Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Reasoning”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Characterization of Sr-90 Drums at the Hanford 618-10 Burial Ground - 16132

The 618-10 Burial Ground on the Hanford Reservation was an early trench waste site used for the disposal of waste from the 300 Area at Hanford. Much of this waste consisted of residues from evaluations of failed fuel as well as various process and separations studies associated with the Department of Energy (DOE) mission which were performed in the 300 Area between March 1954 and September 1963. Historical records indicated that there were also several drums which contained significant quantities of separated Sr-90. Cleanup of the 618-10 burial ground is covered under the Washington Closure Hanford (WCH) contract. Due to the proximity of the 618-10 site to the Columbia River, waste is being removed from the 618-10 site, stabilized, and disposed of into either the Environmental Restoration Disposal Facility (ERDF) if the containers are determined to be LLW or transferred to the Hanford Central Waste Complex (CWC) if the containers are suspected to be TRU waste. In order to determine the correct disposal path, Non Destructive Assay (NDA) must be performed on all of the containers excavated from the trenches. The NDA of these containers is performed using germanium gamma spectroscopy with an In Situ Object Counting System (ISOCS) and with a neutron slab counter. Occasional ISOCS spectra exhibited a characteristic Sr-90/Y-90 Bremsstrahlung continuum. In some cases there were measurable gammas present, however in other cases only the Bremsstrahlung continuum was present. Typically Sr-90 is correlated to Cs-137 as they are normally produced in approximately a 1:1 ratio during the fission process. For some of these drums there was no Cs-137 detectable and therefore no way to quantify the Sr-90. Due to concerns about providing a reasonable and conservative nuclide inventory it was decided to evaluate a technique to utilize data from the Bremsstrahlung continuum to quantify the Sr-90 activity in these drums. The development of the technique combined MCNP modeling and comparison of measured gammas to the continuum for a well-defined waste stream. The final result showed reasonable correlation to the expected scaling factors for many drums, while also providing a reasonable measured value for drums with significantly enhanced Sr-90 concentrations. Ultimately all drums were demonstrated to be within the ERDF waste acceptance criteria. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

As Permanent as Practicable: The reality of Permanent Markers - 16191

The regulatory requirements in the United States do not require any specific time frame for the duration of permanent marker systems to inform future generations of the presence of deep geologic nuclear waste repositories. The requirement is for markers to be 'as permanent as practicable'. For the Waste Isolation Pilot Plant in New Mexico, the U.S. Department of Energy chose a 10,000 year Passive Institutional Controls program goal. Passive Institutional Controls are to be designed prior to facility closure and implemented prior to the completion of the Active Institutional Controls program. Nuclear waste repositories across the world are actively developing marker and message systems, as required by their own regulations, for time frames either specified in those regulations or to be proposed to the regulator by the implementing organization. Time frames may be based upon the radioactive characteristics of the various isotopes being disposed of in the repository under consideration, or they may be based on some utility function that balances investment, practicability and risk. Scientifically, there are a number of time frames that make sense. However, an important determinant of effectiveness that has not been taken into consideration is the impact of the human connection, the receiver of the message. The major obstacle that the permanent marker systems need to overcome is the impact that humans will have over time. Historically, no monument has ever survived more than a few thousand years when humans come in contact with it. No matter what size of monument or topic the monument represents, humans have a history of destroying monuments beginning just a few generations after the monument's construction. The only way to ensure that a monument system can endure long time frames is to isolate it from humans. Eliminating contact with humans for whom the messages are meant defeats the very purpose of having an informative marker and message system. A more reasonable and historically supported time frame of 1,000 years would assure that no unreasonable cost would be incurred by current generations. Future generations could decide to continue maintaining the message, or not; and the likelihood of destruction of the markers by subsequent generations would be reduced since the knowledge of the markers and messages would have been transmitted within a more reasonable time frame over which language continuity, for example, would likely be manageable. Future preservation of the marker system and future human actions cannot be controlled, but the goal is to build a marker and message delivery system that reduces the likelihood of inadvertent future human disturbance of a deep geologic repository. This is the typical regulatory requirement on future information systems. Regulators who insist on an extremely long time frame for marker effectiveness should consider the historical realities of 'permanent' markers and monuments and propose a more reasonable time frame. Perhaps it would be more practicable to require 1,000 years for informing future generations and then allow them to determine what they wish to do to protect the future for another, perhaps similar, period of time. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Decommissioning of the Chernobyl NPP: Problems, Progress, Prospects - 18485

