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DOE OSTI2024

Machine-Learning-Based Mapping and Modeling of Solar Energy with Ultra-High Spatiotemporal Granularity

Despite the rapid growth of solar energy, we still lack a dynamic, high-fidelity database that tracks the spatiotemporal variations of solar PVs and their associated infrastructures across different places at a spatially resolved scale. The absence of such data presents a barrier to various applications such as solar PV growth projection, solar energy integration, solar incentive design, and climate risk assessment. In this project, we aim to bridge this gap by developing AI-based algorithms to extract granular information about solar PV installations and their associated infrastructures (i.e., distribution grids) from widely available unstructured data like remote sensing images and street views. As a result, we have built the Solar Energy Atlas, a fine-grained, large-scale geospatial overlay of distributed solar PVs and distribution grids. On top of it, we have advanced the understanding of solar adoption and distribution grid vulnerability to climate-induced extremes. Our major contributions can be summarized as follow: (1) By developing new AI algorithms, we have built the most comprehensive solar PV spatiotemporal database covering the entire US. This is the first time we obtained the exact GPS locations, size, subtype, and installation year information for rooftop solar PVs across the US. This database can be used for solar PV growth projection, solar energy integration, solar energy policy analysis and design, and spatially-resolved climate risk assessment. (2) Leveraging this database, we have uncovered the socioeconomic driving factors that are correlated with earlier onset of solar adoption and higher saturated adoption levels. We have identified the heterogeneity in the effects of different types of financial incentives on solar adoption and provided implications for tailoring incentive design based on local income levels to promote equitable solar adoption. (3) We have developed a distribution grid GIS mapping algorithm which can obtain granular geospatial and topology information about distribution grids using multi-modal open data, reducing the dependency on hard-to-obtain smart meter data of conventional approaches. It shows effectiveness in both the U.S. and Sub-Saharan Africa. Using this algorithm, we have uncovered the non-uniform vulnerability of distribution grids to wildfires in California in the aspects of undergrounding protection and Distributed Energy Resources (DER) preparedness. This has provided important implications for improving the affordability and equity of grid adaptation approaches. (3) We have made our produced database publicly available and provided user-friendly interface to enable various stakeholders and the general public to interact with the data. We have also integrated the produced data into the Data Commons platform to enable the public to access the data and correlate it with other location-specific characteristics simply using natural language as queries. The impact of our project is three-fold: (1) New algorithms for mapping solar PVs and distribution grids across space and time, which are open source to facilitate researchers and industry; (2) New databases of solar PVs and distribution grids that have been made publicly available for engineering, social, and policy applications; (3) New understandings and actionable insights on the potential approaches to promoting solar adoption and reducing energy infrastructure vulnerabilities. In this report, we start by discussing the project background and motivation (section 5), followed by the overview of project objectives (section 6). Results and discussion for each task are presented in section 7. Significant accomplishments are summarized in section 8. This report will be concluded by discussing the paths forwards (section 9), products (section 10), and team roles (section 11).

14 SOLAR ENERGY↗

NASA NTRS2014

ldentifying Episodes of Earth Science Phenomena Using a Big-Data Technology

A significant portion of Earth Science investigations is phenomenon- (or event-) based, such as the studies of Rossby waves, volcano eruptions, tsunamis, mesoscale convective systems, and tropical cyclones. However, except for a few high-impact phenomena, e.g. tropical cyclones, comprehensive records are absent for the occurrences or events of these phenomena. Phenomenon-based studies therefore often focus on a few prominent cases while the lesser ones are overlooked. Without an automated means to gather the events, comprehensive investigation of a phenomenon is at least time-consuming if not impossible. We have constructed a prototype Automated Event Service (AES) system that is used to methodically mine custom-defined events in the reanalysis data sets of atmospheric general circulation models. Our AES will enable researchers to specify their custom, numeric event criteria using a user-friendly web interface to search the reanalysis data sets. Moreover, we have included a social component to enable dynamic formation of collaboration groups for researchers to cooperate on event definitions of common interest and for the analysis of these events. An Earth Science event (ES event) is defined here as an episode of an Earth Science phenomenon (ES phenomenon). A cumulus cloud, a thunderstorm shower, a rogue wave, a tornado, an earthquake, a tsunami, a hurricane, or an El Nino, is each an episode of a named ES phenomenon, and, from the small and insignificant to the large and potent, all are examples of ES events. An ES event has a duration (often finite) and an associated geo-location as a function of time; it's therefore an entity embedded in four-dimensional (4D) spatiotemporal space. Earth Science phenomena with the potential to cause massive economic disruption or loss of life often rivet the attention of researchers. But, broader scientific curiosity also drives the study of phenomena that pose no immediate danger, such as land/sea breezes. Due to Earth System's intricate dynamics, we are continuously discovering novel ES phenomena. We generally gain understanding of a given phenomenon by observing and studying individual events. This process usually begins by identifying the occurrences of these events. Once representative events are identified or found, we must locate associated observed or simulated data prior to commencing analysis and concerted studies of the phenomenon. Knowledge concerning the phenomenon can accumulate only after analysis has started. However, as mentioned previously, comprehensive records only exist for a very limited set of high-impact phenomena; aside from these, finding events and locating associated data currently may take a prohibitive amount of time and effort on the part of an individual investigator. The reason for the lack of comprehensive records for most of the ES phenomena is mainly due to the perception that they do not pose immediate and/or severe threat to life and property. Thus they are not consistently tracked, monitored, and catalogued. Many phenomena even lack precise and/or commonly accepted criteria for definitions. Moreover, various Earth Science observations and data have accumulated to a previously unfathomable volume; NASA Earth Observing System Data Information System (EOSDIS) alone archives several petabytes (PB) of satellite remote sensing data, which are steadily increasing. All of these factors contribute to the difficulty of methodically identifying events corresponding to a given phenomenon and significantly impede systematic investigations. We have not only envisioned AES as an environment for identifying customdefined events but also aspired for it to be an interactive environment with quick turnaround time for revisions of query criteria and results, as well as a collaborative environment where geographically distributed experts may work together on the same phenomena. A Big Data technology is thus required for the realization of such a system. In the following, we first introduce the technology selected for AES in the next section. We then demonstrate the utility of AES using a use case, Blizzard, before we conclude.

