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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Summary of Technical Peer Review on the Risk Assessment Framework proposed in Report INL/RPT-22-68656 for Digital Instrumentation and Control Systems

This report summarizes the peer review activities initiated by Idaho National Laboratory (INL) during fiscal year (FY) 2023 for the evaluation and improvement of the methodology developed under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) risk assessment project. In FY 2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a technical basis to support effective and secure DI&C technologies for digital upgrades/designs. A framework was proposed for this strategy, which aims to (1) provide a best-estimate, risk-informed capability to quantitatively and accurately estimate the risk impact of plant modernization, considering the introduction of high safety-significant safety-related (HSSSR) DI&C systems, (2) support and supplement existing risk-informed DI&C design guides by providing quantitative risk information and evidence, (3) offer a capability of design architecture evaluation of various DI&C systems, (4) assure the long-term safety and reliability of HSSSR DI&C systems, and (5) reduce uncertainty in costs and support integration of DI&C systems in the plant. The R&D efforts of this project from FY 2019 through FY 2022 were focused on methodology improvement and demonstration of the proposed framework for the risk assessment and design optimization of safety-critical DI&C systems. Collaborations with the nuclear industry have been initiated to support the reliability and risk assessment of their DI&C systems by using the proposed framework. In FY 2023, the framework has reached to a point for a technical peer review and obtain stakeholder feedback. This peer review activity includes coordination of the reviews performed by a group of industry stakeholders, documentation of the peer review suggestions, providing resolutions and responses to the peer review comments. The objective of this technical peer review is to obtain representative feedback on the proposed framework to improve the technical qualities of its methodology and readiness for deployment to the industry. Feedback may identify potential areas for improvement and further development. The Subject Matter experts were invited to review the latest project report documenting the methodology developed in the project and provide evaluations of the technical qualities of the proposed framework and relevant methods. The reviewed project report is “An Integrated Framework for Risk Assessment of High Safety-significant Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology and Demonstration” INL/RPT-22-68656 (short as “INL/RPT-22-68656” in this report). This peer review report documents the technical questions provided for technical peer review and introduces the technical peer reviewers from the stakeholders including nuclear utilities, regulators, and universities. Comments from technical peer reviewers and the resolutions and responses to these comments are outlined. Insights and lessons learned from the technical peer review are summarized in conclusions and future work. The primary audience of this report are DI&C designers, engineers, and probabilistic risk assessment (PRA) practitioners. This includes stakeholders, such as the nuclear utilities and regulators who consider the deployment and upgrade of DI&C systems, DI&C software developers and reviewers, and cybersecurity specialists.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1990

Erosive Augmentation of Solid Propellant Burning Rate: Motor Size Scaling Effect

Two different independent variable forms, a difference form and a ratio form, were investigated for correlating the normalized magnitude of the measured erosive burning rate augmentation above the threshold in terms of the amount that the driving parameter (mass flux or Reynolds number) exceeds the threshold value for erosive augmentation at the test condition. The latter was calculated from the previously determined threshold correlation. Either variable form provided a correlation for each of the two motor size data bases individually. However, the data showed a motor size effect, supporting the general observation that the magnitude of erosive burning rate augmentation is reduced for larger rocket motors. For both independent variable forms, the required motor size scaling was attained by including the motor port radius raised to a power in the independent parameter. A boundary layer theory analysis confirmed the experimental finding, but showed that the magnitude of the scale effect is itself dependent upon scale, tending to diminish with increasing motor size.

Strand, L. D.↗
NASA NTRS1987

TOMS and the NOAA/FAA volcano support plan

A plan to detect volcanic ash clouds that are aircraft hazards is discussed. The plan utilizes NOAA satellite data and trajectory analysis. Because current operational satellite sensors cannot unambiguously distinguish volcanic eruptions from meteorological clouds, the plan is designed to react to known eruptions rather than detect eruptions. However, the Total Ozone Mapping Spectrometer (TOMS) instrument has been used to detect sulfur dioxide clouds from volcanic eruptions regardless of cloudiness. If TOMS was flown on an operational NOAA satellite, NOAA would have an automated volcanic eruption detection system which could more effectively support the Federal Aviation Administration.