Decommissioning of the Chernobyl NPP provides a special case due to a number of peculiarities: it is prescheduled decommissioning, the facilities undergone a major accident with off-site contamination, no previous experience of decommissioning of RBMK-type nuclear power units, unavailability of proper spent fuel and radioactive waste management infrastructure, special types of waste. The most challenging issue is the final decommissioning of the Unit 4 destroyed by the major accident on 26 April 1986. Neither of four RBMK-1000 nuclear power units was in operation till the end of the design-based lifetime, Units 1 and 3 being in operation for 19 years each, Units 2 and 4 even less. The last operating unit, Unit 3, was permanently shutdown on December 15 2000, however the main obstacle to complete a complex technological and radiological survey was spent fuel left in reactor pools and in the core due to lack of capacity in the existing interim spent fuel storage of wet type (ISF-1). So removal of spent fuel from the core and reactor pools was considered as one of the priority tasks. While construction of ISF-2 (of dry type) was delayed due to different reasons, safety reassessment and modernization of ISF-1 enabled capacity increase and transfer of all non-damaged fuel assemblies into ISF-1. Thus Chernobyl NPP Units were fully vacated from spent fuel. Since that Chernobyl NPP Units are considered as the radioactive waste facility. Dismantlement of Units 1,2 turbine hall equipment is on the way and some progress is achieved in technical solution for fragmentation of long-size equipment. All dismantled equipment after decontamination and characterization is either released from regulatory control or disposed as solid radioactive waste. The details are discussed in the paper. Eventually the comprehensive technological and radiological survey of Chernobyl NPP Units had been completed and detailed decommissioning programme had been endorsed. The decommissioning strategy chosen for the Chernobyl NPP is based on the deferred dismantlement approach, so final dismantlement of all equipment and constructions is supposed after some period of decay storage. However, the issue of the final state of the site and its further use is still open. The main reason for it is the lack of clear picture as for the destroyed Unit 4, as technical solutions concerning its highly damaged and contaminated constructions and so called fuel containing masses (FCM) are not available yet. It could be reasonably predicted also that the internal part of the so called exclusion zone will not be released into non-restricted use in near future due to characteristics of its contamination. Possible implications of these and other factors on further decommissioning activities and some approaches to find solutions are discussed in the paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Position-Dependency of Fuel Assembly Homogenization in a Pressurized Water Reactor