Kuo, Kwo-Sen↗

DOE OSTI2025

The Impacts of Rotational Mixing on the Precipitation Simulated by a Convection Permitting Model

With increased availability of computational resources, regional and global scale convection-permitting model (CPM, Δx ~ 1–10 km) simulations are becoming more common. CPMs have improved accuracy in their representation of deep convection and mesoscale convective systems (MCSs) compared to coarser resolution models. However, CPMs still exhibit convective cloud and precipitation biases relative to observations, notably a lesser frequency of light precipitation rates and greater frequency of heavy precipitation rates. In this work we hypothesize that these CPM biases are related to under-resolved mixing between convective updrafts and their surrounding environment. To test this hypothesis, we introduce a parameterization to the Weather Research and Forecasting model (WRF) that adds a small angular rotation of the grid-scale flow about the axis perpendicular to the plane of convective drafts. This rotated flow is then allowed to alter advection of moisture and hydrometeors. The effects of such mixing on precipitation characteristics are evaluated in month-long 4-km grid spacing simulations over the Amazon. The enhanced mixing transports moisture and condensate from convective cores to other areas including downdrafts. This increases the frequency of low-precipitable water and light precipitation. It also decreases the frequency of intense precipitation from isolated deep convection and MCSs, increases cloud top temperatures, reduces radar echo-top heights, and increases overall precipitation by altering the relationship of precipitation with precipitable water, in better agreement with observations. The results suggest when optimized using multiple observations, such an approach may provide a path toward more accurate representation of convection and precipitation statistics in convection-permitting simulations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

Simultaneous Retrievals of Biomass Burning Aerosols and Trace Gases From the Ultraviolet to Near-Infrared Over Northern Thailand During the 2019 Pre-Monsoon Season

With the advent of spaceborne spectroradiometers in a geostationary constellation, measuring high spectral resolution ultraviolet–visible (UV-VIS) and selected near-/shortwave-infrared (NIR/SWIR) radiances can enable the probing of the life cycle of key atmospheric trace gases and aerosols at higher temporal resolutions over the globe. The UV-VIS measurements are important for retrieving several key trace gases (e.g., O 3 , SO 2 , NO 2 , and HCHO) and particularly for deriving aerosol characteristics (e.g., aerosol absorption and vertical profile). This study examines the merit of simultaneous retrievals of trace gases and aerosols using a ground-based spectroradiometer covering the UV-NIR to monitor their physicochemical processes and to obtain reliable aerosol information for various applications. During the 2019 pre-monsoon season over northern Thailand, we deployed a ground-based SMART–s (Spectral Measurements for Atmospheric Radiative Transfer–spectroradiometer) instrument, which is an extended-range Pandora with reliable radiometric calibration in the 330–820 nm range, to retrieve remotely sensed chemical and aerosol properties for the first time near biomass burning sources. The high spectral resolution (∼ 1.0 nm full width half maximum with ∼ 3.7 × oversampling) of sun and sky measurements from SMART–s provides several key trace gases (e.g., O 3 , NO 2 , and H 2 O) and aerosol properties covering the UV where significant light absorption occurs by the carbonaceous particles. During the measurement period, highly correlated total column amounts of NO 2 and aerosol optical thickness (т aer ) retrieved from SMART–s (correlation coefficient, R=0.74) indicated their common emissions from biomass burning events. The SMART–s retrievals of the spectral single scattering albedo (ω 0 ) of smoke aerosols showed an abrupt decrease in the UV, which is an important parameter dictating photochemical processes in the atmosphere. The values of ω 0 and column precipitable water vapor (H 2 O) gradually increase with the mixing of biomass burning smoke particles and higher water vapor concentrations when approaching the monsoon season. The retrieved ω 0 and weighted mean radius of fine-mode aerosols from SMART–s showed positive correlations with the H 2 O (R=0.81 for ω 0 at 330 nm and 0.56 for the volume-weighted mean radius), whereas the real part of the refractive index of fine-mode aerosol (n f ) showed negative correlations (R = -0.61 at 330 nm), which suggest that aerosol aging processes including hygroscopic growth (e.g., humidification and cloud processing) can be a major factor affecting the temporal trends of aerosol optical properties. Retrieved n f and ω 0 were closer to those of the water droplet (i.e., n f of about 1.33 and ω 0 of about 1.0) under lower amounts of NO 2 during the measurement period; considering that the NO 2 amounts in the smoke may indicate the aging of the plume after emission due to its short lifetime, the tendency is also consistent with active hygroscopic processes of the aerosols over this area. Retrieved UV aerosol properties from SMART–s generally support the assumed smoke aerosol models (i.e., the spectral shape of aerosol absorption) used in NASA's current satellite algorithms, and their spectral ω 0 retrievals from ground and satellites showed good agreements (R = 0.73–0.79). However, temporal and spectral variabilities in the aerosol absorption properties in the UV emphasize the importance of a realistic optical model of aerosols for further improvements in satellite retrievals.

biomass burning↗

NASA NTRS2016

Characterization of Operational Performance of Ka-Band Links in Deep Space Network

This paper presents a characterization of performance of 32-GHz Ka-band link in an operational environment. The data come from tracking of Kepler spacecraft by the NASA Deep Space Network (DSN) in the past few years. Ka-band link offers a significant signal-to-noise advantage compared to the more common X- or S-band; however, it is subject to more signal fluctuation caused by the weather. Kepler is the first mission supported by the DSN that solely rely on the higher deep space Ka-band communications link to return its high-rate science data. A well characterization of the operational performance of Kepler would benefit future Ka-band missions, especially for those operating with smaller link margin. The study examines how weather conditions at the DSN facilities (e.g., winds, clouds, rains) affect the received signal, particularly on telemetry data. It addresses questions such as how often the weather affects the link and how much degradation the link could suffer. Among the 22 Ka-band passes in 2012, heavy clouds affected one pass and two passes were impacted by high winds. The adverse weather caused at time as much as 3-dB instantaneous change in the signal to noise ratio (SNR). Estimates of degradation to the SNR as a function of wind speeds are captured based on observations. This study also quantifies the probability distribution of the variation of received signal power. With such information, future missions can better plan their link design. An optimal link design aims for just having enough margin to realize the data return with a targeted probability, with neither having too much margin that it reduces the downlink data rate nor insufficient reserve that causes frequent data outages. The study tries to provide some answers to the questions such as how much does SNR vary from one tracking pass to the next, and what is the cumulative distribution of signal fluctuation. Regarding the signal variation over many tracking passes, we found that the averaged symbol SNR (SSNR) for each pass changed by as much as 4 dB. Some variations were due to geometry such as the changing distance between spacecraft and Earth and different antenna pointing elevations. Other variations seem to be random in nature, reflecting the randomness of operational environments. Some passes were found to be quite stable, with a standard deviation of symbol SNR around 0.25 dB while others had greater variation, up to 1.4 dB. Overall, the cumulative distribution of the symbol SNR reflects that 50% of the fluctuations was less than 0.6 dB, 90% of fluctuation was within 1.6 dB and 95% within 2.2 dB. Some of the challenges in data processing, validation and modeling were captured in this paper. We observed some inconsistent measurements where operational data significantly deviate from a normal expectation. These inconsistent measurements made it hard to develop an accurate and consistent performance model, such as the degradation of signal SNR as a function of high wind. The difficulty was compounded by the fact that there were only a few Ka-band passes observed in high winds.