Matson, Michael↗
DOE OSTI2026

Satellite Embedding-Based Population Imputation for Areas with Missing Building Footprint Data: A Computer Vision-Based Approach

High-resolution population modeling is important for supporting effective decision-making across diverse sectors. LandScan Mosaic generates population estimates at the level of individual buildings and aggregates them to 3 arc-second grids, and this approach performs well in regions where building footprint data are comprehensive and reliable. However, large portions of the globe still suffer from incomplete, sparse, or entirely missing building stock datasets, creating a structural limitation for strictly building-based population models. To address this research gap, this study proposes a computer vision-based framework that employs Google Earth Engine satellite embeddings and UNet, which allows us to directly impute grid-level population estimates in building-data-deficient areas. Applied to Taiwan as a case study, the framework achieved strong predictive performance with R$^{2}$ of 0.89, RMSE of 18.70, and MAE of 8.41, outperforming traditional machine learning approaches. Notably, the proposed framework effectively addressed building false-positive errors inherent in Global Human Settlement Layer (GHSL) data, correctly identifying uninhabited areas that were erroneously classified as populated. The framework also offers significant advantages for global population mapping, particularly in terms of scalability and temporal consistency, thereby extending the coverage and accuracy of high-resolution population products in data-scarce regions worldwide. Urban planners, decision makers, and related stakeholders can obtain granular population distributions to support more accurate and targeted infrastructure investment, service delivery, resource allocation, and risk assessment decisions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

ISS Remote User Payload Operations Training and Support

For more than ten years hundreds of payloads have been, and are currently being, successfully operated onboard the ISS. These payloads are operated by a diverse set of users all over the world. Due to the current international economic environment payload operations are being streamlined, in more and more cases, by using the payload investigators and scientists to also fill the role of operators. Taking this into consideration, increasingly, we have payload operators that are new to space operations and practices, therefore ground systems training and support have become a more critical aspect in ensuring a successful payload mission. The ISS ground systems payload interface is the Payload Operations and Integration Center (POIC), located at Marshall Space Flight Center. ISS ground systems training for all remote ISS payload operators, as well as the ISS POIC CADRE, are centralized at this facility. The POIC is the starting point for a remote payload operator to learn how to integrate, and operate their payload, successfully onboard the ISS. Additionally, the CADRE that supports the payload user community are trained and operate from this facility. This paper will give an overview of the ISS ground systems at the POIC, as it relates to the payload user/operator and CADRE community. The entire training process from initial contact with the POIC to in-flight operations will be reviewed and improvements to this process will be presented. More importantly we will present current training methods and proposed methodology whereby the user community will be trained more efficiently and thoroughly. Also, we will discuss how we can more effectively support users in their operations concept to programmatically conduct certain aspects of payload operations to reduce costs.