2-step nuclear reactor core analysis has long been established as the conventional calculational procedure for the pressurized water reactor (PWR) due to its efficiency. This is because the procedure significantly avoids the potentially huge computational burden arising from an explicit geometrical modeling and consideration of over ∼ 500 energy groups. It instead approaches the problem with spatial homogenization and group condensation: a 2-D lattice transport calculation to homogenize the fuel assembly cross-sections and a 3-D whole core nodal diffusion. One notes that the few-group constant generation using deterministic method could be complicated due to its limited flexibilities in geometrical modeling and inherent drawbacks of the multi-group approximation. Furthermore, accuracy of the deterministic few-group constant generation can especially be compromised during the resonance treatment calculation. As such, an alternative lattice calculation using the Monte Carlo (MC) approach, in place of the deterministic fuel assembly homogenization (few-group constant generation), has previously been proposed. During the assembly homogenization, directions and magnitudes of the current at boundaries are unknowns. Therefore, zero net current boundary conditions (infinite lattice) are instead used as the assembly node. The assumption is quite reasonable considering heterogeneities inside the node are more dominant than heterogeneities due to nodal location in the core. In fact, this approximation has successfully been applied to many LWR core analyses to reasonable accuracy. It should nonetheless be noted that the net current zero boundary assumption effectively ignores position-dependency of the fuel assembly homogenization in the general 2-step method. As such, there are a number of well-known researches on the extended assembly homogenization techniques, which introduce correction factors to compensate effects of the assembly environment, such as Generalized Equivalence Theory (GET), Super-homogenization method (SPH), and color set calculation method. Even though the assembly environment effect has long been acknowledged, its effect has not properly been investigated due to the limited computing power in the past and due to the reasonable accuracy of the extended assembly homogenization techniques. Nonetheless, quantification of position-dependency of the assembly homogenization in the core could still potentially offer additional value in terms of calculation accuracy to the 2-step reactor analysis. It is upon this motivation that the paper is prepared. In this research, position-dependent few-group constants were calculated and compared against those of infinite lattices. All calculations were completed using the MC Serpent2 code with ENDF/B7.0 nuclear data library. In this study, position-dependency of the fuel assembly homogenized cross sections in a PWR core has been investigated through comparison of the conventional 2-step reactor analysis with the reference high fidelity Monte Carlo simulation. It was found that the homogenized two-group constants are clearly position-dependent as the discrepancies between infinite lattice and whole-core calculations are quite significant especially in a rodded assembly. As such, the corresponding correction required due to the assembly environment effect is not negligible compared to the correction required due to assembly heterogeneity itself. It is therefore quite clear that position-dependency of the group cross sections should be considered in the 2-step procedure for a more accurate PWR core analysis. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

An Introduction to the FCRD Transmutation Fuels Handbook 2015

Transmutation of minor actinides such as Np, Am, and Cm in spent nuclear fuel is of international interest because of its potential for reducing the long-term health and safety hazards caused by the radioactivity of the spent fuel. For this reason, the DOE Fuel Cycle Research and Development (FCRD) Advanced Fuels Campaign (AFC) has been performing research on nuclear fuel technologies that could be used in conjunction with a future actinide transmutation mission. One important approach to transmutation involves incorporating the minor actinides into U-Pu-Zr alloys, which can be used as fuel in fast reactors. It is, therefore, important to understand the properties of U-Pu-Zr alloys. The Idaho National Laboratory has recently published a handbook intended to summarize key properties of these alloys for researchers. This handbook focuses on phases and key thermophysical properties of elements and alloys in the U-Pu-Zr system. It is envisioned as the first of a series, which will serve as a summary of current knowledge about important properties of transmutation fuels. Future volumes will include information about properties and materials not covered in the first edition, as well as updates to information in this edition of the handbook. The handbook is intended to serve two audiences. One audience is researchers, who may find it useful to know what has been measured, where it has been published, and what kinds of information are needed. A second audience is modelers, who need a concise summary of information about specific properties and the accuracy with which they are known. The two audiences have different needs, and the handbook is a compromise intended to be useful to both. Therefore, it includes summaries of research results and needs, but generally does not present the original data. It also includes numerous graphs and, where available, equations that provide convenient approximations to materials properties for modelers. It is important to understand that most of the equations provided in this handbook are derived by fitting polynomials to data and have no physical basis; while they can be used with caution for design studies, fuel modelers will probably want to use the original experimental data to develop or validate their own equations and/or models. Although the handbook includes some citations to research involving development of models, its primary focus is experimental data. Many of the measurements of the U-Pu-Zr system were made before 1980. Where possible, the handbook relies on previous reviews of experimental data rather than presenting new interpretations of the old information. It is expected that researchers will refer to the original literature for details that are not presented in the handbook. Metals and alloys in the U-Pu-Zr system are uniquely difficult to study for a number of reasons. Experimental designs may need to be modified to allow researchers to work with these hazardous materials safely. Kinetics of phase transformations are commonly sluggish, and it is highly unlikely that all of the samples in previous research had equilibrium phases and microstructures. Thermal cycling effects (changes in sample characteristics that are not fully reversed during cooling) are commonly reported and may be significant. Careful control of impurities (particularly oxygen) during sample fabrication and data collection is both crucial and difficult, and concentrations below 100 ppm in samples may significantly affect thermophysical properties. For all of these reasons, differences between measured values for similar alloys are commonly far larger than the estimated errors for individual measurements. Further research on well-characterized materials with careful control of impurities is needed for all of the alloys discussed here. The 2015 FCRD Handbook summarizes currently available information about U, Pu, Zr, and their binary and ternary alloys. It contains information about phase diagrams and related information (including phases and phase transformations); heat capacity, entropy, and enthalpy; thermal expansion; and thermal conductivity and diffusivity. In addition to presenting information about materials properties, it attempts to provide information about how well the property is known and how much variation exists between measurements. Although the handbook includes some references to publications about modeling, its primary focus is experimental data. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Stakeholder-Engaged Structured Decision Making for the Los Alamos Legacy Cleanup Mission - 20501