Pham, Timothy↗

DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NOx during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

02 PETROLEUM↗

NASA NTRS2014

Design Concepts for a Small Space-Based GEO Relay Satellite for Missions Between Low Earth and near Earth Orbits

The main purpose of the Small Space-Based Geosynchronous Earth orbiting (GEO) satellite is to provide a space link to the user mission spacecraft for relaying data through ground networks to user Mission Control Centers. The Small Space Based Satellite (SSBS) will provide services comparable to those of a NASA Tracking Data Relay Satellite (TDRS) for the same type of links. The SSBS services will keep the user burden the same or lower than for TDRS and will support the same or higher data rates than those currently supported by TDRS. At present, TDRSS provides links and coverage below GEO; however, SSBS links and coverage capability to above GEO missions are being considered for the future, especially for Human Space Flight Missions (HSF). There is also a rising need for the capability to support high data rate links (exceeding 1 Gbps) for imaging applications. The communication payload on the SSBS will provide S/Ka-band single access links to the mission and a Ku-band link to the ground, with an optical communication payload as an option. To design the communication payload, various link budgets were analyzed and many possible operational scenarios examined. To reduce user burden, using a larger-sized antenna than is currently in use by TDRS was considered. Because of the SSBS design size, it was found that a SpaceX Falcon 9 rocket could deliver three SSBSs to GEO. This will greatly reduce the launch costs per satellite. Using electric propulsion was also evaluated versus using chemical propulsion; the power system size and time to orbit for various power systems were also considered. This paper will describe how the SSBS will meet future service requirements, concept of operations, and the design to meet NASA users' needs for below and above GEO missions. These users' needs not only address the observational mission requirements but also possible HSF missions to the year 2030. We will provide the trade-off analysis of the communication payload design in terms of the number of links looking above and below GEO; the detailed design of a GEO SSBS spacecraft bus and its accommodation of the communication payload, and a summary of the trade study that resulted in the selection of the Falcon 9 launch vehicle to deploy the SSBS and its impact on cost reductions per satellite. ======================================================================== Several initiatives have taken place within NASA1 and international space agencies2 to create a human exploration strategy for expanding human presence into the solar system; these initiatives have been driven by multiple factors to benefit Earth. Of the many elements in the strategy one stands out: to send robotic and human missions to destinations beyond Low Earth Orbit (LEO), including cis-lunar space, Near-Earth Asteroids (NEAs), the Moon, and Mars and its moons.3, 4 The time frame for human exploration to various destinations, based on the public information available,1,4 is shown in Figure 1. Advance planning is needed to define how future space communications services will be provided in the new budget environment to meet future space communications needs. The spacecraft for these missions can be dispersed anywhere from below LEO to beyond GEO, and to various destinations within the solar system. NASA's Space Communications and Navigation (SCaN) program office provides communication and tracking services to space missions during launch, in-orbit testing, and operation phases. Currently, SCaN's space networking relay satellites mainly provide services to users below GEO, at Near Earth Orbit (NEO), below LEO, and in deep space. The potential exists for using a space-based relay satellite, located in the vicinity of various solar system destinations, to provide communication space links to missions both below and above its orbit. Such relays can meet the needs of human exploration missions for maximum connectivity to Earth locations and for reduced latency. In the past, several studies assessed the ability of satellite-based relays working above GEO in conjunction with Earth ground stations. Many of these focused on the trade between space relay and direct-to-Earth station links5,6,7. Several others focused on top-level architecture based on relays at various destinations8,9,10,11,12. Much has changed in terms of microwave and optical technology since the publication of the referenced papers; Ka-band communication systems are being deployed, optical communication is being demonstrated, and spacecraft buses are becoming increasingly more functional and operational. A design concept study was undertaken to access the potential for deploying a Small Space-Based Satellite (SSBS) relay capable of serving missions between LEO and NEO. The needs of future human exploration missions were analyzed, and a notional relay-based architecture concept was generated as shown in Fig. 1. Relay satellites in Earth through cis-Lunar orbits are normally located in stable orbits requiring low fuel consumption. Relay satellites for Mars orbit are normally selected based on the mission requirement and projected fuel consumption. Relay satellites have extreme commonalities of functions between them, differing only in the redundancy and frequencies used; therefore, the relay satellite in GEO was selected for further analysis since it will be the first step in achieving a relay-based architecture for human exploration missions (see Fig.Figure 2). The mission design methodology developed by the Collaborative Modeling for Parametric Assessment of Space Systems (COMPASS) team13 was used to produce the satellite relay design and to perform various design trades. At the start of the activity, the team was provided with the detailed concept of the notional architecture and the system and communication payload drivers.

Relay Satellites↗

DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NO x during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

