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

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Bisphosphonate Treatment: Risk Management in Long Duration Spaceflight

Bisphosphonates are a class of pharmaceuticals used to treat diverse bone disorders such as osteoporosis, Paget's disease, and multiple myeloma. They constitute a class of drugs which adhere to bony surfaces and interfere with the resorptive activity of osteoclasts. They also represent a potential countermeasure towards the loss of bone mass experienced by astronauts during spaceflight. Recently, the medical literature has revealed cases of osteonecrosis of the jaw in individuals receiving intravenous bisphosphonate therapy with a smaller number of cases occurring in individuals receiving the oral form of the medication. Risk management for long duration missions requires consideration of mission success and lifetime health care of astronauts. We performed MEDLINE and PubMed searches (1966 December 2006) using the following keywords: osteonecrosis, jaw, bisphosphonates. Additional references were obtained from the citations of the retrieved articles. Injectable bisphosphonates such as pamidronate and zoledronic acid have been highlighted recently in the literature due to a possible link with osteonecrosis of the jaw. The mechanism of action remains unclear but may be linked to physiologic microdamage in the jawbones resulting from suppression of bone metabolism. The most predisposing factors appear to be the type and dose of bisphosphonate used, a history of dental surgery, trauma, and/or dental infection. In addition, patients diagnosed with a malignancy such as breast cancer or multiple myeloma, who have been on intravenous bisphosphonate therapy for several months seem to be at increased risk. The use of oral bisphosphonates appears to place patients more at risk from acute events such as gastrointestinal tract injury or perforation. Although some studies report little to no increase in GI events compared to placebo, we must remember that in microgravity, astronauts may be unable to comply with medication instructions. They may have difficulty remaining upright for the required 30-45 minutes post-ingestion. We are currently unaware if this inability to comply with instructions on the package insert may lead to an increased risk for GI events. There is a potential long-term complication that resides with both forms of bisphosphonate therapy. In order to repair normally occurring physiologic microdamage to bone, both osteoclastic resorption and osteoblastic bone deposition must be functional. Controversy exists in the literature regarding whether prolonged use of bisphosphonates may lead to the suppression of bone turnover and accumulation of microdamage. Bisphosphonates are a powerful class of drugs that suppress bone turnover, but may cause serious adverse clinical events such as gastrointestinal tract injury or osteonecrosis of the jaw. Unfortunately, little to no data exists currently which may help us provide answers regarding the risks of their use in a healthy astronaut cohort. While controversy exists in the literature regarding their mechanism and long-term consequences, the potential mission impact or lifetime health care impact of an adverse clinical event resulting from bisphosphonate therapy must be considered.

Fogarty, Jennifer A.↗
NASA NTRS2006

Evaluation of Mesoscale Model Phenomenological Verification Techniques

Forecasters at the Spaceflight Meteorology Group, 45th Weather Squadron, and National Weather Service in Melbourne, FL use mesoscale numerical weather prediction model output in creating their operational forecasts. These models aid in forecasting weather phenomena that could compromise the safety of launch, landing, and daily ground operations and must produce reasonable weather forecasts in order for their output to be useful in operations. Considering the importance of model forecasts to operations, their accuracy in forecasting critical weather phenomena must be verified to determine their usefulness. The currently-used traditional verification techniques involve an objective point-by-point comparison of model output and observations valid at the same time and location. The resulting statistics can unfairly penalize high-resolution models that make realistic forecasts of a certain phenomena, but are offset from the observations in small time and/or space increments. Manual subjective verification can provide a more valid representation of model performance, but is time-consuming and prone to personal biases. An objective technique that verifies specific meteorological phenomena, much in the way a human would in a subjective evaluation, would likely produce a more realistic assessment of model performance. Such techniques are being developed in the research community. The Applied Meteorology Unit (AMU) was tasked to conduct a literature search to identify phenomenological verification techniques being developed, determine if any are ready to use operationally, and outline the steps needed to implement any operationally-ready techniques into the Advanced Weather Information Processing System (AWIPS). The AMU conducted a search of all literature on the topic of phenomenological-based mesoscale model verification techniques and found 10 different techniques in various stages of development. Six of the techniques were developed to verify precipitation forecasts, one to verify sea breeze forecasts, and three were capable of verifying several phenomena. The AMU also determined the feasibility of transitioning each technique into operations and rated the operational capability of each technique on a subjective 1-10 scale: (1) 1 indicates that the technique is only in the initial stages of development, (2) 2-5 indicates that the technique is still undergoing modifications and is not ready for operations, (3) 6-8 indicates a higher probability of integrating the technique into AWIPS with code modifications, and (4) 9-10 indicates that the technique was created for AWIPS and is ready for implementation. Eight of the techniques were assigned a rating of 5 or below. The other two received ratings of 6 and 7, and none of the techniques a rating of 9-10. At the current time, there are no phenomenological model verification techniques ready for operational use. However, several of the techniques described in this report may become viable techniques in the future and should be monitored for updates in the literature. The desire to use a phenomenological verification technique is widespread in the modeling community, and it is likely that other techniques besides those described herein are being developed, but the work has not yet been published. Therefore, the AMIU recommends that the literature continue to be monitored for updates to the techniques described in this report and for new techniques being developed whose results have not yet been published. 111

