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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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At least 325 records · Page 18

Solar cell contacts: quantifying the impact of interfacial layers on selectivity, recombination, charge transfer, and V oc

Interfacial layers (IFLs) are ubiquitous in solar cells, but their precise impact on carrier transfer rates and the relation of these rates to performance metrics and the concepts of selectivity and recombination is lacking. We report the use of a well-defined interdigitated back-contact (IBC) silicon solar cell to determine the precise role of such IFLs. We characterize the action of the common IFL spiro-OMeTAD by making it a third contact to the IBC cell. This architecture creates three solar cells within a single structure that, with numerical simulation, provide the exchange current densities (i.e., charge transfer rates) for electrons ( J 0n ) and holes ( J 0p ) and the quasi Fermi-level splitting in the absorber, which measures the balance of generation and recombination. Further, we describe the relation of V oc to contact recombination, the asymmetry in electron/hole collection rates at a single contact (contact selectivity), and the asymmetry in collection rates of the same carrier at separate contacts (carrier selectivity). Relative to bare gold, neat spiro-OMeTAD reduces J 0n and J 0p (their geometric mean ( J 0n J 0p ) 0.5 decreases by 10 4 ), decreasing contact recombination. Addition of the common dopant Li-TFSI and air increase J 0p / J 0n by 10 6 with little effect on ( J 0n J 0p ) 0.5 , increasing contact hole selectivity. The significant increase in V oc observed by introducing spiro-OMeTAD/Li-TFSI IFLs into the cells studied, however, is due to an increase in the carrier selectivity rather than the contact selectivity or recombination of the spiro-OMeTAD-modified contact. Operando measurements further show voltage-dependent changes in the J 0 s, demonstrating that spiro-OMeTAD contributes to hysteresis. Broader context : Solar cells operate by photogenerating excess charge carriers in an absorber material and, in competition with recombination, asymmetrically extracting them at so-called carrier-selective contacts, one that ideally collects only electrons and the other, only holes. Particularly in emerging photovoltaics such as perovskites, thin layers of organic semiconductors or related materials are introduced between the absorber and contact to improve power conversion efficiency. In terms of interfacial charge transfer, a prevailing view is that such interfacial layers improve performance by helping block the collection of the undesired carrier, considered a form of recombination. We use a novel platform to study the simultaneous impact of spiro-OMeTAD, a common interfacial layer, on the collection of electrons, the collection of holes, and on the recombination of electrons and holes. We quantitatively demonstrate that spiro-OMeTAD layers indeed passivate the contact toward recombination, but that larger improvements in the open-circuit voltage, a key cell metric, can come not only from this but also from increasing the asymmetry of the collection of electrons in the system. Further, operando measurements show transient changes in the properties of spiro-OMeTAD which suggest that it contributes to hysteresis phenomena commonly observed in perovskite and other solar cells.

36 MATERIALS SCIENCE↗

Using projection operators with maximum overlap methods to simplify challenging self-consistent field optimization

Maximum overlap methods are effective tools for optimizing challenging ground- and excited-state wave functions using self-consistent field models such as Hartree-Fock and Kohn-Sham density functional theory. Nevertheless, such models have shown significant sensitivity to the user-defined initial guess of the target wave function. Here in this work, a projection operator framework is defined and used to provide a metric for non-aufbau orbital selection in maximum-overlap-methods. The resulting algorithms, termed the Projection-based Maximum Overlap Method (PMOM) and Projection-based Initial Maximum Overlap Method (PIMOM), are shown to perform exceptionally well when using simple user-defined target solutions based on occupied/virtual molecular orbital permutations. This work also presents a new metric that provides a simple and conceptually convenient measure of agreement between the desired target and the current or final SCF results during a calculation employing a maximum-overlap method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerating manufacturing for biomass conversion via integrated process and bench digitalization: a perspective