42 ENGINEERING↗

DOE OSTI2022

Findings on Subtask 3.1 - Bakken Rich Gas Enhanced Oil Recovery Project

Total in-place oil for the Bakken petroleum system (BPS) (which includes the Bakken and Three Forks Formations) has been estimated to be 600 billion barrels (bbl). However, BPS wells have decline rates as high as 85% over the first 3 years of their lives, and primary recovery factors typically range from 3% to 10% of original oil in place. Given the low initial recovery rates, even small incremental productivity improvements could dramatically increase technically recoverable oil in the BPS. One potential solution is enhanced oil recovery (EOR) using gas injection, such as carbon dioxide (CO2) or hydrocarbon (HC) gases. While commonly used in conventional reservoirs, CO2 EOR in unconventional tight oil reservoirs has been limited to pilot tests. EOR using rich gas (mixture of methane, ethane, and propane) has also been employed in numerous pilots in several unconventional plays and has recently been successfully applied in the Eagle Ford play. If successful, large-scale gas-based EOR in the BPS could dramatically increase oil productivity and recovery factors and extend the life of the play for decades. While CO2 may be a technically suitable working fluid for EOR in the BPS, supplies are limited and costs for using CO2 in EOR pilots are prohibitively high. Meanwhile, produced gas flaring has presented challenges for BPS operators in North Dakota. Analysis conducted by the North Dakota Pipeline Authority indicates that the current gas-gathering infrastructure in North Dakota is insufficient to accommodate all of the associated gas that is produced from the BPS. The geographically isolated location of North Dakota relative to large natural gas markets, combined with suppressed natural gas prices, has made it economically challenging for industry to invest capital in expanding gas-gathering infrastructure in the state. These circumstances led to a research program conducted by the Energy & Environmental Research Center (EERC) in partnership with Liberty Resources Management Company LLC (LR) to examine the potential to use rich gas injection for EOR and mitigate flaring. A rich gas EOR pilot test was designed and executed by LR at its Stomping Horse development area in Williams County, North Dakota. From July 2018 through May 2019, a total of 160 million standard cubic feet (MMscf) of rich produced gas was injected into the BPS using five different wells in a sequential injection strategy. LR’s Leon–Gohrick drill spacing unit (DSU) was used as the test site. Regulatory oversight was provided by the North Dakota Industrial Commission (NDIC). Technical support was provided by the EERC through a series of laboratory, modeling, and field-based activities, and additional post-pilot research activities incorporated learnings from the test, developed new laboratory data, improved fracture modeling methods, and developed machine learning and big data analytics. The results from the Stomping Horse rich gas EOR pilot activities indicate that developing an effective, economical EOR approach for the BPS will require more field tests. Another key lesson learned from the Stomping Horse tests is that detailed pre- and posttest data on reservoir conditions and fluids production are essential. Robust reservoir characterization provides information that is crucial to creating realistic geomodels and conducting valid dynamic simulations of potential EOR scenarios. A detailed understanding of the completions and production history of offset wells is also necessary for valid test result interpretations. This knowledge is essential to designing the operational parameters of injectivity tests and interpreting the results. A conformance control strategy is also essential to success. Laboratory-based examinations of rich gas interactions with reservoir fluids and rocks were conducted, with an emphasis on determining the ability to mobilize oil in the tight reservoir rocks and shales of the BPS. Injection fluid composition was shown to have a positive impact on reducing reservoir oil minimum miscibility pressure (MMP), reducing interfacial tension (IFT), and altering wettability. IFT and contact angle measurements demonstrated that wettability can be altered in the presence of rich gas, suggesting the potential to improve oil recovery. Iterative modeling of surface infrastructure and reservoir performance using data generated by the various project activities was conducted. A geologic model of the Stomping Horse area was built; history-matched oil, gas, and water production was used in simulations of various EOR scenarios. Early programmatic modeling results were used to support LR’s design and operation of the EOR pilot and to provide insight regarding optimization of future commercial-scale BPS EOR design and operations. Post-pilot modeling focused on alternative methods of understanding complex fracture networks and accelerating simulation time. These led to improved simulation run times and provide excellent history-matching results. Several of these iterative models were used as the bases for developing algorithms into machine learning and big data analytics. History matching in reservoir simulation is time-consuming and computer processing-intensive. Machine learning algorithms were created, and an automated history-matching tool was developed. A large set of synthetic reservoir simulations were created to generate well responses (oil, gas, and water production, well bottomhole pressure [BHP], and tracer or propane breakthrough) for a set of EOR operating parameters that included offset well status (open or closed), injectate (rich gas or propane), injection rate, and injection well BHP. A user interface was developed to provide real-time visualization. Machine learning-based models were developed to provide rapid forecasting of well performance given a set of user-defined EOR operating parameters. These predictive models allow the user to modify the offset well status, injection rate, and injection well BHP and rapidly forecast future production performance. The combination of real-time visualization tools with real-time forecasting tools provides a framework for real-time control—operational changes that the EOR site operator can enact (e.g., changing gas injection rates) to affect the observed performance and potentially improve the EOR outcome. There is great reason to be optimistic about the future of EOR in the Bakken. The results of the laboratory studies suggest significant potential for high rates of oil mobilization using produced field gas injection under the right conditions. The results of the lab studies, combined with rigorous statistical analysis of well production data and associated modeling efforts, confirm the notion that fluid mobility within the reservoir is controlled by fractures. As more knowledge is gained about the nature and distribution of fracture networks in the Bakken, the industry will be in a better position to predict and, ultimately, influence fluid mobility. New field tests are necessary to develop a more complete understanding of those conditions. Thoughtful and creatively engineered field tests within a well-characterized geologic setting will yield the fundamental knowledge needed to take Bakken oil production to the next level. This subtask was cofunded through the EERC–U.S. Department of Energy Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by the North Dakota Industrial Commission’s Oil and Gas Research Program and Computer Modelling Group.

04 OIL SHALES AND TAR SANDS↗

NASA NTRS2013

NASA Software Engineering Benchmarking Study

To identify best practices for the improvement of software engineering on projects, NASA's Offices of Chief Engineer (OCE) and Safety and Mission Assurance (OSMA) formed a team led by Heather Rarick and Sally Godfrey to conduct this benchmarking study. The primary goals of the study are to identify best practices that: Improve the management and technical development of software intensive systems; Have a track record of successful deployment by aerospace industries, universities [including research and development (R&D) laboratories], and defense services, as well as NASA's own component Centers; and Identify candidate solutions for NASA's software issues. Beginning in the late fall of 2010, focus topics were chosen and interview questions were developed, based on the NASA top software challenges. Between February 2011 and November 2011, the Benchmark Team interviewed a total of 18 organizations, consisting of five NASA Centers, five industry organizations, four defense services organizations, and four university or university R and D laboratory organizations. A software assurance representative also participated in each of the interviews to focus on assurance and software safety best practices. Interviewees provided a wealth of information on each topic area that included: software policy, software acquisition, software assurance, testing, training, maintaining rigor in small projects, metrics, and use of the Capability Maturity Model Integration (CMMI) framework, as well as a number of special topics that came up in the discussions. NASA's software engineering practices compared favorably with the external organizations in most benchmark areas, but in every topic, there were ways in which NASA could improve its practices. Compared to defense services organizations and some of the industry organizations, one of NASA's notable weaknesses involved communication with contractors regarding its policies and requirements for acquired software. One of NASA's strengths was its software assurance practices, which seemed to rate well in comparison to the other organizational groups and also seemed to include a larger scope of activities. An unexpected benefit of the software benchmarking study was the identification of many opportunities for collaboration in areas including metrics, training, sharing of CMMI experiences and resources such as instructors and CMMI Lead Appraisers, and even sharing of assets such as documented processes. A further unexpected benefit of the study was the feedback on NASA practices that was received from some of the organizations interviewed. From that feedback, other potential areas where NASA could improve were highlighted, such as accuracy of software cost estimation and budgetary practices. The detailed report contains discussion of the practices noted in each of the topic areas, as well as a summary of observations and recommendations from each of the topic areas. The resulting 24 recommendations from the topic areas were then consolidated to eliminate duplication and culled into a set of 14 suggested actionable recommendations. This final set of actionable recommendations, listed below, are items that can be implemented to improve NASA's software engineering practices and to help address many of the items that were listed in the NASA top software engineering issues. 1. Develop and implement standard contract language for software procurements. 2. Advance accurate and trusted software cost estimates for both procured and in-house software and improve the capture of actual cost data to facilitate further improvements. 3. Establish a consistent set of objectives and expectations, specifically types of metrics at the Agency level, so key trends and models can be identified and used to continuously improve software processes and each software development effort. 4. Maintain the CMMI Maturity Level requirement for critical NASA projects and use CMMI to measure organizations developing software for NASA. 5.onsolidate, collect and, if needed, develop common processes principles and other assets across the Agency in order to provide more consistency in software development and acquisition practices and to reduce the overall cost of maintaining or increasing current NASA CMMI maturity levels. 6. Provide additional support for small projects that includes: (a) guidance for appropriate tailoring of requirements for small projects, (b) availability of suitable tools, including support tool set-up and training, and (c) training for small project personnel, assurance personnel and technical authorities on the acceptable options for tailoring requirements and performing assurance on small projects. 7. Develop software training classes for the more experienced software engineers using on-line training, videos, or small separate modules of training that can be accommodated as needed throughout a project. 8. Create guidelines to structure non-classroom training opportunities such as mentoring, peer reviews, lessons learned sessions, and on-the-job training. 9. Develop a set of predictive software defect data and a process for assessing software testing metric data against it. 10. Assess Agency-wide licenses for commonly used software tools. 11. Fill the knowledge gap in common software engineering practices for new hires and co-ops.12. Work through the Science, Technology, Engineering and Mathematics (STEM) program with universities in strengthening education in the use of common software engineering practices and standards. 13. Follow up this benchmark study with a deeper look into what both internal and external organizations perceive as the scope of software assurance, the value they expect to obtain from it, and the shortcomings they experience in the current practice. 14. Continue interactions with external software engineering environment through collaborations, knowledge sharing, and benchmarking.