Roth, Karl↗
NASA NTRS2004

The Center Master Plan For NASA Glenn Research Center

The Center Master Plan for NASA Glenn Research Center is a comprehensive survey of NASA Glenn's current facility assets and a vision of how we see the facilities will change over the next 20 years in order to support the changing NASA Mission. This Center Master Plan is a vital management tool used by all organizations for making near term decisions and in future planning. During the summer of 2004, I worked with Joseph Morris, the Chief Architect in the Facilities Division, on beginning this Center Master Planning Process. The previous Master Plan was completed by the Center in 1985 and contained general information on the background of the facility as well as maps detailing environmental and historic records, land use, utilities, etc. The new Master Plan is required for the Center by NASA headquarters and will include similar types of information as used in the past. The new study will provide additional features including showing how individual buildings are linked to the programs and missions that they serve. The Master Plan will show practical future options for the facility s assets with a twenty year look ahead. The Plan will be electronically retrievable so that it becomes a communications tool for Center personnel. A Center Master Plan, although required, is very beneficial to NASA Glenn Research Center in aiding management with the future direction of the campus. Keeping up-to-date information and future plans readily available to all of NASA Glenn will insure that future real property development efficiently and effectively supports the missions camed out and supported by the Center. A Center Master Plan will also facilitate coordination with Center supported programs, stakeholders, and customers. In addition, it will provide a basis for cooperative planning with local and other governmental organizations and ultimately ensure that future budgets include the Center program needs described in the plan. This will ensure that development plans are safe, practical, and cost effective. To properly formulate any future plans, background information and research are required. Before bringing in a consultant to tackle the three year process anticipated to prepare a Center Master Plan, my job was to gather information on different organizations contributions to the NASA mission, their facility needs, consistent trends they observe, etc. I conducted numerous interviews with personnel such as Directorate Representatives, Division Chiefs, Branch Chiefs, System Managers and Building Managers. I documented the information I received from them for future use. I used the information to create various color-coded maps layering the different data. This was done with the ending objective being to collect the information and place it in a database that will be linked with Aperture (a computer program that generates color-coded map layers from database information) and made electronically retrievable to the Planning Consultant, NASA personnel, program stakeholders, and other governmental agencies. My goal this summer was to gather information and ideas appropriate for use in NASA Glenn Research Center s Master Plan and organize them for future application by the Planning Consultant. By the end of the summer, after completion of my goal, I will utilize my knowledge and create an array of preliminary future plans for the facility that can be passed along as a guidance tool.

Bigach, Kristin M.↗
NASA NTRS1950

An Analysis of the Autorotative Performance of a Helicopter Powered by Rotor-Tip Jet Units

The autorotative performance of an assumed helicopter was studied to determine the effect of inoperative jet units located at the rotor-blade tip on the helicopter rate of descent. For a representative ramjet design, the effect of the jet drag is to increase the minimum rate of descent of the helicopter from about 1,OO feet per minute to 3,700 feet per minute when the rotor is operating at a tip speed of approximately 600 feet per second. The effect is less if the rotor operates at lower tip speeds, but the rotor kinetic energy and the stall margin available for the landing maneuver are then reduced. Power-off rates of descent of pulse-jet helicopters would be expected to be less than those of ramjet. helicopters because pulse jets of current design appear to have greater ratios of net power-on thrust to power-off, drag than currently designed rain jets. Iii order to obtain greater accuracy in studies of autorotative performance, calculations in'volving high power-off rates of descent should include the weight-supporting effect of the fuselage parasite-drag force and the fact that the rotor thrust does not equal the weight of the helicopter.

AUTOROTATION↗
NASA NTRS2008

Use of a Lunar Outpost for Developing Space Settlement Technologies

The type of polar lunar outpost being considered in the NASA Vision for Space Exploration (VSE) can effectively support the development of technologies that will not only significantly enhance lunar exploration, but also enable long term crewed space missions, including space settlement. The critical technologies are: artificial gravity, radiation protection, Closed Ecological Life Support Systems (CELSS) and In-Situ Resource Utilization (ISRU). These enhance lunar exploration by extending the time an astronaut can remain on the moon and reducing the need for supplies from Earth, and they seem required for space settlement. A polar lunar outpost provides a location to perform the research and testing required to develop these technologies, as well as to determine if there are viable countermeasures that can reduce the need for Earth-surface-equivalent gravity and radiation protection on long human space missions. The types of spinning space vehicles or stations envisioned to provide artificial gravity can be implemented and tested on the lunar surface, where they can create any level of effective gravity above the ~1/6 Earth gravity that naturally exists on the lunar surface. Likewise, varying degrees of radiation protection can provide a natural radiation environment on the lunar surface less than or equal to ~1/2 that of open space at 1 AU. Lunar ISRU has the potential of providing most of the material needed for radiation protection, the centrifuge that provides artificial gravity; and the atmosphere, water and soil for a CELSS. Lunar ISRU both saves the cost of transporting these materials from Earth and helps define the requirements for ISRU on other planetary bodies. Biosphere II provides a reference point for estimating what is required for an initial habitat with a CELSS. Previous studies provide initial estimates of what would be required to provide such a lunar habitat with the gravity and radiation environment of the Earth s surface. While much preparatory work can be accomplished with existing capabilities such as the ISS, the full implementation of a lunar habitat with an Earth-like environment will require the development of a lunar mission architecture that goes beyond VSE concepts. The proven knowledge of how to build such a lunar habitat can then be applied to various approaches for space settlement.