The Los Alamos National Laboratory (LANL) environmental legacy cleanup program requires decisions to be made for environmental remediation, decommissioning and disposal or management of radioactive waste. This legacy cleanup program was established to address groundwater contamination, material disposal areas (MDAs) that have been used to dispose of radioactive and other waste material, and 'aggregate areas' that might produce radioactive or other chemical waste as a result of remediation activities. The LANL site is regulated for environmental concerns under the Resource Conservation and Recovery Act (RCRA). However, some parts of LANL, such as material disposal area G (MDA G), have disposed of radioactive waste under DOE Order 435.1, and are subject to other regulations. For example, decommissioning the remote-handled TRU material stored in 33 shafts at MDA G falls under EPA's 40 CFR 191. Collectively, the regulations are all aimed in the same direction of finding the best solution, either through constructs such as 'as low as reasonably achievable' (ALARA), considering balancing factors as opposed to only cost and human health risk, and, under EPA regulations such as RCRA and NEPA, evaluating impact from all chemicals and both human health and ecological endpoints. Despite the basic goals and objectives of the regulations or their guidance, the main challenge is in their implementation. Arguably perhaps, but really in principle, all of these (and similar) regulations are asking for a decision analysis to be performed. Implementation challenges encountered have included lack of understanding of decision analysis in the industry, lack of effective stakeholder engagement in the decision analysis process, and lack of appreciation of the need to separate value judgments from science, the latter leading to developing conservative, or protective, science-based models. Conservative models lead to poor solutions, lack of effective stakeholder engagement leads to long drawn out protracted approaches to finding a solution (which also might never be found with this approach), and lack of understanding of decision analysis and Bayesian statistics causes poor models to be built, which creates unfortunate situations of 'garbage in, garbage out' becoming the basis for decision making. Stakeholder-engaged structured decision making (SDM) is an approach to solving problems that relies on the theory of decision science to involve stakeholders in the decision-making process. This approach incorporates stakeholder values using a scientifically rigorous methodology that separates value judgments from science in a way that helps avoid the pitfalls of biased, protective, or conservative modeling. This approach has its foundation in Keeney's 1992 treatise on value-focused thinking [1]. Keeney advocated a paradigm shift in decision making based on the idea that the standard way of thinking about decisions is backwards. The standard approach of focusing first on identifying alternatives rather than on articulating values results in a reactive approach with the emphasis on mechanics and fixed choices instead of the core values that have meaning to stakeholders. This paradigm shift effectively engages all stakeholders in the decision-making process while using a values focused thinking approach that can lead to the identification of decision opportunities and the creation of better alternatives. The intent is to be proactive and generate solutions that are related directly to values and objectives as identified by stakeholders. There are, perhaps, two overarching reasons why SDM can be used to benefit LANL's environmental legacy cleanup. Some of LANL's remaining waste management and environmental management problems are challenging and complex (for example, the Cr and RDX plumes, and MDAs) and while the traditional approach has, arguably, worked well for relatively simple risk-based problems, it cannot, or should not, be applied to more complex problems if the most effective and efficient solutions are desired. The second reason is cost. This has perhaps become more critical since publication of the Government Accountability Office (GAO) reports that DoE's environmental liability is considered a high-risk concern for the nation [2]. The focus of SDM is on structuring solutions to decision risk problems by first addressing stakeholder and decision maker values and subsequently developing decision objectives and ways to measure those objectives, preference weighting across objectives, identifying decision alternatives that best achieve those values, and characterizing uncertainty in predictions of the measures. Because a complete decision model is created using SDM, it can be evaluated to find the main elements of the model that drive, or predict, the best solution. This approach creates complete decision models that are transparent, traceable, reproducible and technically defensible. The science behind SDM, or decision analysis, is well founded, yet it is not unusual to see ad hoc approaches to decision making implemented under various environmental regulations that are pertinent to the LANL site, including NEPA, RCRA and DOE Order 435.1. Such ad hoc approaches are often not transparent or traceable, and lack reproducibility and technical defensibility. The LANL legacy cleanup program has embarked on using SDM to address the complex problems that remain. Stakeholder meetings have been held, and a prototype version of the stakeholder value system has been developed. Further meetings are expected in the future to address specific project needs. This is a long-term endeavor considering the complex environmental problems faced by DOE EM in Los Alamos (EM-LA), and careful planning, consideration of stakeholder value systems, and engagement with stakeholders throughout the SDM process is expected to lead to a successful endpoint. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Implementation of new PRODIAG algorithm and simulation-based acceptance test - 219