We present a perspective for accelerating biomass manufacturing via digitalization. We summarize the challenges for manufacturing and identify areas where digitalization can help. A profound potential in using lignocellulosic biomass and renewable feedstocks, in general, is to produce new molecules and products with unmatched properties that have no analog in traditional refineries. Discovering such performance-advantaged molecules and the paths and processes to make them rapidly and systematically can transform manufacturing practices. Furthermore, we discuss retrosynthetic approaches, text mining, natural language processing, and modern machine learning methods to enable digitalization. Laboratory and multiscale computation automation via active learning are crucial to complement existing literature and expedite discovery and valuable data collection without a human in the loop. Such data can help process simulation and optimization select the most promising processes and molecules according to economic, environmental, and societal metrics. We propose the close integration between bench and process scale models and data to exploit the low dimensionality of the data and transform the manufacturing for renewable feedstocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aging and Lifetimes Milestone 7777, G.C. #4: Assess the ability of MRI to identify chemical and mechanical heterogeneity in polymers at various length scales

Polysiloxane foams utilized for stockpile applications experience changes over time induced by exposure to thermal, radiative, and mechanical stresses. The interplay of these stresses can lead to chemical and/or physical changes in the polymer, such as compression set and material degradation over time. Understanding the mechanisms of material aging and identifying material degradation prior to failure are critical in maintaining the integrity of the nuclear stockpile. Our prior work using solid-state NMR spectroscopy has shown that we can observe signatures of thermal, radiative, and mechanical aging of silicone elastomers using differences in NMR parameters such as relaxation (T1 and T2). However, most of our measurements have been on bulk samples and have only provided an average aging behavior of each sample. Here, we have used magnetic resonance imaging (MRI) to provide relaxation-weighted images that are a metric of structural heterogeneity (cross-link density) in polymers across multiple length scales. In addition, the larger sample size that can be accommodated in animal MRI scanners has the potential to make the technique adaptable to detecting heterogeneities whole parts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

JUSTIFI: Open-Source Software for Identifying and Quantifying Non-Energy Benefits

The integration of Non-Energy Benefits (NEBs) into energy efficiency initiatives is essential for operational excellence in manufacturing. This presentation and software demonstration explore how quantifying NEBs such as improved safety, increased quality, and enhanced productivity, can strengthen business cases for energy investments, leading to better payback periods and alignment with organizational goals. We introduce JUSTIFI, a free, open-source software by the U.S. Department of Energy that aids in the measurement of NEBs and enhances understanding of their impact on Key Performance Indicators (KPIs) and return on investment (ROI). JUSTIFI features an intuitive interface for identifying NEBs, customizable reporting tools, and comprehensive system cataloging, empowering companies to effectively communicate the value of energy efficiency projects. By leveraging this innovative tool, organizations can better navigate energy efficiency assessments and drive support for their energy management initiatives.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Structural determination of a full-length plant cellulose synthase informed by experimental and in silico methods

Three-dimensional structure determination and prediction of proteins with intrinsically disordered regions, unstructured regions, conformational flexibility, and lacking homologous structures are challenging. We previously predicted and refined an in silico structure of a plant cellulose synthase from cotton (GhCESA1), and more recently, cryo-electron microscopy (cryo-EM) has resolved a majority of the lengths of two CESA structures from poplar (PttCESA8) and cotton (GhCESA7). However, 26–30% of these cryo-EM structures remain unresolved, including the N-terminal domain, half of the class-specific region, the gating loop region, and the C-terminal domain. Here, we describe the generation and evaluation of a full-length hybrid GhCESA1 model based on this cryo-EM PttCESA8 structure, with unresolved regions completed using this in silico refined GhCESA1 model. All-atom molecular dynamics simulations and subsequent energy minimizations were performed for the in silico and hybrid GhCESA1 models in a lipid bilayer-water-ion environment, and structural stability, dynamics, energetics, contacts, and quality were evaluated. The unresolved regions were found to be the most dynamic, in agreement with their poor electron density with cryo-EM. The hybrid model exhibited a higher total secondary structure content, more favorable intra-protein and protein-lipid interaction energies, and improved quality metrics. Moreover, hydrogen bonding was revealed to be a primary mechanism for intra-protein and protein-lipid contacts. These results demonstrate that in silico structure prediction and refinement may be useful to augment experimental structure determination, especially for disordered and unstructured regions. Furthermore, this hybrid model can serve as a steppingstone to derive full-length homology models of other CESAs found in more experimentally tractable organisms.