Purves, Lloyd R.↗
DOE OSTI2020

High-loading single Pt atom sites [Pt-O(OH) x ] catalyze the CO PROX reaction with high activity and selectivity at mild conditions

The preferential oxidation of CO (PROX) in hydrogen-rich fuel gas streams is an attractive option to remove CO while effectively conserving energy and H 2 . However, high CO conversion with concomitant high selectivity to CO 2 but not H 2 O is challenging. Here, we report the synthesis of high-loading single Pt atom (2.0 weight %) catalysts with oxygen-bonded alkaline ions that stabilize the cationic Pt. The synthesis is performed in aqueous solution and achieves high Pt atom loadings in a single-step incipient wetness impregnation of alumina or silica. Promisingly, these catalysts have high CO PROX selectivity even at high CO conversion (~99.8% conversion, 70% selectivity at 110°C) and good stability under reaction conditions. These findings pave the way for the design of highly efficient single-atom catalysts, elucidate the role of –OH species in CO oxidation, and confirm the absence of a support effect for our case.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Method for Assessment of Security-Relevant Settings in Anomaly-Based Intrusion Detection for Industrial Control Systems

Ensuring the integrity of Ethernet-based networks is a challenging and constantly evolving domain. This problem is exacerbated for those operational technology (OT) networks supporting industrial control systems (ICS) since much of that equipment was originally designed to be on a network that was isolated and generally considered free of malefactors. Increasing pressure to bridge these systems with traditional information technology (IT) networks has introduced a bevy of new threats. In response, both academia and industry have responded with security solutions tailored to ICS environments. Deploying these protection systems often involves several configuration choices. While some of these choices are clear (e.g., block/enable protocol X) others are far more subjective (e.g. alert threshold == 3.43). Further complicating the situation, while often similar to IT networks, OT networks have unique challenges and characteristics that make the task of protecting them simultaneously more difficult and straight forward.Extant solutions for quantifying the relative security of intrusion detection systems fail to effectively support the operators of said systems with understanding the impact of various configuration changes. Further, they assume that the attacks are static and not subject to manipulation or alteration in the face of defenses. In this paper, we present a threat-based method for quantifying the relative impact of various security settings for intrusion detection systems (IDSs) within ICS environments. This method provides operational staff with a clear understanding of the relative impact of their settings and assumes that the attacks levied against them are dynamic. The model is described in detail, we apply the model to a synthetic data set, and discuss the inferences that can be made and what types of decisions they could be used to support.

Gillen, Rob↗
NASA NTRS1995

Technologies for Maintaining Animals in Space: Lighting, Air Quality, Noise, Food and Water