This paper presents the improvement of an automated-reasoning computer program for nuclear power plant diagnosis, namely PRODIAG. PRODIAG, first developed at the Argonne National Laboratory, uses confluence-based reasoning to perform fault diagnosis in engineering systems that can be described by the conservation laws for mass, energy, and momentum. Therefore, unlike other plant configuration-dependent rule-based diagnosis algorithms, the code is generally applicable to a wide variety of plant configurations by simply replacing the plant instrumentation diagram (PID) database. The need for improvement was raised when the original PRODIAG failed to provide the requisite degree of extensibility and maintainability for new applications. These shortcomings have been addressed through a new code architecture that uses an objected-oriented logic-programming language in place of the original Prolog language and uses an open-source automated reasoning engine in place of the original hardwired rule-evaluation sequence. This paper presents the architecture and implementation details of the code transition. Verification and validation studies were performed for the new PRODIAG, which involved re-running the distinct fault cases defined at the time the code was originally developed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

SymPLe 1131: A novel architectural solution for the realization of verifiable digital I and C systems and embedded digital devices - 387

One of the main reasons for the increasing popularity of FPGAs in embedded systems and digital I and C systems is that they provide many of the advantages from both hardware and software components. FPGAs provide configurability approaching that of SW, while at the same time delivering deterministic behavior of pure hardware solutions. However, with regard to Software Common Cause Failures (CCF), the use of FPGAs in digital I and C platforms should not be seen as plug-in remedy for reduction or elimination of CCF. To address CCF, we argue that it is not enough to manage the complexity of an I and C device or system, but we must also have the ability to constrain complexity (as needed) and rigorously reason about execution and device functionality. This paper presents the work done regarding an FPGA overlay architecture called SymPLe. SymPLe is designed to reduce the gap between software and hardware approaches for digital I and C systems and increases deterministic behavior and verifiability of the application, architecture and safety-critical system while reasoning about CCF. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

The application of ALARP to legacy residues recovery processes on the Springfields site in the United Kingdom - 14333