Lambert, Winifred↗
NASA NTRS2021

An Investigation of the Grain Size and Adhesion Strength of High-Speed Impact Ice

Ice accumulation on aircraft from supercooled water droplets (impact icing) can increase drag and decrease lift, leading to a decrease in fuel efficiency and a potential for unsafe situations. Anti-icing materials and coatings are of high interest to prevent aircraft icing. Because no anti-icing material suitable for in-flight situations has been realized, icing models aim to predict the accumulation and shape of the ice to understand its effects. In both cases, understanding the physical mechanism behind ice adhesion and shedding is necessary. A recent literature review has shown that the apparent ice adhesion strength to any specific material varies over several orders of magnitude across studies and test methods. One of the reasons for this high variance is likely to be the varying microstructure of the ice used for different studies. Although the microstructure of impact ice has been studied in the past, those conditions were not relevant to that of in-flight aircraft icing. The microstructure of the ice formed will determine both its bulk and surface properties, yet it has been overlooked in the ice adhesion community. Here, we use optical microscopy to study the non-uniform ice crystal grain size in impact ice accreted in NASA Glenn Research Center’s Icing Research Tunnel at various icing conditions. Similar to other environmental conditions studied in the literature, we show an increase in grain size at larger distances from the growth interface; however, the data shows substantially larger grains than what was expected from the prior literature. Ice accrued at lower temperatures has a smaller grain size at all distances from the growth interface. No change in grain size was noticed when varying only the wind speed. A correlational analysis shows that smaller grain sizes at the growth interface corresponded to an increase in the apparent ice adhesion strength when the adhesive failure was interfacial, but not when the failure was cohesive. These results may explain the overall trend in the literature of increasing apparent adhesion strength with decreasing temperature. Incorporating microstructure trends for various environmental conditions in icing models may increase the certainty in predicting ice adhesion strength and shedding, and will provide a better basis for comparison between adhesive tests on ice produced in different facilities and at different storage times.