In the terrestrial environment multiple time cues exist. Zeitgebers have been identified and studied for their ability to convey temporal information to various physiological systems, In the microgravity experiment it is necessary to define time cues within the flight hardware prior to flight. During flight if changes in the Circadian System (e.g., mean, phase angle, period) occur this would indicate that the gravity vector is important relative to biological timing. This presentation is concerned with the environmental parameters to support rodent experiments in microgravity. The Animal Enclosure Module (AEM) provides solid food bars and water via lixits ad libitum. Flight animals (Sprague-Dawley rats, 60 - 300g) when compared to ground controls show similar growth (mean growth per day, g +/- SD; flight 5.4 +/- 2.0, ground 5.9 +/- 2.1). Current AEMs use incandescent lighting (approx. 5 Lux). Light emitting diode (LED) arrays are being developed that provide a similar light environment as cool-white fluorescent sources (40 Lux). In ground based tests (12L:12D), these arrays show normal circadian entrainment (Tau = 24.0) with respect to the behavioral responses. measured (drinking, eating, gross locomotor activity). A newly developed ultra high efficiency filter system can entrap all feces, urine and odors from 6 rats for 24 days. Maximum sound level exposure limits (per octave band 22 Hz - 179 kHz) have been established. The AEM will effectively support animal experiments in microgravity.

Winget, C. M.↗
DOE OSTI2021

Resilience-based Recovery Scheduling of Transportation Network in Mixed Traffic Environment: A Deep-Ensemble-Assisted Active Learning Approach

Devising effective post-hazard recovery strategies is critical in enhancing the resilience of transportation networks (TNs). However, existing work does not consider the multiclass users’ travel behavior in network functionality quantification and the metaheuristic solution procedures often suffer from extensive computational burden due to the exploration need in large solution space and the expensive functionality quantification. Here, this study develops a bilevel decision-making framework for the resilience-based recovery scheduling of the TN in a mixed traffic environment with connected and autonomous vehicles (CAVs) and human-driven vehicles (HDVs). The lower level quantifies the TN's functionality over time considering different travel behavior of CAV and HDV users arisen from their different levels of information perception. The upper level presents a novel deep-ensemble-assisted active learning approach to balance optimization performance and computational cost. This framework can help decision makers better quantify the TN's functionality to support effective recovery scheduling of TN with different mixed traffic scenarios ranging from HDV-only to future CAV-dominant traffic. The optimization approach bears the potential to be extended to solving general large-scale network recovery scheduling problems effectively and efficiently. The proposed methodology is demonstrated using a real-world traffic network in Southern California under earthquake considering deterministic and stochastic repair durations.

42 ENGINEERING↗
NASA NTRS1995

Technologies For Maintaining Animals In Space: Lighting, Air Quality, Noise, Food And Water

In the terrestrial environment multiple time cues exist. Zeitgebers have been identified and studied for their ability to convey temporal information to various physiological systems. In the microgravity experiment it is necessary to define time cues within the flight hardware prior to flight. During flight if changes in the Circadian System (e.g., mean, phase angle, period) occur this would indicate that the gravity vector is important relative to biological timing. This presentation is concerned with the environmental parameter: to support rodent experiments in microgravity. The Animal Enclosure Module (AEM) provides solid food bars and water via lixits and ad libitum. Flight animals (Sprague-Dawley rats, 60 - 300g) when compared to ground controls show similar growth (mean growth per day g, plus or minus SD; flight 5.4 plus or minus 2.0, ground 5.9 plus or minus 2.1). Current AEMs use incandescent lighting (approx. 5 Lux). Light emitting diode (LED) arrays are being developed that provide a similar light environment as cool-white fluorescent sources (40 Lux). In ground based tests (12L:12D), these arrays show normal circadian entrainment (Tau = 24.0) with respect to the behavioral responses, measured (drinking, eating, gross locomotor activity). A newly developed ultra high efficiency filter system can entrap all feces, urine and odors from 6 rats for 24 days. Maximum sound level exposure limits (per octave band 22 Hz - 179 kHz) have been established. The AEM will effectively support animal experiments in microgravity.