In the United Kingdom, the legal framework for nuclear safety is established principally through the Health and Safety at Work Act 1974 (HSAW74) and the Nuclear Installations Act 1965 (NIA 65). Under HSAW74, employers are responsible for reducing risks, so far as is reasonably practicable, to their workers and others (including the public). This responsibility is elaborated further in relation to nuclear sites by NIA65, which establishes a nuclear site licensing regime whereby Nuclear Site Licenses are granted and subsequently regulated by the Office for Nuclear Regulation (ONR) within the Health and Safety Executive (HSE). In essence, ensuring that a risk has been reduced to 'As Low As Reasonably Practicable' (ALARP) is about weighing-up the risk against the sacrifice needed to reduce it. To avoid having to make this sacrifice, the Nuclear Site License holder (the Site Licensee) must be able to show that it would be grossly disproportionate to the benefits of risk reduction that would be achieved. Using 'reasonably practicable' allows the ONR to set goals for the Site Licensee, rather than being prescriptive. This flexibility can be a great advantage in that it allows the Site Licensee to consider a variety of options, and hence supports innovative approaches. However, it has drawbacks in that it requires both the Site Licensee and the regulators to exercise judgement; in reality, many decisions about risks and the measures that achieve ALARP are not straight-forward. Fortunately, various resources are available to the Site Licensee to aid these decisions. Three key facilities on the Westinghouse, Springfields Fuels Limited site at Preston in the UK (including the National Nuclear Laboratory's Preston Laboratory) undertake the clean-up of legacy residues from both fuel manufacturing operations on the site itself (dating back well over fifty years) and the wider nuclear industry. This paper discusses the key features of these three facilities to illustrate how ALARP considerations have shaped the operating regimes and associated criticality controls in those areas. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

ROBOT: A Tool for Automating Ontology Workflows

BACKGROUND:Ontologies are invaluable in the life sciences, but building and maintaining ontologies often requires a challenging number of distinct tasks such as running automated reasoners and quality control checks, extracting dependencies and application-specific subsets, generating standard reports, and generating release files in multiple formats. Similar to more general software development, automation is the key to executing and managing these tasks effectively and to releasing more robust products in standard forms. For ontologies using the Web Ontology Language (OWL), the OWL API Java library is the foundation for a range of software tools, including the Protégé ontology editor. In the Open Biological and Biomedical Ontologies (OBO) community, we recognized the need to package a wide range of low-level OWL API functionality into a library of common higher-level operations and to make those operations available as a command-line tool. RESULTS:ROBOT (a recursive acronym for "ROBOT is an OBO Tool") is an open source library and command-line tool for automating ontology development tasks. The library can be called from any programming language that runs on the Java Virtual Machine (JVM). Most usage is through the command-line tool, which runs on macOS, Linux, and Windows. ROBOT provides ontology processing commands for a variety of tasks, including commands for converting formats, running a reasoner, creating import modules, running reports, and various other tasks. These commands can be combined into larger workflows using a separate task execution system such as GNU Make, and workflows can be automatically executed within continuous integration systems. CONCLUSIONS:ROBOT supports automation of a wide range of ontology development tasks, focusing on OBO conventions. It packages common high-level ontology development functionality into a convenient library, and makes it easy to configure, combine, and execute individual tasks in comprehensive, automated workflows. This helps ontology developers to efficiently create, maintain, and release high-quality ontologies, so that they can spend more time focusing on development tasks. It also helps guarantee that released ontologies are free of certain types of logical errors and conform to standard quality control checks, increasing the overall robustness and efficiency of the ontology development lifecycle.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS2013

Smarter Earth Science Data System

The explosive growth in Earth observational data in the recent decade demands a better method of interoperability across heterogeneous systems. The Earth science data system community has mastered the art in storing large volume of observational data, but it is still unclear how this traditional method scale over time as we are entering the age of Big Data. Indexed search solutions such as Apache Solr (Smiley and Pugh, 2011) provides fast, scalable search via keyword or phases without any reasoning or inference. The modern search solutions such as Googles Knowledge Graph (Singhal, 2012) and Microsoft Bing, all utilize semantic reasoning to improve its accuracy in searches. The Earth science user community is demanding for an intelligent solution to help them finding the right data for their researches. The Ontological System for Context Artifacts and Resources (OSCAR) (Huang et al., 2012), was created in response to the DARPA Adaptive Vehicle Make (AVM) programs need for an intelligent context models management system to empower its terrain simulation subsystem. The core component of OSCAR is the Environmental Context Ontology (ECO) is built using the Semantic Web for Earth and Environmental Terminology (SWEET) (Raskin and Pan, 2005). This paper presents the current data archival methodology within a NASA Earth science data centers and discuss using semantic web to improve the way we capture and serve data to our users.