• Ice Fabric↗
NASA NTRSDate not supplied

Crowd Sourcing Medical Data Collection Using Medical Students

OBJECTIVE We undertook an upgrade of the Evidence Library database of NASA HRP’s Integrated Medical Model, assessing 120 medical conditions which integrate with a novel probabilistic risk assessment (IMPACT) tool of medical risk and resource utilization for long duration exploration human spaceflight. This data collection process included a selection of these conditions crowd sourced over one year via three 4-week medical student electives at the University of Colorado School of Medicine (IDPT 8059 Space Medicine: Human Spaceflight Factors & Medical Risk Assessment). Students undertook a rapid systematic review of each medical condition, under close preceptors with backgrounds in clinical medicine, library science, epidemiology, biostatistics, and evidence-based medicine. As part of the elective, students also received instruction in core space medicine concepts, evidence based medicine and problem based learning sessions as a flight surgeon supporting a simulated Mars mission. METHODS The list of 120 medical conditions includes both common, terrestrial illness/injury (epistaxis, diverticulitis) as well as spaceflight-specific ones (space adaptation conditions, EVA-related injuries). A rapid systematic review process was developed that would allow students to find the data for determining disease incidence/prevalence, return to definitive care (often a surrogate such as hospitalization rates), loss of crew life, and treatment duration. Each data point required a tailored, specialized search process using different databases and corresponding specialized search filters. Databases were selected on their ability to provide high quality literature in an efficient manner and prioritized by their ability to provide graded evidence via a set rubrics specific to human spaceflight. Students were responsible for performing all literature searches and identifying the highest quality available evidence for each data point. Completed student data sheets underwent initial review by faculty preceptors followed by a secondary editing review by the ExMC Clinical Science Team. RESULTS Over the course of three electives, approximately 105 medical conditions were researched by students using spreadsheets with pre-crafted search strategies. Overall, this process was successful in allowing students to perform the preponderance of work to update incidence, treatment duration, return to definitive care, and loss of crew life data points. Students were successful in running searches, identifying the necessary data points within the literature, and determining the types of terrestrial data that most aligns with the astronaut population for successful completion of their tasks. Limitations included variable student experience with search methodologies [PubMed], differing values of evidence grading [best practice evidence based medicine vs. relevant to spaceflight], and students’ unfamiliarity with spaceflight specific conditions. CONCLUSION Finding the relevant literature for medical conditions in spaceflight within terrestrial databases in a systematic method is time consuming and not intuitive. However, the stepwise process that balanced sensitivity with specificity allowed for students to be highly successful in a short amount of time. Additionally, as the process was refined over the course of three electives, preceptors were better able to anticipate where students were likely to encounter barriers, which allowed the course to be adjusted to account for certain data points needing more time for completion. This replicable process may be an efficient way to accomplish rapid systematic reviews for a large volume of data in a short amount of time.

J Lemery↗
NASA NTRSDate not supplied

A Survey Protocol to Assess Meaningfulness and Usefulness of Automated Topic Finding in the NASA Aviation Safety Reporting System

Context: The NASA Aviation Safety Reporting System (ASRS) is a voluntary confidential aviation safety reporting system. The ASRS receives reports from pilots, air traffic controllers, flight attendants and other involved in aviation operations. The reports are de-identified and coded by ASRS expert safety analysts and a short descriptive synopsis is written to describe the safety issue. The de-identified reports are then disseminated to the aviation community in a number of ways including entry into an online database, Safety Alert Bulletins and For Your Information Notices, and the CALLBACK newsletter. Key to these publications are the timely processing (de-identification, coding and summarization) of new reports, which is currently done by ASRS expert safety analysts. Thus, we believe topic modelling could decrease effort in ASRS, if topics are comprehensible. Aim: We propose a methodology to evaluate whether automated topic finding using topic modelling provides meaningful and useful topics. Method: We extend the total error survey methodology to evaluate user topic comprehension of machine learning outputs. To accomplish this we performed a literature review to identify existing methods and define a construct for topic comprehension, utilizing existing ASRS synopsis writing practices to more precisely define meaningfulness and usefulness. Results: A survey protocol was created that addresses the limitations of other survey protocols found in the literature review, which we found lacking in rationale and clear protocol definition. Conclusion: The surveying of user understanding in machine learning outputs presents challenges due to the explosion of parameters to control for and the lack of systematic approach presented in the literature. More reproducible work and survey protocols are needed in the literature and our work is one step towards that direction.

topic finding↗
DOE OSTI2020

Aging of Concrete for the Evaluation of Repair Materials to Protect the Walls of the HCAEX Tunnel at Savannah River - 20301