Winget, C. M.↗
NASA NTRSDate not supplied

Crew Performance Support System to Aid in Anomaly Resolution: Concept of Operations

As missions progress into deep space, communication delays and disruptions will disenable the crew’s reliance on Earth experts. There are also limitations in the amount of data that can be downlinked to the ground. It is prudent to assume that critical, complex vehicle or habitat sub-systems will malfunction at a time when a lunar or Mars’ crew cannot rely on the Earth-Support team to detect, diagnose and resolve the problem and it is impractical to expect a small crew to step-in with the same level of expertise as 50+ authorities. The crew will need novel processes and advanced technological support to independently identify and resolve safety- and time-critical anomalies. That a self-reliant crew is unable to respond appropriately to time-critical anomalies is a significant risk to crew safety and mission success. This risk is driven by several factors; novel and unanticipated anomalies would not have been trained pre-flight, the crew could forget their pre-flight training or spaceflight stressors could impair the crew’s problem-solving ability. At last year’s IWS, Beard reported that a single spaceflight stressor (elevated CO2) could undermine the crew’s ability to independently respond to emergencies. Concept of Operations (ConOps) provide a common view of future system functions to all stakeholders. For the current project, a ConOps was developed that describes the operational processes, practices and capabilities needed by a crew of astronauts on deep space missions to autonomously respond to anticipated and unanticipated anomalies. It is crucial to recognize that, as of August 2018 existing technologies are unable to effectively support crew anomaly response to unanticipated events. “Intelligent technology” has not reached a maturity level that permits generalizing a solution to novel situations. For example, to train intelligent technology requires volumes of data that do not exist. The complexities involved in a manned mission to Mars cannot be compared to sending rovers to Mars using scripted software. This ConOps proposes a Crew Performance Support System (CPSS) that will push NASA and its industry partners toward what will be required for a safe and successful manned mission to Mars. Anomaly resolution during a deep space mission will take place within a dynamic, or changing, context. The figure to the left shows five broad contextual variables: the organizational culture, mission context, system characteristics, team characteristics and individual characteristics. The yellow arrow indicates that spaceflight and task-related stressors can affect system, team and individual crewmember characteristics and therefore anomaly response potential. The figure depicts a protective umbrella of Human-System Integration (HSI) principles that should be instituted during CPSS development including a balanced workload, shared situation awareness and building an appropriate level of trust in the automation. The figure also depicts two interrelated and cooperative components, an HSI Data System and other Enabling Capabilities will be required to support crew anomaly response and Earth-Support situation awareness. As we journey from ISS to Gateway to Mars, multiple, simultaneous and integrated research and development efforts (i.e., support systems co-evolution) must be implemented to meet the problem-solving challenges a self-reliant crew will face on a Mars’ mission. The crossovers between the capabilities are just as important as the discrete capabilities themselves. As the capabilities mature, the lines between the support subdomains will blur and an integrated system will emerge. The ConOps summarizes current knowledge about how highly trained people solve anomalies in safety- and time-critical situations, describes a group of capabilities that could help to reduce the extant risk and documents requirements levied on additional systems that provides critical inputs to the CPSS. Scenarios are used to promote a shared understanding of processes, practices and technological goals needed for safe and productive manned missions beyond LEO.

HSIA risk↗
DOE OSTI2022

Impact of Open Communication Networks on Load Frequency Control with Plug-in Electric Vehicles by Cyber-Physical Dynamic Co-Simulation: Preprint

With the increasing electrification of the transportation sector, vehicle to grid (V2G) control technologies are promising to improving system frequency stability. However, these control technologies might require non-traditional communication supports. This paper investigates the impacts of electric vehicles (EVs) V2G on power system frequency regulation considering communication variations through transmission-distribution-communication (TDC) dynamic simulation. The simulation model is built based on our previously developed open-source transmission-and-distribution (T&D) dynamic co-simulation framework. Here, we add the communication variation functions (i.e. delay and packet loss) to complete the TDC simulation framework. In the case studies, practical communication variation scenarios are considered when the system experiencing an N-1 generation trip contingency. The considered scenarios include communication delay and packet loss using both homogeneous and heterogeneous assumptions. The delay and packet loss rate are the same in all communication channels in the homogeneous case but varies in the heterogeneous case. The results show the communication delay has an obvious impact on the frequency recovery compared to the communication packet drop. The impacts of the standard deviations of communication delay time and packet drop rate are not significant. The outcomes of this work can help improve the EV frequency regulation services and provide robust and effect supports to the grid.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2020