data center↗
DOE OSTI2016

On the relationships among cloud cover, mixed‐phase partitioning, and planetary albedo in GCMs

Abstract In this study, it is shown that CMIP5 global climate models (GCMs) that convert supercooled water to ice at relatively warm temperatures tend to have a greater mean‐state cloud fraction and more negative cloud feedback in the middle and high latitude Southern Hemisphere. We investigate possible reasons for these relationships by analyzing the mixed‐phase parameterizations in 26 GCMs. The atmospheric temperature where ice and liquid are equally prevalent (T5050) is used to characterize the mixed‐phase parameterization in each GCM. Liquid clouds have a higher albedo than ice clouds, so, all else being equal, models with more supercooled liquid water would also have a higher planetary albedo. The lower cloud fraction in these models compensates the higher cloud reflectivity and results in clouds that reflect shortwave radiation (SW) in reasonable agreement with observations, but gives clouds that are too bright and too few. The temperature at which supercooled liquid can remain unfrozen is strongly anti‐correlated with cloud fraction in the climate mean state across the model ensemble, but we know of no robust physical mechanism to explain this behavior, especially because this anti‐correlation extends through the subtropics. A set of perturbed physics simulations with the Community Atmospheric Model Version 4 (CAM4) shows that, if its temperature‐dependent phase partitioning is varied and the critical relative humidity for cloud formation in each model run is also tuned to bring reflected SW into agreement with observations, then cloud fraction increases and liquid water path (LWP) decreases with T5050, as in the CMIP5 ensemble.

58 GEOSCIENCES↗
DOE OSTI2017

The Diurnal Cycle of Clouds and Precipitation at the ARM SGP Site: An Atmospheric State-Based Analysis and Error Decomposition of a Multiscale Modeling Framework Simulation

Long–term reflectivity data collected by a millimeter cloud radar at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site are used to examine the diurnal cycle of clouds and precipitation and are compared with the diurnal cycle simulated by a Multiscale Modeling Framework (MMF) climate model. The study uses a set of atmospheric states that were created specifically for the SGP and for the purpose of investigating under what synoptic conditions models compare well with observations on a statistical basis (rather than using case studies or seasonal or longer time scale averaging). Differences in the annual mean diurnal cycle between observations and the MMF are decomposed into differences due to the relative frequency of states, the daily mean vertical profile of hydrometeor occurrence, and the (normalized) diurnal variation of hydrometeors in each state. Here the hydrometeors are classified as cloud or precipitation based solely on the reflectivity observed by a millimeter radar or generated by a radar simulator. The results show that the MMF does not capture the diurnal variation of low clouds well in any of the states but does a reasonable job capturing the diurnal variations of high clouds and precipitation in some states. In particular, the diurnal variations in states that occur during summer are reasonably captured by the MMF, while the diurnal variations in states that occur during the transition seasons (spring and fall) are not well captured. Overall, the errors in the annual composite are due primarily to errors in the daily mean of hydrometeor occurrence (rather than diurnal variations), but errors in the state frequency (that is, the distribution of weather states in the model) also play a significant role.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