59 BASIC BIOLOGICAL SCIENCES↗

Peru Water Resources: Integrating NASA Earth Observations into Water Resource Planning and Management in Perus La Libertad Region

Developing countries often struggle with providing water security and sanitation services to their populations. An important aspect of improving security and sanitation is developing a comprehensive understanding of the country's water budget. Water For People, a non-profit organization dedicated to providing clean drinking water, is working with the Peruvian government to develop a water budget for the La Libertad region of Peru which includes the creation of an extensive watershed management plan. Currently, the data archive of the necessary variables to create the water management plan is extremely limited. Implementing NASA Earth observations has bolstered the dataset being used by Water For People, and the METRIC (Mapping EvapoTranspiration at High Resolution and Internalized Calibration) model has allowed for the estimation of the evapotranspiration values for the region. Landsat 8 imagery and the DEM (Digital Elevation Model) from the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) sensor onboard Terra were used to derive the land cover information, and were used in conjunction with local weather data of Cascas from Peru's National Meteorological and Hydrological Service (SENAMHI). Python was used to combine input variables and METRIC model calculations to approximate the evapotranspiration values for the Ochape sub-basin of the Chicama River watershed. Once calculated, the evapotranspiration values and methodology were shared Water For People to help supplement their decision support tools in the La Libertad region of Peru and potentially apply the methodology in other areas of need.

Padgett-Vasquez, Steve↗

How to Educate Decision Makers on the Value and Necessity of Modal Testing and Model Correlation: Tips for Young Engineers

Engineers need to effectively communicate the justification and value of their modal testing and model correlation in terminology familiar to decision makers as it relates to the program’s risk tolerance. This communication must relate to the program’s risk tolerance and the metrics used to judge the performance of both the program and individual decision makers. The challenge is the terminologies familiar to engineers and decision makers are quite different and seemingly unrelated. The engineering profession has developed a specific terminology to solve highly technical issues, which are many times themselves unique to very specific engineering problems. It is all too easy for engineers to believe that everyone in their organization, including the decision makers, has an intrinsic understanding of what they do and the value it brings to the program’s success. This is especially true for young engineers who have recently spent the last four plus years in an academic engineering learning environment, which has a highly technical research oriented atmosphere. Effective communication with decision makers is increasingly important as the technical breadth and practical program and project experience level for up and coming decision makers diminishes. It is not unusual for the decision makers to have technical knowledge in a domain different from structural dynamics (e.g., electronics or systems). Competition among satellite manufactures has increased the focus on programmatic cost and ability to deliver on schedule. NASA programs are also seeing more restrictive programmatic cost and schedule constraints, which impact both analysis and testing. It should also be noted that a comprehensive suite of tests are required to verify a satellite’s design capability with some margin. These tests include static strength verification tests, shock, acoustic, and vibration tests (sine and random) of systems, subsystems, and components. Each of these verification tests provide opportunities for model correlation and risk reduction. It is important to recognize dynamic loads/modal test models may not include all of the flight hardware (i.e., harness, coax, waveguides, connectors, etc.) and the previously mentioned tests are still required for qualification/verification of the design. This paper provides tips to young engineers on how to bridge this communications gap, have a better understanding of the environment in which decision makers operate, and assist them to better support successful missions. While this paper primarily focuses on modal testing and model correlation as related to spacecraft missions, the concepts and recommendations presented here are equally applicable to other fields such as aeronautics, automotive, power generation, etc.