Low Count and Background Radionuclides Analysis - 20488

The US Department of Energy (DOE) is often faced with the need to evaluate radionuclides at low concentrations. When site sample data are likely to be close to threshold activity concentrations of interest, then the means by which the radiochemical analysis is performed and reported is critical. This situation can occur when differentiating from zero (presence/absence) for radionuclides that do not occur naturally, close comparison with environmental background for naturally occurring radionuclides, close comparison with a risk- or dose-based threshold concentrations of interest, or even comparisons across studies. There are several analytical issues that are of concern, but the two that appear to cause incorrect decisions to be made most often involve establishing detection limits and subtracting ambient background conditions in the laboratory. These issues are not critical when radionuclide activity concentrations are large relative to thresholds of concern, but they seem to be poorly understood when it matters. When the comparisons are important and are likely to be close to a threshold of interest, then the general contract with the analytical laboratories needs to be changed so that the right or appropriate data are obtained. The concern is that important decisions are made incorrectly more often as greater scrutiny is placed on DoE's radionuclide cleanup or monitoring decisions by the public and other stakeholders. Examples are presented of problems that have been observed for different projects, both within and outside the realm of DOE and NRC remediation and radioactive waste disposal problems, and solutions are offered that should lead to better data from which important decisions need to be made. The first example is from Los Alamos National Laboratory (LANL) and involves radionuclide concentrations in soil and rock beneath LANL's Material Disposal Area (MDA) G. An initial review of the data led to a conclusion that americium and plutonium are a long way present beneath MDA G. A more thorough review of the data that accounted properly for ambient background and the detection limits that had been established led to the opposite conclusion. Another example is from the Nevada National Security Site where tritium results from one of the wells were unexpectedly high. Proper understanding and analysis of ambient background led to the conclusion that the increased concentrations were not so obvious, and that a different contract with the analytical laboratory was needed to provide more appropriate data to support a better determination. Other examples are used from regulatory review of projects in Nevada, where background levels and secular equilibrium for naturally occurring radionuclides are not established correctly because of analytical issues. The same basic issues have also been found to create difficulties analyzing historical data from the West Valley Demonstration Project. There is evidence in the data that the apparent lack of secular equilibrium where it is expected to exist is related to ambient background subtraction or other analytical issues. A final example is presented for analysis of Tc-99 in samples of depleted uranium. In this case, two different studies that were performed only three months apart provide quite different results. The US Environmental Protection Agency (EPA) established the data quality objectives (DQO) process in the mid-1980's to establish decision performance criteria for data collection. EPA guidance (EPA G-4, for example) clearly distinguishes between DQOs and measurement performance objectives (MQOs) that should be addressed for laboratory analysis of samples. The language of DQOs and MQOs has become confused over time it seems, and the subsequent effects seem to include a lack of attention to decision performance and a routine approach to measurement quality. In order to better address radionuclide sample analysis when the concentrations are close to thresholds of concern, which might be zero for some radionuclides, background for others, and risk-based thresholds for yet others, it is important that routine laboratory analysis methods are adjusted, and that the project team and the laboratory work closely together to ensure that the data meets the MQO requirements of laboratory analysis and reporting of results, and that the MQOs effectively support project-specific DQOs. This basic approach will be applied in Los Alamos in the coming year to the collection of moisture data from underneath MDA T that will be analyzed for americium and neptunium isotopes. Proper understanding of the radiochemistry methods and reporting, and of appropriate statistical methods is critical to the success of such projects, ensuring that the right decisions are made. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Light-driven hydrogen evolution via a novel pincer/no pincer mechanism including a possible concerted proton electron transfer