H-Canyon, located in the Savannah River site, is a unique facility for chemical reprocessing of plutonium, highly-enriched uranium, and other radioactive materials. The exhaust gases of the H-Canyon are sent through the H-Canyon Exhaust (HCAEX) tunnel for contamination removal. Robotic inspections of the tunnel revealed significant degradation of the reinforced concrete structure that was associated with acid attack, and could compromise the structural stability of the tunnel. Thus, the identification and evaluation of potential repair materials that could be applied on the degraded walls to mitigate and prevent further degradation is of significant interest to the Department of Energy and the Savannah River representatives. This research effort has been divided into two phases: 1) Development and evaluation of aged concrete under accelerated aging conditions (which is the focus of this paper) and 2) Evaluation of potential repair materials applied on aged and non-aged concrete under simulated aggressive conditions. In order to develop and evaluate concrete samples exposed to accelerated aging conditions in simulated aggressive environments, a literature review of the HCAEX tunnel was conducted that included 1) characterization and extent of the concrete damage, 2) environmental conditions inside the tunnel and 3) primary deterioration mechanisms. In addition, potential coatings and/or repair materials for degraded concrete surfaces exposed to aggressive environments (primarily acidic) were selected from the literature review and the most common testing and measurements for evaluating acid attack phenomena, erosion, etc. were reviewed. From the literature review findings, a preliminary bench-scale test plan for the concrete aging was developed, including accelerated aging tests with aggressive conditions (acid fumes, humidity, etc.). Concrete samples were exposed to the aging accelerated conditions (e.g. immersion in acid solutions) and visual inspection, mass loss and pH change (acid solution) were recorded over time. Correlations between the visual inspection, mass loss and pH changes results and the aging time or the aging conditions were developed. Specimens submitted to the highest acid concentration showed the fastest and most intense degradation. The type of coarse aggregate (limestone) used for the concrete seemed to be the cause of the fastest aging observed, compared to the cement paste. The research findings created the foundation for the ongoing investigation, in which new concrete samples with a mix design similar to the HCAEX tunnel will be tested and will serve as the substrate for testing the selected coatings and /or repair materials. In this paper, the literature review and preliminary results from the aging tests are provided. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Trustworthiness and Trust: Identifying Factors that Drive Successful Human-AI Interaction in Nuclear Power Plant Applications

Emerging technologies such as artificial intelligence (AI) and machine learning (ML) are rapidly evolving and considered a promising tool for efficient and continued safe operations of the U.S. nuclear power plants (NPPs). Emerging AI techniques like large language models (LLMs) are one such technology that may support personnel at existing NPPs perform work more efficiently. For example, operators may query the current operational status of a power plant via a chat interface leveraging LLMs to access plant-related information in an interactive manner rather than manually collecting various sensor data for tasks such as surveillances or completing work orders. This is a fundamental shift in the way operators currently perform their tasks today. The literature of human-automation interaction indicates that trust is a crucial factor that drives successful interaction between a human operator and an automated system, like an AI-infused NPP application. This work presents the results of a literature review on key factors that relate to trust in AI/LLM technologies for NPP applications. The relevant literature of human factors and cognitive engineering has identified various factors related to trust including trustworthiness, performance characteristics, operator skill and perceived risk. This preliminary literature review will guide development and evaluation of models involving the identified factors influencing trust in AI and develop a framework for human-centered design for interface between humans and AI. By addressing trust, this work supports developing a technical basis for designing key characteristics of AI/LLM to support calibrated trust, which will ultimately support wide-scale adoption of AI/LLM technologies, as well as ensure safe, effective, and reliable use.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

An overview of wind-energy-production prediction bias, losses, and uncertainties

Abstract. The financing of a wind farm directly relates to the preconstruction energy yield assessments which estimate the annual energy production for the farm. The accuracy and the precision of the preconstruction energy estimates can dictate the profitability of the wind project. Historically, the wind industry tended to overpredict the annual energy production of wind farms. Experts have been dedicated to eliminating such prediction errors in the past decade, and recently the reported average energy prediction bias is declining. Herein, we present a literature review of the energy yield assessment errors across the global wind energy industry. We identify a long-term trend of reduction in the overprediction bias, whereas the uncertainty associated with the prediction error is prominent. We also summarize the recent advancements of the wind resource assessment process that justify the bias reduction, including improvements in modeling and measurement techniques. Additionally, because the energy losses and uncertainties substantially influence the prediction error, we document and examine the estimated and observed loss and uncertainty values from the literature, according to the proposed framework in the International Electrotechnical Commission 61400-15 wind resource assessment standard. From our findings, we highlight opportunities for the industry to move forward, such as the validation and reduction of prediction uncertainty and the prevention of energy losses caused by wake effect and environmental events. Overall, this study provides a summary of how the wind energy industry has been quantifying and reducing prediction errors, energy losses, and production uncertainties. Finally, for this work to be as reproducible as possible, we include all of the data used in the analysis in appendices to the article.