Decision Maker↗

How to Educate Decision Makers on the Value and Necessity of Modal Testing and Model Correlation: Tips for Young Engineers

Engineers need to effectively communicate the justification and value of their modal testing and model correlation in terminology familiar to decision makers as it relates to the program’s risk tolerance. This communication must relate to the program’s risk tolerance and the metrics used to judge the performance of both the program and individual decision makers. The challenge is the terminologies familiar to engineers and decision makers are quite different and seemingly unrelated. The engineering profession has developed a specific terminology to solve highly technical issues, which are many times themselves unique to very specific engineering problems. It is all too easy for engineers to believe that everyone in their organization, including the decision makers, has an intrinsic understanding of what they do and the value it brings to the program’s success. This is especially true for young engineers who have recently spent the last four plus years in an academic engineering learning environment, which has a highly technical research oriented atmosphere. Effective communication with decision makers is increasingly important as the technical breadth and practical program and project experience level for up and coming decision makers diminishes. It is not unusual for the decision makers to have technical knowledge in a domain different from structural dynamics (e.g., electronics or systems). Competition among satellite manufactures has increased the focus on programmatic cost and ability to deliver on schedule. NASA programs are also seeing more restrictive programmatic cost and schedule constraints, which impact both analysis and testing. It should also be noted that a comprehensive suite of tests are required to verify a satellite’s design capability with some margin. These tests include static strength verification tests, shock, acoustic, and vibration tests (sine and random) of systems, subsystems, and components. Each of these verification tests provide opportunities for model correlation and risk reduction. It is important to recognize dynamic loads/modal test models may not include all of the flight hardware (i.e., harness, coax, waveguides, connectors, etc.) and the previously mentioned tests are still required for qualification/verification of the design. This paper provides tips to young engineers on how to bridge this communications gap, have a better understanding of the environment in which decision makers operate, and assist them to better support successful missions. While this paper primarily focuses on modal testing and model correlation as related to spacecraft missions, the concepts and recommendations presented here are equally applicable to other fields such as aeronautics, automotive, power generation, etc.

Decision Maker↗

4.3.1.1 TCF: Recovery of Lithium from Geothermal Brine with Lithium-Aluminum Layered Double Hydroxide Chloride Sorbents

Lithium has gained importance as a near-critical element for various energy storage applications, and efforts are ongoing to develop simple and cost-effective methods for lithium recovery. For instance, in a typical 50 MW geothermal power plant in the Salton Sea, United States, approximately 15,000 metric tons of Li 2 CO 3 or LiOH salts can be produced annually by recovering and converting LiCl from geothermal plant waste solutions. Currently, approximately 390 MW of geothermal power is generated in the Salton Sea Known Geothermal Resource Area, which corresponds to potential Li 2 CO 3 production of approximately 120,000 metric tons per year. This makes lithium recovery from geothermal brines a promising, potentially low-cost source of lithium, contributing significantly to the global supply chain.

15 GEOTHERMAL ENERGY↗

The Present Habitability Potential of Gale Crater: What We Have Learned So Far From Mars Science Laboratory

The Mars Science Laboratory mission has comprehensively interrogated the surface environment of Mars as it explores Gale Crater. Both chemical and physical attributes of the present environment have been measured over the course of the mission, enabling us to compare the present state of the martian surface with the environmental requirements of prokaryotic microbes. While this approach does not exclude the possibility of martian life that may have evolved to adapt to the present conditions, it is advantageous in that it allows us to evaluate environmental requirements of known life and also provide insight into the likelihood of forward contamination by Earth organisms with the comparison of their environmental requirements with the measured attributes of the environment at Gale Crater. We have already modeled a paleoenvironment with high habitability potential (HP) based upon chemistry, mineralogy and other geological evidence such as sedimentary structures and larger scale geomorphology [1]. In this report, we turn our attention to the present HP of the Yellowknife Bay area, including the importance of the physical environmental metrics such as atmospheric pressure, air and ground temperature, ionizing radiation, wind speed and direction, slope, etc.