The road to efficient molecular catalysts for artificial photosynthesis requires a great deal of basic research to address the challenges of anthropogenic global warming. An unexpected result of such research is a novel pincer/no pincer mechanism discovered for the DFT-calculated catalytic cycle of PNP-C2 complexes. Structural parameters from theoretical modeling are supported by single crystal X-ray data for the corresponding complexes. Using the examples of [M(II)Cl(PNP-C2-R)] + (M = Pd 2+ , Ni 2+ ; R = CH 3 , H; PNP-C2 = N,N-bis{(di(2-methoxy-phenyl)phosphanyl)ethyl}-N-alkylamine) this pincer/no pincer mechanism is supported by differential pulse voltammetric, cyclic voltammetric, UV-Vis spectroscopic (combined with voltammetry) and 31 P nuclear magnetic resonance spectroscopic studies. The efficiency of hydrogen evolution during artificial photosynthesis depends significantly on the ratio of photosensitiser and water reduction catalysts. At first sight, the results from irradiation experiments (gas chromatography and mass spectrometry) seem obvious, but show a considerable impact of secondary and tertiary amines within the pincer structure. The best result obtained for the palladium pincer complex was with a secondary amine as a proton relay, delivering a turnover number of 2237 after only 2.5 hours. In contrast the analogous water reduction catalyst with a methylated (tertiary) amine instead of a secondary one gives only 972 turnovers under the same experimental conditions, over the same time. For all photocatalytic measurements the amount of hydrogen is approximately 2.5-times higher when a secondary amine is used as the proton relay. The influences of these different amines on the activity of water reduction catalysts during irradiation experiments in H 2 O or D 2 O lead to evidence of a kinetic isotope effect, supporting a possible concerted proton electron transfer. DFT calculations of reaction enthalpies, activation energies and intrinsic reaction coordinates of the catalytic cycle support the high efficiency of the presented catalysts. In particular, results from secondary amines suggest new candidates as examples of the rarely known concerted proton electron transfer.

14 SOLAR ENERGY↗
DOE OSTI2023

BinaRena: a dedicated interactive platform for human-guided exploration and binning of metagenomes

Background: Exploring metagenomic contigs and “binning” them into metagenome-assembled genomes (MAGs) are essential for the delineation of functional and evolutionary guilds within microbial communities. Despite the advances in automated binning algorithms, their capabilities in recovering MAGs with accuracy and biological relevance are so far limited. Researchers often find that human involvement is necessary to achieve representative binning results. This manual process however is expertise demanding and labor intensive, and it deserves to be supported by software infrastructure. Results: We present BinaRena, a comprehensive and versatile graphic interface dedicated to aiding human operators to explore metagenome assemblies via customizable visualization and to associate contigs with bins. Contigs are rendered as an interactive scatter plot based on various data types, including sequence metrics, coverage profiles, taxonomic assignments, and functional annotations. Various contig-level operations are permitted, such as selection, masking, highlighting, focusing, and searching. Binning plans can be conveniently edited, inspected, and compared visually or using metrics including silhouette coefficient and adjusted Rand index. Completeness and contamination of user-selected contigs can be calculated in real time. In demonstration of BinaRena’s usability, we show that it facilitated biological pattern discovery, hypothesis generation, and bin refinement in a complex tropical peatland metagenome. It enabled isolation of pathogenic genomes within closely related populations from the gut microbiota of diarrheal human subjects. It significantly improved overall binning quality after curating results of automated binners using a simulated marine dataset. Conclusions: BinaRena is an installation-free, dependency-free, client-end web application that operates directly in any modern web browser, facilitating ease of deployment and accessibility for researchers of all skill levels. The program is hosted at https://github.com/qiyunlab/binarena, together with documentation, tutorials, example data, and a live demo. It effectively supports human researchers in intuitive interpretation and fine tuning of metagenomic data.

59 BASIC BIOLOGICAL SCIENCES↗