configuration 1. To establish the simulation testbed for Configuration 2, we extended the modeling setup derived from Configuration 1. This extension specifically involved substituting the separate hot water tank and Hydro Kit with a refrigerant-wrapped hot water tank of similar sizing sourced from an actual product. The simulation analysis of heating-only and heat recovery modes reveals that Configuration 2 not only saves energy and maintains warmer tank temperatures but also demonstrates faster water heating capabilities. This is attributed to decreased energy loss and improved heat transfer. The study encompasses a wide range of scenarios, considering diverse thermal loads and water usage patterns across heating and heat recovery modes. Overall, the comprehensive results indicate that Configuration 2 achieves energy savings ranging from 3.5% to 12.2% compared to Configuration 1, depending on factors such as water usage patterns, thermal loads, and operational modes.

Configuration, Comparison, Multi-functional, Resid↗
DOE OSTI2018

Thermal scattering law of C 2 H 4 n : Integrating experimental data with DFT calculations

Improvements in determination of the thermal scattering law of moderator materials (measuring, calculating and validating) are important for accurate prediction of neutron thermalization in nuclear systems. In this paper a methodology for producing thermal scattering libraries from the experimental data for polyethylene C 2 H 4 n is discussed. Double differential scattering cross section (DDSCS) experiments were performed at the Spallation Neutron Source of Oak Ridge National Laboratory (SNS ORNL). New scattering kernel evaluations, based on phonon spectrum for C 2 H 4 n , are created using the NJOY2016 code. Two different methods were used: direct and indirect geometry neutron scattering at ARCS and SEQUOIA, and VISION instruments, respectively, where the phonon spectrum was derived from the dynamical structure factor S(Q, ω ) obtained from the measured DDSCS. In order to compare and validate the newly created library, the experimental setup was simulated using MCNP6.1. Compared with the current ENDF/B-VII.1, the resulting RPI C 2 H 4 n libraries improved both double differential scattering and total scattering cross sections. A set of criticality benchmarks containing C 2 H 4 n from HEU-MET-THERM resulted in an overall improved calculation of K eff , although the libraries should be tested against benchmarks more sensitive to C 2 H 4 n . The DFT + oClimax method is used and is shown to be most comprehensive method for analysis of moderator materials. Finally, the importance of DFT + oClimax method lies in the fact that it can be validated against all data measured at VISION, ARCS and SEQUOIA, and experimental total scattering cross section measurements.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

A second‐generation virtual‐pinhole PET device for enhancing contrast recovery and improving lesion detectability of a whole‐body PET/CT scanner

Purpose We have developed a second‐generation virtual‐pinhole (VP) positron emission tomography (PET) device that can position a flat‐panel PET detector around a patient's body using a robotic arm to enhance the contrast recovery coefficient (CRC) and detectability of lesions in any region‐of‐interest using a whole‐body PET/computed tomography (CT) scanner. Methods We constructed a flat‐panel VP‐PET device using 32 high‐resolution detectors, each containing a 4 4 MPPC array and 16 16 LYSO crystals of 1.0 1.0 3.0 mm 3 each. The flat‐panel detectors can be positioned around a patient's body anywhere in the imaging field‐of‐view (FOV) of a Siemens Biograph 40 PET/CT scanner by a robotic arm. New hardware, firmware and software have been developed to support the additional detector signals without compromising a scanner's native functions. We stepped a 22 Na point source across the axial FOV of the scanner to measure the sensitivity profile of the VP‐PET device. We also recorded the coincidence events measured by the scanner detectors and by the VP‐PET detectors when imaging phantoms of different sizes. To assess the improvement in the CRC of small lesions, we imaged an elliptical torso phantom measuring 316 228 162 mm 3 that contains spherical tumors with diameters ranging from 3.3 to 11.4 mm with and without the VP‐PET device. Images were reconstructed using a list mode Maximum‐Likelihood Estimation‐Maximization algorithm implemented on multiple graphics processing units (GPUs) to support the unconventional geometries enabled by a VP‐PET system. The mean and standard deviation of the CRC were calculated for tumors of different sizes. Monte Carlo simulation was also conducted to image clusters of lesions in a torso phantom using a PET/CT scanner alone or the same scanner equipped with VP‐PET devices. Receiver operating characteristic (ROC) curves were analyzed for three system configurations to evaluate the improvement in lesion detectability by the VP‐PET device over the native PET/CT scanner. Results The repeatability in positioning the flat‐panel detectors using a robotic arm is better than 0.15 mm in all three directions. Experimental results show that the average CRC of 3.3, 4.3, and 6.0 mm diameter tumors was 0.82%, 2.90%, and 5.25%, respectively, when measured by the native scanner. The corresponding CRC was 2.73%, 6.21% and 10.13% when imaged by the VP‐PET insert device with the flat‐panel detector under the torso phantom. These values may be further improved to 4.31%, 9.65% and 18.01% by a future dual‐panel VP‐PET insert device if DOI detectors are employed to triple its detector efficiency. Monte Carlo simulation results show that the tumor detectability can be improved by a VP‐PET device that has a single flat‐panel detector. The improvement is greater if the VP‐PET device employs a dual‐panel design. Conclusions We have developed a prototype flat‐panel VP‐PET device and integrated it with a clinical PET/CT scanner. It significantly enhances the contrast of lesions, especially for those that are borderline detectable by the native scanner, within regions‐of‐interest specified by users. Simulation demonstrated the enhancement in lesion detectability with the VP‐PET device. This technology may become a cost‐effective solution for organ‐specific imaging tasks.