An electronic-structure-centered perspective is presented on permanent-magnet (PM) design, highlighting two key levers, that is, saturation magnetization (M s ), governed by 3d-band filling and exchange physics, and magnetocrystalline anisotropy energy (MAE), arising from spin-orbit coupling (SOC) on anisotropic orbital populations. Reviewing current practices, including DFT-based MAE/J ij extraction, atomistic-spin and micromagnetic modeling, and high-throughput machine learning (ML) pipelines, three bottlenecks limiting predictive discovery is identified that is i) electronic-structure accuracy for small MAE (sensitive to functional choice, Hubbard U, and many-body effects), ii) finite-temperature and kinetic realism (phonon/magnon renormalization, ordering kinetics), and iii) descriptor and multiscale decoupling (lack of SOC-weighted and orbital-resolved fingerprints). Deep dives into the electronic-structure of Nd─Fe─B and Fe─N show how these fingerprints govern magnetic performance, motivating DFT- and quantum-mechanics-based descriptors for discovery. Unbiased, structure-driven exploration, coupled with high-throughput simulations, ML, generative AI, and reasoning models, accelerates candidate identification and propagates insights across scales. Addressing supply-chain risks, on future needs of designing “critical-element-free” magnets with tailored microstructure and high energy products is emphasized. By integrating electronic fingerprints, AI reasoning, and multiscale modeling, a practical roadmap is provided for rare-earth-lean or rare-earth free, high-performance, sustainable PMs.

Singh, Prashant [Ames Laboratory, and Iowa State U↗
DOE OSTI2019

PGM-free Cathode Catalysts for PEM Fuel Cells: a Mini-Review on Stability Challenges

In recent years, significant progress has been achieved in the development of platinum group metal-free (PGM-free) oxygen reduction reaction (ORR) catalysts for proton exchange membrane (PEM) fuel cells. At the same time the limited durability of these catalysts remains a great challenge that needs to be addressed. In this mini-review, we summarize the recent progress in understanding the main causes of instability of PGM-free ORR catalysts in acidic environments, focusing on transition metal/nitrogen co-doped systems (M-N-C catalysts, M: Fe, Co, Mn). Of several possible degradation mechanisms, demetalation and carbon oxidation are found to be the most likely reasons for M-N-C catalysts/cathodes degradation.

Shao, Yuyan↗
DOE OSTI2020

A Low-Cost Durable Na-FeCl2 Battery with Ultrahigh Rate Capability

Na-based batteries have long been regarded as an inexpensive, sustainable candidate for large-scale stationary energy storage applications. Unfortunately, the market penetration of conventional Na-NiCl2 batteries is approaching its limit for several reasons, including limited rate capability and high Ni cost. Herein, a Na-FeCl2 battery operating at 190 °C is reported that allows a capacity output of 116 mAh g-1 at an extremely high current density of 33.3 mA cm-2 (˜0.6C). The superior rate performance is rooted in the intrinsically fast kinetics of the Fe/Fe2+ redox reaction. Furthermore, it is demonstrated that a small amount of Ni additive (10 mol%) effectively mitigates capacity fading of the Fe/NaCl cathode caused by Fe particle pulverization during long-term cycling. The modified Fe/Ni cathode exhibits excellent cycling stability, maintaining a discharge energy density of over 295 Wh kg-1 for 200 cycles at 10 mA cm-2 (˜C/5).

Zhan, Xiaowen↗
DOE OSTI2018

Hunting ionic liquids with large electrochemical potential windows

Ionic liquids (ILs) with large electrochemical potential windows (EPWs) are ideally suited to improve the energy and power density of electrical devices for energy storage. However, guidelines are scarcely available for the selection or systematic screening of ILs for practical applications. Here, we present theoretical predictions for the EPW of thousands of cation-anion pairs based on a long-range corrected hybrid density functional theory. The cathodic and anodic potential limits were estimated from the highest occupied molecular orbital and lowest unoccupied molecular orbital energies of individual cations and anions. The approximate method predicts EPWs in reasonable agreement with existing experimental data for several commonly used ionic systems and can be used as a screening tool for a large library of ILs. Five most stable anions, with the cathode stability in the order of B[CN] 4 > PF 6 > BF 4 > BOB > NTf 2 , have been identified. These anions provide the largest EPWs when they are paired with conventional organic cations. The cation stability is reduced upon elongation of the alkyl chain length or branching of the molecular backbone.

catalysis (heterogeneous)↗