Rarick, Heather L.↗

NASA NTRS1997

Large-Scale Impact Cratering and Early Earth Evolution

The surface of the Moon attests to the importance of large-scale impact in its early crustal evolution. Previous models of the effects of a massive bombardment on terrestrial crustal evolution have relied on analogies with the Moon, with allowances for the presence of water and a thinner lithosphere. It is now apparent that strict lunar-terrestrial analogies are incorrect because of the "differential scaling" of crater dimensions and melt volumes with event size and planetary gravity. Impact melt volumes and "ancient cavity dimensions for specific impacts were modeled according to previous procedures. In the terrestrial case, the melt volume (V(sub m)) exceeds that of the transient cavity (V(sub tc)) at diameters > or = 400 km. This condition is reached on the Moon only with transient cavity diameters > or = 3000 km, equivalent to whole Moon melting. The melt volumes in these large impact events are minimum estimates, since, at these sizes, the higher temperature of the target rocks at depth will increase melt production. Using the modification-scaling relation of Croft, a transient cavity diameter of about 400 km in the terrestrial environment corresponds to an expected final impact "basin" diameter of about 900 km. Such a "basin" would be comparable in dimensions to the lunar basin Orientale. This 900-km "basin" on the early Earth, however, would not have had the appearance of Orientale. It would have been essentially a melt pool, and, morphologically, would have had more in common with the palimpsests structures on Callisto and Ganymede. With the terrestrial equivalents to the large multiring basins of the Moon being manifested as muted palimpsest-like structures filled with impact melt, it is unlikely they played a role in establishing the freeboard on the early Earth. The composition of the massive impact melt sheets (> 10 (exp 7) cu km) produced in "basin-forming" events on the early Earth would have most likely ranged from basaltic to more mafic for the largest impacts, where the melt volume would have reached well into the mantle. Any contribution from adiabatic melting or shock heating of the asthenosphere would have had similar mafic compositions. The depth of the melt sheets is unknown but would have been in the multilkilometer range. Bodies of basaltic melt > or = 300 m thick differentiate in the terrestrial environment, with the degree of differentiation being a function of the thickness of the body. We therefore expect that these thick, closed-system melt pools would have differentiated into an ultramafic-mafic base and felsic top. If only 10% of the impact melt produced in a single event creating a 400-km diameter transient cavity evolved into felsic differentiates, they would be comparable in volume to the Columbia River basalts. It has been estimated that at least 200 impact events of this size or larger occurred on the early Earth during a period of heavy bombardment. We speculate that these massive differentiated melt sheets may have had a role in the formation of the initial felsic component of the Earth's crust. Additional information is contained in the original.

Grieve, R. A. F.↗

DOE OSTI2020

GIS-Based Modeling of Contaminated Soil Volumes at Multiple Sites in the Formerly Utilized Sites Remedial Action Program - 20149

The remediation of hazardous, toxic, and radioactive waste (HTRW) sites produces cost-related risks associated with the estimation of contaminated soil or debris volumes. Historical risk-management techniques include cost contingencies to cover volume uncertainties that affect project budgeting and decision-making. The Buffalo District teamed with project partners to lessen volume uncertainty and reduce project risks at multiple HTRW sites managed under the Formerly Utilized Sites Remedial Action Program (FUSRAP). Historical remedial investigations under FUSRAP commonly identified the presence of radiological material in site media, the associated human health risk, and then areas of remediation. To manage remedial execution and reduce risk, pre-design or remediation-phase sampling essentially 'chased' contamination, which was not conducive to efficient predictive budgeting derived from Feasibility Study (FS) cost analyses. The Buffalo District first optimized their approach to better understand volume uncertainty by utilizing the Argonne National Laboratory's Bayesian Approaches for Adaptive Spatial Sampling (BAASS) software [1]. BAASS processed soft data (e.g., gamma walk-over data) and spatial sampling data to estimate the lateral extent of contaminated soil irrespective of depth (i.e., gross contamination extent) and define areas of contaminant uncertainty. The software performed a binary transformation of contaminant concentrations at all sampling points based upon remedial action goals or a sum of ratios approach (i.e., clean, impacted, or range of impacts in soil). The model produced two-dimensional (horizontal) contaminant probability contours and statistical uncertainty in the sampling coverage and resulting contaminant extents. This method was translated vertically by partitioning the sampling data into depth brackets that produced a stacked representation of contaminant extents and uncertainty in the subsurface (i.e., similar to construction lifts). The results commonly led to a better understanding of project uncertainty and the need for sampling strategies that produce high-confidence soil volumes, which control costs. The BAASS-based delineations were eventually replaced by Empirical Bayesian Kriging (EBK) methods available in ArcGIS Spatial or 3D Analysts [2]. The EBK method calculates contaminant probability zones derived from user-controlled semivariograms of the spatial datasets. The resulting probability zones (e.g., 50% or 80% of contaminant probability) represent the two-dimensional surface delineation of the overall horizontal remedial area, similarly to BAASS. However, unlike BAASS, the vertical sampling data within these probability zones became vertical control points to contour a subterranean surface that connects subsurface points to the land-surface delineations of contamination. The resulting representation of horizontal and vertical impacts within an enclosed envelop (volume) of soil included uncertainty distributions that are used to plan uncertainty-reduction sampling. These data-driven and math-based models of three-dimensional sampling results produced well-bounded remedial volumes for project planning and better uncertainty predictions during project budgeting. The EBK method was applied to several FUSRAP sites managed by the Buffalo District and compared to less rigorously modeled sites previously remediated by the District. The comparison of modeled to actual remediated volumes provide a basis for validating the volume-estimation method. This comparison is important to ensure modeled volumes match physical boundaries of site remediation. FUSRAP sites with denser investigative sampling and lesser volume uncertainty proved useful in remedial planning and contracting. The Buffalo District noted that historical sites with sparser sampling arrays had greater disparity between estimated volumes and final remedial volumes. The benefit achieved over the cost of detailed soil sampling appears positive for FUSRAP projects, especially where impacts vary widely and appear unbounded by investigation-phase sampling. The subsequent Empirical Bayesian Kriging of contamination coupled with vertical contouring for soil estimations reduces uncertainty in soil volumes or indicates where sampling is required to reduce uncertainty, which together optimize remedial planning and budgeting. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