Jiang, Jianyong↗
NASA NTRS2016

An Efficient Single Frequency Ho:YLF Laser for IPDA Lidar Applications

A highly efficient, versatile, single frequency 2-micron pulsed laser can be used in a pulsed Differential Absorption Lidar (DIAL) / Integrated Path Differential Absorption (IPDA) instrument to make precise, high-resolution measurements to investigate sources and sinks of CO2. For a direct detection IPDA lidar, the desired 2 m Ho:YLF laser should generate 30-40 mJ pulses at the repetition rate of 100 to 200 Hz, with short pulse length (<100 ns) and better than 2% wall plug efficiency. A Tm fiber laser in-band pumped Ho:YLF laser has been developed to meet this technical challenge. This Ho:YLF laser is designed in a four mirror ring resonator with bow tie configuration, which helps to obtain high beam quality. It is end-pumped by a 40 W linearly polarized Tm fiber laser at 1.94μm. The resonator length is 1.10 meters with output coupler reflectivity at 45%. The laser crystal size is 3 x 3 x 60 mm (w, h, l) with a doping concentration of 0.5% Holmium. The laser beam and pump beam are mode-matched in the active medium. Thus, the pump and laser beams have the same confocal parameters. Mode-matching is also helpful for operating the laser in a single transverse mode. The laser beam waist is slightly less than 0.5 mm at the center of the laser crystal. Based on quasi-four level modeling, pump absorption and saturation depend on laser intensity. Laser amplification and saturation also depend on the pump intensity in the crystal. The laser is injection seeded to obtain the single frequency required by an IPDA lidar measurement. The seed beam is entered into the resonator through an output coupler. The laser is mounted on a water cooled optical bench for stable and reliable operation. The size of the optical bench is 22.16 x 9.20 x 1.25 inches. It is stiffened so that the laser can be operated in any orientation of the optical bench. This packaged Ho:YLF laser is designed for either mobile trailer or airborne platform operation. The engineering prototype Ho:YLF laser has been fully characterized to demonstrate laser performance. Figure 1 shows the laser output power as a function of pump power at different pulse repetition rates from 100 Hz to 333 Hz. The threshold of the laser is less than 14 W. The slope efficiencies are 28%, 40%, 41% and 43% for pulse repetition rates of 100, 200, 250 and 333 Hz, respectively. Maximum power increases with the pulse repetition rate. Output power of 4.2 W, 6 W, 6.7 W, and 7.7 W is achieved for pulse repetition rates of 100, 200, 250 and 333Hz, respectively. This represents the optical conversion efficiency of 16.7%, 22.4%, 23.7%, and 26.5% at these various pulse repletion rates. It is the most efficient and compact Ho:YLF laser demonstrated in the high pulse energy (>20mJ) and moderate pulse repetition rate (100's Hz) operation range. As shown in Figure 1, the maximum pulse energy at 100 Hz is 42 mJ. This is limited due to optical damage. The laser stability is characterized and found to be very stable. A relative pulse energy standard deviation of 2% was measured. The beam quality of the Ho:YLF was measured by a Spiricon infrared laser beam camera. Figure 2 shows the beam profile image of the laser. Both the X-profile of the beam (horizontal direction) and the Y-profile of the beam (vertical direction) are well fitted by a Gaussian profile. The qualitative beam quality measurement shows excellent beam quality in both axis. The M-square value for the laser beam is measured at 1.06 and 1.09 for the x and y axis respectively.-