17 WIND ENERGY↗
NASA NTRS2020

A Systematic Review of Local to Regional Yield Forecasting Approaches and Frequently Used Data Resources

Forecasting crop yields, or providing an expectation of ex-ante harvest amounts, is highly relevant to the whole agricultural production chain. Farmers can adapt their management, traders or insurers their pricing schemes, suppliers their stocks, logistic companies their routes, national authorities their food balance sheets to guide import or export and, finally, international aid organizations can mobilize reliefs. Evidence has grown in the literature that such forecasts with a meaningful lead time are possible on various geographic scales and for a broad range of crops. Here, we present a systematic review of the methods applied in end-of-season yield forecasting and three frequently used data sources: weather data, satellite data and crop masks. Our literature database comprises 362 studies (2004–2019) which were evaluated regarding methods, crops, regions, data sources, lead time and performance. Moreover, we present 24 sources of real-time and predictive weather data, 21 sources of remote sensing data and 16 crop masks. Yield forecasting in our literature sample has been performed for 44 crops in 71 countries, also including many non-staple crops, but with an apparent bias in regions and crops. Forecasting performance depends on various factors, including crop, region, method, lead time to harvest and input diversity. Our systematic review supports a broader application of locally successful approaches at larger scales by providing a comprehensive, accessible compendium of necessary information for yield forecasting. We discuss improvement potentials with respect to methodological approaches and available data sources. We additionally suggest standardization procedures for future forecasting studies and encourage studying additional crops and geographic regions. Implications of forecasts for different target groups on different scales and the adaptation towards climate change are also discussed.

Seasonal crop yield forecasting↗
DOE OSTI2025

TropiRoot 1.0: Database of tropical root characteristics across environments

Tropical ecosystems contain the world's largest biodiversity of vascular plants. Yet, our understanding of tropical functional diversity and its contribution to global diversity patterns is constrained by data availability. This discrepancy underscores an urgent need to bridge data gaps by incorporating comprehensive tropical root data into global datasets. Here, we provide a database of tropical root characteristics. This new database, TropiRoot 1.0, will be instrumental in evaluating an array of hypotheses pertaining to root functional ecology and plant biogeography, both within the tropics and relative to other global biomes. The data compilation was conducted by the TropiRoot Initiative, in partnership with the Fine-Root Ecology Database (FRED) and the Global Root Trait (GRooT) database, Colorado State University (CSU) and the Smithsonian Tropical Research Institute (STRI). Literature search and data extraction were conducted between 2020 and 2024. Literature was identified using Web of Science, Scopus, and complemented using the expert knowledge of members of TropiRoot. To provide broad environmental and geographical distributions, literature searches included root characteristics (traits) across global change drivers, natural gradients, and from different continents. We adopted FRED standardized data columns and streamlined the format to enhance accessibility for data extraction across various user groups. This optimized framework resulted in a smaller, yet comprehensive datasheet. To make the database compatible with other global root trait initiatives, column identification was standardized following the codes provided by FRED. These efforts culminated in data extracted from 104 new sources, resulting in more than 8000 rows of data (either species or community data). Most of the data in TropiRoot 1.0 include root characteristics such as root biomass, morphology, root dynamics, mass fraction, architecture, anatomy, physiology, and root chemistry. This initiative represents a 30% increase in the currently available data for tropical roots in FRED. TropiRoot 1.0 contains root characteristics from 25 different countries, where seven are located in Asia, six in South America, five in Central America and the Caribbean, four in Africa, two in North America, and 1 in Oceania. Due to the volume of data, when ancillary data were available, including soil data, these data were either extracted and included in the database or its availability was recorded in an additional column. Multiple contributors checked the entries for outliers during the collation process to ensure data quality. For text-based observations, we examined all cells to ensure that their content relates to their specific categories. For numerical observations, we ordered each numerical value from least to greatest and plotted the values, checking apparent outliers against the data in their respective sources and correcting or removing incorrect or impossible values. Some data (soil and aboveground) have different columns for the same variable presented in different units, including originally published units, but root characteristics data had units converted to match those reported in FRED. By filling a gap from global databases, TropiRoot 1.0 expands our knowledge of otherwise so far underrepresented regions and our ability to assess global trends. This advancement can be used to improve tropical forest representation in vegetation models. The data are freely available and should be cited when used.