Conrad, P. G.↗

Unlocking the Future of Aircraft Manufacturing: The Environmental Benefits of Laser Patterning for Surface Enhancement of Aircraft-Certified Alloys

Surface protection and functional modification of aircraft-certified aluminum alloys are essential for corrosion resistance, durability, and long-term airworthiness. At the same time, increasingly restrictive environmental regulations motivate the development of alternatives to legacy wet-chemical surface treatments. This study presents an integrated assessment of ultrafast femtosecond laser surface texturing as a surface functionalization approach for Aluminum 6061 alloys within an aerospace manufacturing and sustainability context. Ultrashort-pulse laser processing enables controlled micro- and nano-scale surface topographical modification with limited thermal impact, allowing adjustment of wettability and surface functionality while preserving bulk material integrity. As a dry and contactless process, femtosecond laser treatment eliminates the use of hazardous chemicals, reduces consumable inputs, and generates minimal secondary waste. A streamlined cradle-to-gate life cycle assessment conducted in accordance with ISO 14040/14044 indicates a lower global-warming potential per functional unit compared with conventional surface treatments, including anodization, plasma-assisted coatings, and organic coating systems. Complementary qualitative analyses addressing environmental health and safety, supply-chain risk, and ESG alignment indicate potential advantages related to occupational safety, regulatory compliance, waste management, and end-of-life recyclability. The investigation is performed on planar Aluminum 6061 reference surfaces with a treated area of 25 mm 2 , providing a controlled laboratory-scale basis for analyzing process behavior, functional surface modification, and associated environmental metrics. Within this defined scope, the results support further evaluation of femtosecond laser surface texturing as a surface engineering option for future aerospace manufacturing.

corrosion resistance↗

Summary of NDC Capacity Building Workshop and Regional Seismic Travel Time (RSTT) in combination with Data Sharing and Integration Training

The NNSA Seismic Cooperation Program (SCP) sponsored Stephen Myers (LLNL), Michael Begnaud (LANL), Brian Young (SNL) and Istvan Bondar (Research Center for Astronomy and Earth Sciences, Hungary) to serve as a presenters/trainers at the “NDC Capacity Building Workshop and Regional Seismic Travel Time (RSTT) in combination with Data Sharing and Integration Training” September 4-8 2022 in Muscat, Oman (See Appendix A for the agenda). The workshop and training (workshop from here forward) was organized by the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) Provisional Technical Secretariat (PTS). The first half of the week was devoted to NDC workshop activities, and the second half was devoted to RSTT training. Fifty-five participants from 27 countries and the CTBTO-PTS attended the 5-day workshop (See Appendix B for list of participants and countries of origin). Presentations from the PTS described the International Monitoring System (IMS), International Data Centre (IDC) products, and metrics of regional data utilization. Contributed presentations from each country’s scientists included descriptions of regional and national networks, methods of data analysis, and needs for material and technical assistance. Training included an overview of the RSTT method and instruction on how to locate seismic events with the iLoc program, which utilizes RSTT travel times to reduce bias in event location estimates. Methods of seismic tomography and the need for a high-quality tomographic set, including seismological “ground truth”, were emphasized. Seismological “ground truth” or “GT” is a term that has come to mean both events with known location and events with well-characterized locations that are estimated using seismological data, typically with epicenter accuracy of 5 km or better. Notably, the instructional platform has migrated from UNIX shell scripts to Jupyter Notebooks. Jupyter Notebooks have the advantage being more visually intuitive, including display of graphics within the notebook. Each notebook includes every processing step that participants need to reproduce the entire exercise.

58 GEOSCIENCES↗

Building Analytics Tool Deployment at Scale: Benefits, Costs, and Deployment Practices