An Integrated Framework for Risk Assessment of Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology Advancement and Application

This report documents activities performed by Idaho National Laboratory (INL) during fiscal year (FY) 2024 for 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. The goal of the RISA Pathway is to optimize safety margins and minimize uncertainties to achieve economic efficiencies while maintaining high levels of safety. This is accomplished by providing scientific basis to better represent safety margins and factors that contribute to cost and safety, and by developing new technologies that reduce operating costs. The research efforts for FY 2024 encompass methodology refinement and exploration. The efforts include: (1) The implementation of a natural language processing tool to expedite key aspects of the reliability analysis methods developed by INL; (2) advances to support intersystem CCF analysis by providing guidance for and identification of coupling mechanisms that may contribute to CCF; (3) the investigation of how generative artificial intelligence tools can aid in hazard analysis and diversity and defense in depth (i.e., D3) assessments; (4) Industry collaboration, allowing the demonstration of and INL's risk assessment tools to support risk assessment of DI&C systems at early and late stages of development; (4) a roadmap for the development of a software for each of INL's risk assessment tools; (5) The development of a theory and methodology manual for a risk quantification methodology; (6) the development of a reliability analysis for machine learning (ML)-integrated control systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

ATOMIC Simulations and Experimental Data for Basalt-like Compounds

This data consists of simulations and experimental measurements of laser-induced breakdown spectroscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [2]. The makeup of the plasma was considered to be divided into some proportion water, some proportion Martian atmosphere (CO2), and some proportion target (from the rock or object impacted by the laser), where these proportions add to 1. Based on expert knowledge, the proportion of water was kept in the range [0.0,0.5] and the proportion of atmosphere was kept in the range [0.02, 0.9]. Our overall suite of simulations contains six sets of simulations that differ in which elements were considered to make up the target. Within each set, we used uniformly drawn temperatures and log mass densities within pre-specified ranges. The temperature range was [0.5,1.5] eV and the log (base 10) mass density range was [-7,-4]. The proportion of water, atmosphere, and target were drawn from a symmetric Dirichlet distribution, but draws in which the propor- tion of water or atmosphere exceeded the pre-specified limits were rejected from the design. Up to eleven constituent elements (Si, Al, Fe, Mg, Ca, O, Ti, Mn, Na, K, P) were considered for the target, as they are the most common elements found in basalt compounds and were used in [1]. For each run, the proportions of the constituent elements making up the target were drawn from a symmetric Dirichlet distribution. We ran 1,350 simulations that included nonzero proportions of all eleven elements. We also ran simulations which excluded some of these elements. In particular, we ran 1,000 simulations that only included nonzero proportions for the six most common elements (Si, Al, Fe, Mg, Ca, O). We also ran five sets, each with 500 simulations, that only included nonzero proportions for five of the six most common elements (but where all sets included O). Thus, we generated a total of 4,850 spectra representing basalt-like compounds in which the target was comprised of oxygen and between four and ten other elements. The ATOMIC code produced spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. Each spectra had 32,000 wavelengths split across three spectrometer ranges (to mimic ChemCam). The experimental data, described in [1], measures a prepared basalt sample. All files are kept in directories whose names indicate the set of elements considered for the target with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file which contains a header with measurement information, followed by a collection of 50 shots across a collection of wavelengths, along with the computed median and mean across shots.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1998

Gale Crater: An Amazonian Impact Crater Lake at the Plateau/Plain Boundary

Gale is a 140-km diameter impact crater located at the plateau/plain boundary in the Aeolis Northeast subquadrangle of Mars (5S/223W). The crater is bordered in the northward direction by the Elysium Basin, and in eastward direction by Hesperian channels and the Aeolis Mensae 2. The crater displays a rim with two distinct erosion stages: (a) though eroded, the south rim of Gale has an apparent crest line visible from the north to the southwest (b) the west and northwest rims are characterized by a strong erosion that, in some places, partially destroyed the rampart, leaving remnant pits embayed in smooth-like deposits. The same type of deposits is observed north, outside Gale, it also borders the Aeolis Mensae, covers the bottom of the plateau scarp, and the crater floor. The central part of Gale shows a 6400 km2 subround and asymmetrical deposit: (a) the south part is composed of smooth material, (b) the north part shows spectacular terraces, streamlines, and channels. The transition between the two parts of the deposit is characterized by a scarp ranging from 200 to 2000 in high. The highest point of the scarp is at the center of the crater, and probably corresponds to a central peak. Gale crater does not show a major channel directly inflowing. However, several large fluvi systems are bordering the crater, and could be at the origin of the flooding of the crater, or have contributed to. One fluvial system is entering the crater by the southwest rim but cannot be accounted alone for the volume of sediment deposited in the crater. This channel erodes the crater floor deposit, and ends in a irregular-shaped and dark albedo feature. Gale crater shows the morphology of a crater filled during sedimentation episodes, and then eroded Part of the lower sediment deposition contained in Gale might be ancient and not only aqueous in origin. According to the regional geologic history, the sedimentary deposit could be a mixture of aeolian and pyroclastic material, and aqueous sedimentary material that can originate both from drainage of the regional subsurface aquifer, and/or from surface flood. The central deposit shows three main levels: (a) the current crater floor (north of Gale), (b) an ancient level about 200 rn higher (south of Gale), and (c) the massive terraced deposits. A crater statistics on the 15,400 kM2 area of the crater floor and deposit [3,41 gave: 259+/-112.4 craters, most of them partly embayed in the sedimentary deposit, and all inferior to 5-km diameter. For superimposed crater population only, the result is 194+/-112. The deduced relative ages ranges from Early to Middle Amazonian. The population of craters are comparable for the three levels, implying that the last sedimentation/erosion episode on Gale was recent and affected the whole crater. The streamlined morphology of the border of the deposit, the layering, the channels, and the terraces are compatible with a significant fluvio-lacustrine history of the site. Multiple levels may suggest different episodes, but the common statistical age of the three levels shows that the last episode involved the whole crater. The origin of the lake water in Gale may have varied in time. Three major contributions have been proposed: (a) the drainage of the regional underground aquifer by Gale crater over an area of 110-km radius around the crater which would have provided approximately 1,600 cubic km of water, (b), surface drainage entering Gale by the south and north rims. In the south, a 250-km long system originates in the cratered uplands in a Noachian crater material plain (Nc), and crosses Hesperian and Amazonian crater material plains (AHc) northward [1]. Several fluvial systems originate in the Aeolis Mensae, east of Gale. They may had two functions in time: to recharge, the underground aquifer in the region of Gale, and to supply surface water in the crater by overspilling the northern rim, and (c) surface floods that originated from the rising of the water level in the Elysium Basin. According to the Amazonian age of Gale's floor, and the erosion direction in the crater, a flood from Elysium Basin is the most likely event to explain the material observed in Gale, and the formation of the last lake. This last flood may have been important enough to flood the central deposit up to about 1400 m above the crater floor, leaving two islands (non stream lined features) at the center of the deposit. Terrace spacing suggests a regular drop of the lake level in time. Fractures in terraces perpendicular to the shoreline can be interpreted either as: (a) the result of the drainage systems during the waning of the lake, or (b) traces of the pressure of an ice-covered sheet associated with subglacial drainage. The presence of a lake of such volume during the Amazonian period is one more evidence that water was still active on Mars relatively recently. Gale crater offers the rare opportunity to unveil a key-period of the martian history. The Amazonian might proved not as cold and dry as previously thought. The presence of large lakes and basins (Elysium Basin is large as the Mediterranean Sea), reinforces the model of an extensive water activity during the Amazonian that has still to be understood in the context of an assumed cooling and drying planet. The sediments and rocks that were left of this period in Gale keep the record of the climatic conditions of the Amazonian and the clues that are missing to understand the climatic evolution of Mars. In addition, Gale crater presents the advantage to be located at the plateau/plain boundary, which has never been studied and contains information about the two main martian geological units. As a conclusion, we propose a table that summarizes the worthiness of a mission in Gale crater, and the expected science return relative to the objectives to be met by the Surveyor Program. Additional information contained in the original.