FRED↗
DOE OSTI2023

High‐pressure oxidation of n ‐butane

Abstract The oxidation of n ‐butane at elevated pressures has been investigated by experiments in a laminar flow reactor at 100 bar and temperatures of 450–900 K. The onset temperature for reaction increased from 550 K under oxidizing conditions (Φ = 0.02) to 625 K under reducing conditions (Φ = 13). NTC behavior was observed at 600–650 K (Φ = 0.02) and 625–675 K (Φ = 1.0). A detailed chemical kinetic model for the oxidation of n ‐butane was established. The present model and those suggested in literature were evaluated against the present experimental results and literature data at elevated pressures. None of the tested models could accurately reproduce the NTC behavior of n ‐butane under stoichiometric conditions of the present study, but all evaluated models could reproduce experimental data from literature with different levels of accuracy.

Hashemi, Hamid↗
DOE OSTI2023

Surface analysis insight note: X‐ray photoelectron spectroscopy analysis of battery electrodes—Challenges with nickel–manganese–cobalt and Li examples using an Al Kα x‐ray source

X‐ray photoelectron spectroscopy (XPS) has become a highly important tool for the analysis of battery materials and components. However, both anecdotal and detailed analysis of selected parts of the literature indicate that many reports of XPS on battery electrodes have significant analysis or data flaws. In this paper, we highlight several of the common challenges that analysts face when using XPS for battery materials, pointing to recent literature that addresses many of the critical issues associated with sample preparation as well as data collection and analysis. A common error for battery materials (and other materials) involves ignoring peak overlaps and interferences. Specifically, when a “minor” peak associated with a component in relatively high concentration overlaps or contributes to the primary peak (or one recommended for quantitative analysis) from a different element in the material. Overlap issues apply to many battery electrodes composed of many elements with complex photoelectron peak structures, as well as those involving peaks with seemingly simpler spectral envelopes such as Li and F. Examples of issues associated with battery systems are highlighted by a discussion of challenges associated with XPS analysis of Li and nickel–manganese–cobalt (NMC) electrodes in battery systems. Lithium analysis has challenges associated with the preparation and an often‐unrecognized peak overlap with F. In our laboratory and in the literature, NMC electrodes are often examined and new XPS users do not always recognize interference of the Auger signal from F KLL (in or on the electrode) with Ni 2p photoelectron spectrum when generated with Al Kα X‐rays. The use of simulated spectra involving both F and NiO demonstrates the extent of F Auger contributions to the Ni 2p signal strength as a function of the F/Ni atom ratio in the material and suggests spectra information that can be used to identify how significant effects will be on the resultant spectra. Our analysis demonstrates that in many cases overlap issues are significant for real electrode materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Expert and operator perspectives on barriers to energy efficiency in data centers

Abstract It was last estimated in 2016 that data centers (DCs) comprise approximately 2% of total US electricity consumption. However, this estimate is currently being updated to account for the massive increase in computing needs due to streaming, cryptocurrency, and artificial intelligence (AI). To prevent energy consumption that tracks with increasing computing needs, it is imperative we identify energy efficiency strategies and investments beyond the low-hanging fruit solutions. In a two-phased research approach, we ask: What non-technical barriers still impede energy efficiency (EE) practices and investments in the data center sector, and what can be done to overcome these barriers? In particular, we are focused on social and organizational barriers to EE. In Phase I, we performed a literature review and found that technical solutions are abundant in the literature, but fail to address the top-down cultural shifts that need to take place in order to adapt new energy efficiency strategies. In Phase II, reported here, we interviewed 16 data center operators/experts to ground-truth our literature findings. Our interview protocols focus on three aspects of DC decision-making: procurement practices, metrics and monitoring, and perceived barriers to energy efficiency. We find that vendors are the key drivers of procurement decisions, advanced efficiency metrics are facility-specific, and there is convergence in the design of advanced facilities due to the heat density of parallelized infrastructure. Our ultimate goals for our research are to design DC decarbonization policies that target organizational structure, empower individual staff, and foster a supportive external market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Automated Extraction of Energy Systems Information from Remotely Sensed Data: A Review and Analysis