Buildings are becoming more data-rich. Building analytics tools, including energy information systems (EIS) and fault detection and diagnostic (FDD) tools, have emerged to enable building operators to translate large amounts of time-series data into actionable findings to achieve energy and non-energy benefits. To expedite data analytics adoption and facilitate technology innovation, building owners, technology developers, and researchers need reliable cost–benefit data and evidence-based guidance on deployment practices. This paper fulfills these needs with the energy use and survey data from a wide-ranging research and industry partnership program that covers thousands of buildings installed with analytics tools. The paper indicates that after two years of implementation, organizations using FDD tools and EIS tools achieved 9% and 3% median annual energy savings, respectively. The median base cost and annual recurring cost for FDD are USD 0.65 per square meter (m2) (USD 0.06 per square foot [ft2]) and USD 0.22 per m2 (USD 0.02 per ft2), and are USD 0.11 per m2 (USD 0.01 per ft2) and USD 0.11 per m2 (USD 0.01 per ft2) for EIS. The common metrics and analyses that are used in the tools to support the discovery of energy efficiency measures are summarized in detail. Two best practice examples identified to maximize the benefits of tool implementation are also presented. Opportunities to advance the state of technology include simplified data integration and management, and more efficient processes for acting on analytics outputs. Compared with previous efforts in the literature, the findings presented in this paper demonstrate the effectiveness of building analytics tools with the largest known dataset.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Defining a Mechanism of Educational Interface Between NASA Life Sciences the Nation's Students

Harnessing our greatest national resource, as represented by the nation's students, will require a thoughtful, well developed and administered program that includes precise, executable strategies and valid evaluation tools. Responding to a national education outreach priority, the National Aeronautics and Space Administration's Life and Biomedical Sciences and Applications Division has initiated a process or organizing and implementing various strategies through a steering committee that includes representatives from Headquarters and three field centers with major Life Sciences programs. The mandate of the Life Sciences Education Outreach Steering Committee is to develop ways of communicating space life science issues to America's students through the nation's teachers by curriculum enhancement and direct participation in the education process with an emphasis in the primary and secondary schools. Metrics are also developed for each individually defined process so that the mechanis can be continuously refined and improved.

Chamberland, D.↗

The Globally Coherent Pattern of Autumn Monsoon Precipitation

Over most tropical land areas, the annual peak in precipitation occurs during summer, associated with the local monsoon circulation. However, in some coastal regions in the tropics the bulk of annual precipitation occurs in autumn, after the low-level summer monsoon westerlies have abated. Examples include the Nordeste region of Brazil, southeastern India and Sri Lanka, and coastal Tanzania. Unlike equatorial regions, they receive little rainfall during local spring. Such regions are present along the eastern coasts of nearly all continents, suggesting that they comprise a coherent yet previously unrecognized global phenomenon. In this study, we identify eight tropical locations that experience an “autumn monsoon” and show that this unusual seasonal cycle is generated by similar mechanisms in all of these. When these regions receive their peak rainfall, they lie poleward of the ITCZ in easterly low-level winds. The spatial structure of precipitation in these regions can be explained by their placement to the east of mountain ranges that organize moist convection on their windward sides. However, orographic forcing alone cannot explain their unique seasonal cycle: despite similarities in wind direction, surface humidity, and sea surface temperatures (SSTs) between autumn and spring, these regions receive significantly more rainfall in autumn than in spring. Here, we show that this is due to differences in the large-scale atmospheric stability between the equinoctial seasons, which can be captured by a relative SST metric and is influenced by SSTs in the remote eastern upwelling zones of the Pacific and Atlantic Oceans.

54 ENVIRONMENTAL SCIENCES↗

Habitability Assessment at Gale Crater: Implications from Initial Results

Mars Science Laboratory has made measurements that contribute to our assessment of habitability potential at Gale Crater. Campaign organization into a consistent set of measurable parameters allows us to rank the relative habitability potential of sites we study, ultimately laying a foundation for a global context inclusive of past and future Mars mission observations. Chemical, physical, geological and geographic attributes shape environments. Isolated measurements of these factors may be insufficient to deem an environment habitable, but the sum of measurements can help predict locations with greater or lesser habitability potential. Metrics for habitability assessment based on field work at sites sharing features analogous to Mars have previously been suggested. Grouping these metrics helps us to develop an index for their application to habitability assessment. The index is comprised of the weighted values for four groups of parameters, the habitability threshold for each is to be determined.

Conrad, Pamela G.↗