Cabrol, N. A.↗

DOE OSTI2020

Accelerated Aging Humidity Chamber for Nuclear Grade HEPA Filter Media

A unique accelerated aging humidity chamber for simulating the natural aging process of nuclear grade high efficiency particulate air (HEPA) filter media is being designed, implemented, and tested. The nuclear industry currently lacks information regarding the shelf life and service life of HEPA filter media. The Department of Energy recommends disposing of HEPA filters 10 years after the manufacture date for filters operated under dry conditions. Studies have shown the tensile strength and water repellency of HEPA filter media diminish with age. The chamber's principal function is to sustain an elevated relative humidity condition for an extended duration specified by the Arrhenius aging model. To accomplish this, various design parameters were established: (1) consistently achieve uniform humidity conditions within the chamber to equally expose media sheets, (2) ensure the chamber is sufficiently sealed to mitigate the uncontrolled infiltration of air, (3) confidently secure the media sheets to avert the introduction of unnecessary stressing/creasing, (4) fabricate the chamber from clear polycarbonate material to allow inspection of the media sheets, (5) provide a safe and ergonomic design for personnel, (6) ensure the chamber design is replicable and relatively easy to fabricate/assemble. A humidity source, fan, PID controller, humidity and temperature transmitters, and data loggers are required for proper operation and control of the chamber. The humidity source must accommodate target values up to 95% relative humidity throughout the chamber. The three humidity and temperature transmitters are strategically spaced throughout the chamber to ensure uniform conditions. The 10 cubic feet per minute (CFM) fan selected intends to accomplish the desired air change rate inside the chamber of approximately 20 air changes per hour (ACH). The 2 plenums on the upper and lower portions of the chamber utilize a perforated design to uniformly distribute air, promote air mixing, and control the air velocity entering the chamber. Industrial blueprint hanging clamps are being retrofitted to be seated within the chamber drawers and firmly secure the nuclear grade filter media. The aged media will be evaluated using autopsy methodology, and the results obtained intend to help clarify the useful life of nuclear grade HEPA filters. Nuclear grade high efficiency particulate air (HEPA) filters are defined as disposable, extended-media, dry-type filters with a rigid casing enclosing the full depth of the pleats and have a minimum particle removal efficiency of 99.97%. [1] - HEPA filters are constantly exposed to stressors and subsequently have been shown to degrade as the filter ages. Properties such as tensile strength and water repellency, along with others, are negatively impacted. [2] - Due to the scarcity of naturally aged HEPA filters available, it is crucial to develop accelerated aging methods which effectively mimic the natural degradation effects. - After accelerated aging, the filters are subject to testing in the Axial Flow Large Scale Test Stand (ALSTS) and other analysis techniques such as the same qualification tests performed directly after being manufactured. - Quality data is necessary for future decisions regarding the lifetime of nuclear grade HEPA filters. - The objective is to develop a prototype accelerated aging humidity chamber for nuclear grade HEPA filter media. The chamber should expose the media to commonly occurring stressors to expedite the degradation process caused by aging. PID yields reliable and reproducible results: - CFD model correlates well with actual performance; - Further analysis is needed to complete characterization; - Future work for the chamber is still to be completed. The data shown in Figure 5 and Table 1 indicate the system is functioning as designed. As can be determined from the system response evaluation in Table 1, the PID controller is yielding reliable and reproducible results at each set point. As the set point increases, the time constant and 20% settling time increase accordingly. From the results in Table 1, it stands to reason that the CFD model correlates well with the actual performance of the system. Each system response parameter for the 90%RH* CFD model is slightly lower than the parameters collected from the physical model tested at an equivalent set point. This is to be expected considering the inlet in the CFD model is a constant supply of water vapor, whereas the physical model uses a PID controller to monitor the amount of water vapor needed and reacts accordingly. More analysis is still to be done on the prototype chamber. A pressure test will be conducted in order to determine the hourly leak rate of the chamber. This test will involve constant air flow into the chamber until the desired pressure is reached. A uniformity test will also be conducted in order to ensure each filter medium is being exposed to equivalent relative humidity levels. This test will involve an array of humidity meters strategically oriented inside the chamber to record any possible gradients. Future work for the chamber includes dehumidification abilities, tests while fully loaded with filters, and temperature control. Once completed, the autopsy team at Institute of Clean Energy Technology will conduct necessary accelerated aging studies as needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2011

NASA System Safety Handbook: System Safety Framework and Concepts for Implementation - Volume 1