We report high quality energy systems information is a crucial input to energy systems research, modeling, and decision-making. Unfortunately, actionable information about energy systems is often of limited availability, incomplete, or only accessible for a substantial fee or through a non-disclosure agreement. Recently, remotely sensed data (e.g., satellite imagery, aerial photography) have emerged as a potentially rich source of energy systems information. However, the use of these data is frequently challenged by its sheer volume and complexity, precluding manual analysis. Recent breakthroughs in machine learning have enabled automated and rapid extraction of useful information from remotely sensed data, facilitating large-scale acquisition of critical energy system variables. Here we present a systematic review of the literature on this emerging topic, providing an in-depth survey and review of papers published within the past two decades. We first taxonomize the existing literature into ten major areas, spanning the energy value chain. Within each research area, we distill and critically discuss major features that are relevant to energy researchers, including, for example, key challenges regarding the accessibility and reliability of the methods. We then synthesize our findings to identify limitations and trends in the literature as a whole, and discuss opportunities for innovation. These include the opportunity to extend the methods beyond electricity to broader energy systems and wider geographic areas; and the ability to expand the use of these methods in research and decision making as satellite data become cheaper and easier to access. We also find that there are persistent challenges: limited standardization and rigor of performance assessments; limited sharing of code, which would improve replicability; and a limited consideration of the ethics and privacy of data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations

Here, the thermodynamic description of the Yb-Sb binary system is developed by means of the CALculations of PHAse Diagrams (CALPHAD) method by combining experimental data in the literature and predictions from first-principles calculations based on density functional theory (DFT) in the literature and the present work. Two pseudopotentials of Yb are compared in the present DFT-based calculations with 14 and 13 f-electrons frozen in the core, i.e., 5p 6 6s 2 and 5p 6 6s 2 5 d 1 electrons as valence electrons, termed Yb_2 and Yb_3, respectively. It is shown that the phonon spectrum of the YbSb phase calculated using the Yb_3 pseudopotential does not have imaginary phonon modes and is subsequently used to predict its temperature dependent thermodynamic properties by the DFT-based quasiharmonic phonon calculations. The present thermodynamic database includes the Yb 16 Sb 11 phase in addition to five intermetallic phases that were considered in previous modeling studies, i.e., YbSb 2 , YbSb, Yb 11 Sb 10 , Yb 4 Sb 3 , and Yb 5 Sb 3 . The high temperature orthorhombic structure of the Yb 5 Sb 3 phase is not considered in the present work as it was stabilized by hydrogen. The associate solution model is used to describe the short-range ordering behavior in the liquid phase. The calculations from the present thermodynamic model show good agreement with thermochemical and phase equilibrium data from both the present work and the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accuracy of predictions made by machine learned models for biocrude yields obtained from hydrothermal liquefaction of organic wastes

Hydrothermal liquefaction (HTL) has potential for converting abundant wet organic wastes into renewable fuels. Because HTL consists of a complex reaction network, deterministic, physics-based prediction of its biocrude yield is prohibitively difficult. Data-driven methods provide an alternative to the physics-based approach; however, rigorous testing must be performed to ensure the accuracy of predictions made by data-driven methods. To this end, a data set was assembled consisting of 570 data points appearing in the open literature. The data set was divided into training, validation, and test sub-sets and used for evaluating different machine learning regression approaches to predict biocrude yield. Among the tested algorithms, Random Forest and eXtreme Gradient Boosting (XGBoost) predicted biocrude yields in a test set that had not been used for training with the greatest accuracy, with root mean square errors (RMSE) of 8.34 and 8.57, respectively. Further refinement of the Random Forest model reduced its RMSE to 8.07. In comparison, predictions of a series of literature models resulted in RMSE ranging from 9.16 in the most accurate case to 27.6 in the least accurate; most literature models yielded RMSE values > 10. Using biocrude yield predictions from the most accurate Random Forest model and a probabilistic economic analysis found that the model accuracy is sufficient to prioritize allocation of resources based on projected minimum fuel selling price. In our report the models and analysis represent a major advance in the ability to use readily available data to predict biocrude yields on new feedstocks that have not previously been studied.