Yu, J.↗
DOE OSTI2026

A solid-state extrusion pathway extensible to upcycling aluminum scrap and end-of-life permanent magnets into ductile Al-6061/SmCo 5 structural magnetic composites

Permanent magnets offer strong potential for multifunctional structural components, but their inherent brittleness limits direct integration. Here, SolidStir® Extrusion (SSE) is used to embed SmCo5 powder into AA6061 in the solid state, and the resulting microstructure, interfacial chemistry, mechanical properties, and magnetic response are systematically characterized. SSE fragments the initial SmCo 5 powder into predominantly fine particles dispersed within an ultrafine Al matrix, with a volume fraction of ∼ 4–6 % in this proof-of-concept study. Interfacial reactions form a continuous Al–Co reaction layer, with local atomic-resolution indexing consistent with Al 13 Co 4 , together with Sm–Si-rich reaction products, while the matrix contains Sm–Co–Si-rich precipitates and Mg 2 Si, producing features from nanometers to micrometers. Compared with an Al extrudate, this architecture increases yield strength by ∼ 42 % and tensile strength by ∼ 31 %, while preserving uniform elongation, and it sustains work hardening in compression from 150 to 400 °C. The composite retained hard-magnetic behavior, with axial magnetization of 12.7 A·m 2 kg −1 at 6 T and intrinsic coercivity of 9.6 kOe. These findings demonstrate that SSE can produce Al-based load-bearing magnetic composites while preserving useful SmCo5 functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analysis and Planning Framework for Nuclear Plant Transformation

Commercial nuclear power in the United States has been an unqualified success by any measure, providing low cost, carbon-free, and safe baseload electricity for decades. The industry today is at the peak of its historical performance in terms of generation output, reliable operations, and demonstrated nuclear safety. However, it is no longer among the lowest-cost electric generation sources with the emergence of subsidized renewables and shale gas generation. The business model that has served the operating nuclear fleet so well over its life is now a drag on cost performance due to its reliance on a large highly skilled labor force. In contrast, digital technology and innovation are enabling dramatic efficiencies in energy production, resulting in fierce competition for a commodity such as electricity. The nuclear power industry has responded to this challenge with many initiatives to improve efficiency and modernize plant equipment, especially where reliability and obsolescence issues are pressing. However, it would be a missed opportunity to merely modernize the plant components and the work processes of an outdated business model that was formulated to manage the technology of the 1960s. Rather, the greater opportunity is to transform that business model to one that fully exploits the capabilities of modern digital technology, resulting in substantially lower production costs and sustainable market viability. One successful example of such transformation is the concept of Integrated Operations, which was introduced into the North Sea oil and gas industry a couple of decades ago when the profitability of operating these fields was severely threatened by low world petroleum prices and the high overhead of operating the offshore oil and gas platforms. This effort resulted in significant changes to how these oil fields were operated and allowed the industry to continue profitable operation of these platforms. This example has some remarkable parallels to the U.S. commercial nuclear industry as described in the next section. This report provides an analysis and planning framework for such a nuclear plant operating model transformation based on the transferable learnings from the North Sea transformation. This framework is termed Integrated Operations for Nuclear or ION. This report describes the key principles and methods of Integrated Operations and how they are being applied in a collaboration between the DOE Light Water Reactor Sustainability Program and Xcel Energy in an initiative to transform its operating model for performance improvement and long-term sustainability. It describes a method to bring the operating costs of a nuclear fleet in line with market-based pricing, transforming work functions to reduce cost with technology innovations. This initiative will continue over the next several years in the detailed development of transformative concepts for nuclear plants, which will be published as follow-up to this initial report on Integrated Operations for Nuclear.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