System safety assessment is defined in NPR 8715.3C, NASA General Safety Program Requirements as a disciplined, systematic approach to the analysis of risks resulting from hazards that can affect humans, the environment, and mission assets. Achievement of the highest practicable degree of system safety is one of NASA's highest priorities. Traditionally, system safety assessment at NASA and elsewhere has focused on the application of a set of safety analysis tools to identify safety risks and formulate effective controls.1 Familiar tools used for this purpose include various forms of hazard analyses, failure modes and effects analyses, and probabilistic safety assessment (commonly also referred to as probabilistic risk assessment (PRA)). In the past, it has been assumed that to show that a system is safe, it is sufficient to provide assurance that the process for identifying the hazards has been as comprehensive as possible and that each identified hazard has one or more associated controls. The NASA Aerospace Safety Advisory Panel (ASAP) has made several statements in its annual reports supporting a more holistic approach. In 2006, it recommended that "... a comprehensive risk assessment, communication and acceptance process be implemented to ensure that overall launch risk is considered in an integrated and consistent manner." In 2009, it advocated for "... a process for using a risk-informed design approach to produce a design that is optimally and sufficiently safe." As a rationale for the latter advocacy, it stated that "... the ASAP applauds switching to a performance-based approach because it emphasizes early risk identification to guide designs, thus enabling creative design approaches that might be more efficient, safer, or both." For purposes of this preface, it is worth mentioning three areas where the handbook emphasizes a more holistic type of thinking. First, the handbook takes the position that it is important to not just focus on risk on an individual basis but to consider measures of aggregate safety risk and to ensure wherever possible that there be quantitative measures for evaluating how effective the controls are in reducing these aggregate risks. The term aggregate risk, when used in this handbook, refers to the accumulation of risks from individual scenarios that lead to a shortfall in safety performance at a high level: e.g., an excessively high probability of loss of crew, loss of mission, planetary contamination, etc. Without aggregated quantitative measures such as these, it is not reasonable to expect that safety has been optimized with respect to other technical and programmatic objectives. At the same time, it is fully recognized that not all sources of risk are amenable to precise quantitative analysis and that the use of qualitative approaches and bounding estimates may be appropriate for those risk sources. Second, the handbook stresses the necessity of developing confidence that the controls derived for the purpose of achieving system safety not only handle risks that have been identified and properly characterized but also provide a general, more holistic means for protecting against unidentified or uncharacterized risks. For example, while it is not possible to be assured that all credible causes of risk have been identified, there are defenses that can provide protection against broad categories of risks and thereby increase the chances that individual causes are contained. Third, the handbook strives at all times to treat uncertainties as an integral aspect of risk and as a part of making decisions. The term "uncertainty" here does not refer to an actuarial type of data analysis, but rather to a characterization of our state of knowledge regarding results from logical and physical models that approximate reality. Uncertainty analysis finds how the output parameters of the models are related to plausible variations in the input parameters and in the modeling assumptions. The evaluation of unrtainties represents a method of probabilistic thinking wherein the analyst and decision makers recognize possible outcomes other than the outcome perceived to be "most likely." Without this type of analysis, it is not possible to determine the worth of an analysis product as a basis for making decisions related to safety and mission success. In line with these considerations the handbook does not take a hazard-analysis-centric approach to system safety. Hazard analysis remains a useful tool to facilitate brainstorming but does not substitute for a more holistic approach geared to a comprehensive identification and understanding of individual risk issues and their contributions to aggregate safety risks. The handbook strives to emphasize the importance of identifying the most critical scenarios that contribute to the risk of not meeting the agreed-upon safety objectives and requirements using all appropriate tools (including but not limited to hazard analysis). Thereafter, emphasis shifts to identifying the risk drivers that cause these scenarios to be critical and ensuring that there are controls directed toward preventing or mitigating the risk drivers. To address these and other areas, the handbook advocates a proactive, analytic-deliberative, risk-informed approach to system safety, enabling the integration of system safety activities with systems engineering and risk management processes. It emphasizes how one can systematically provide the necessary evidence to substantiate the claim that a system is safe to within an acceptable risk tolerance, and that safety has been achieved in a cost-effective manner. The methodology discussed in this handbook is part of a systems engineering process and is intended to be integral to the system safety practices being conducted by the NASA safety and mission assurance and systems engineering organizations. The handbook posits that to conclude that a system is adequately safe, it is necessary to consider a set of safety claims that derive from the safety objectives of the organization. The safety claims are developed from a hierarchy of safety objectives and are therefore hierarchical themselves. Assurance that all the claims are true within acceptable risk tolerance limits implies that all of the safety objectives have been satisfied, and therefore that the system is safe. The acceptable risk tolerance limits are provided by the authority who must make the decision whether or not to proceed to the next step in the life cycle. These tolerances are therefore referred to as the decision maker's risk tolerances. In general, the safety claims address two fundamental facets of safety: 1) whether required safety thresholds or goals have been achieved, and 2) whether the safety risk is as low as possible within reasonable impacts on cost, schedule, and performance. The latter facet includes consideration of controls that are collective in nature (i.e., apply generically to broad categories of risks) and thereby provide protection against unidentified or uncharacterized risks.

Dezfuli, Homayoon↗

DOE OSTI2024

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

The development of experimental methods and apparatuses capable of promoting atomically precise material manipulations holds great promise for realizing the ultimate limit of feature miniaturization in materials and devices. The ability to modify materials atom by atom is anticipated to usher in new technologies in areas as diverse as separation science, medicine, and quantum information science. Historically, scanning probe-based techniques have been the most prominent approaches in this space. However, these methods are best suited for the manipulation of surface-exposed regions of materials, as the strong perturbations required for bond scission are delivered most effectively to atoms in the near-proximity to the scanning probe. In contrast, convergent electron beams with energies tuned slightly below the threshold for inducing irreversible knock-on damage have recently been employed (within scanning transmission electron microscopy) to promote atomic-scale bond rearrangements in various beam-stable solids. Currently, however, the efficiency and selectivity of beam-induced atomic manipulation processes with focused electron beams are such that long irradiation times are required to induce a desired atomic rearrangement. With a better understanding of the underlying physics dictating the outcome of a given irradiation event, methods can be devised to improve the efficiency of these techniques so that their promise can be fully realized through widespread adoption.To this end, this Account details our recent efforts to develop and apply tractable first-principles simulation approaches for studying the response of materials to electric beam-like external electric potentials applied in real space. We briefly review the concepts and capabilities in the area of atomically precise materials manipulation and review the early demonstrations of accomplishments in this area, focusing on studies using scanned convergent electron beam probes in particular. We expound upon the depth of the challenge and identify critical shortcomings of theoretical methods that have previously been employed in the simulation of beam-induced processes. We then describe the computational methods that we have generalized from the concepts and tools most commonly applied to the study of molecular photochemistry and how our adaptations of these methods can be employed to capture the relevant dynamical phenomena for beam-induced processes ranging from the initial electron scattering to the ensuing multistate reactions. Here, we contextualize these methods within the current state of the art in this area, which has historically focused primarily on the simulation of inelastic image formation in the electron microscope for the purpose of interpreting the results of quantitative electron microscopy experiments. We demonstrate that the spatial distribution of state-specific excitation rates due to the presence of an external (probe) electric charge is inhomogeneous, such that irradiation at particular locations in materials can favor specific electronic transitions (and disallow others). In addition to the potential for excited-state reaction pathways to be accessed through the initial inelastic scattering of the tightly focused electron beam from the targeted atoms, we also identify favorable conditions for the electronically nonadiabatic evolution of the highly vibrationally excited system to open complex multistate reaction pathways. Implications of the early results for understanding the mechanisms and potential routes to improved efficiency and selectivity in beam-induced reactions are discussed. We conclude with a summary of the current state of theory and modeling capabilities in this area and provide our perspective on future directions for theoretical and experimental developments that we view as crucial to advancing the use of convergent electron beams in mode-specific, atomically precise platforms for direct-write materials modifications.

36 MATERIALS SCIENCE↗