42 ENGINEERING↗
DOE OSTI2021

Towards ternary binders involving limestone additions — A review

The review summarises literature to examine the transition from portland limestone cement system to composite ternary binder systems involving limestone. Interest in limestone addition as an ideal component in multicomponent binder systems has surged as evident from the large volume of literature published in the recent past. A ternary blended system, with co-substitution of limestone, has the potential to complement the reaction of the supplementary cementitious materials (SCMs). The direct addition of limestone powder helps to attain higher substitution levels of portland cement clinker, improve early age properties, and supplement SCM's reactivity. However, the dilution of hydrates could hamper the long-term benefits. In this review, the interaction of fine limestone is classified and elaborated under two broad umbrellas: physical and chemical interactions. The physical interactions can manifest in three ways, namely, filler action, shearing action and improved packing, which alters reaction rate and extent at early ages. The chemical interactions also modify the reaction kinetics and phase assemblage due to nucleation of C-S-H on calcite surfaces, preservation of the ettringite phase and formation of carboaluminates. Two different forms of carboaluminate hydrates — hemicarboaluminate and mono-carboaluminate can be present in the hydrate matrix depending on the balance between carbonate ions and aluminates in the pore solution. Several factors such as replacement level, particle size, choice of SCM, its reactivity and reactive aluminates content, sulphate levels, curing temperature, and duration of curing can control the carboaluminate formation, reaction degree of SCMs and chemical interaction from limestone additions. A combination of physical and chemical effects makes fine limestone a potential material for co-substitution with aluminosilicate based SCMs, mainly fly ash, slag, and calcined clay. In this review, the factors affecting limestone-SCM composites are summarised based on a detailed literature survey. The effects of SCM-limestone cement composites on hydration kinetics, reaction chemistry, the reactivity of SCMs, the stability of hydrated phases, and contribution to the physical structure development and macroscopic properties by evaluating hydration and mechanical properties are discussed. The importance of AFm (Al{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}-mono) phases in various deterioration mechanisms in concrete and their influence on performance characteristics in different exposure environment is critically appraised.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends

Cyclopentane is a suitable naphthene, or cycloalkane, in a palette for multi-component gasoline surrogate fuels due to its presence in market fuels and its relevance to alkyl substituted cyclopentanes also present. However, the previous oxidation studies of cyclopentane have primarily focused on neat mixtures. Blending cyclopentane with dimethyl ether in this work therefore serves to inform our understanding of, and improve predictive models for, multi-component mixtures. Here, the auto-ignition of cyclopentane/dimethyl ether blends was studied in a high-pressure shock tube and in a rapid compression machine. A wide range of temperatures (650 – 1350 K) and elevated pressures of 20 and 40 bar were studied at equivalence ratios of 0.5, 1.0 and 2.0 in air for two blending ratios (30/70 and 70/30 mole% cyclopentane/di-methyl ether mixtures). A detailed kinetic model for cyclopentane was revised to capture the measured ignition delay times and apparent heat release rates in this study. Literature ignition delay time, jet-stirred reactor, and laminar burning velocity measurements of neat cyclopentane were used as additional validation. Improvements to the kinetic model were based on recent literature studies related to sub-models including cyclopentene and cyclopentadiene which allowed the removal of previous local rate-constant optimizations. Low temperature reactivity of cyclopentane was found to be controlled by the branching ratio between concerted elimination of HO͘ 2 and the strained formation of Q&#775OOH radicals in agreement with previous studies. In this study, the low branching ratio of Q&#775OOH formation increases the influence of a competing consumption pathway for cyclopentyl-peroxy (CPTO͘ 2 J) radicals. The sensitivity of the simulated ignition delay times to the formation of cyclopentyl hydroperoxide (CPTO 2 H), from CPTO͘ 2 J and HO͘ 2 , is discussed. The current model is used to analyze the influence of dimethyl ether on the reactivity of cyclopentane in the context of previous literature studies of dimethyl ether binary blends with ethanol and toluene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