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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Examining Ni Coarsening in Solid Oxide Electrolysis Cells by Characterizing NiH on Ni (111) Using a Combined Theoretical Approach

Ni coarsening in the fuel electrode of solid oxide cells (SOCs) is an important degradation mechanism. In this talk, density-functional theory and kinetic Monte Carlo methods are used to explore the hypothesis that the surface diffusion of NiH on Ni may promote Ni coarsening in the SOC operated in electrolysis cell mode. Using both methods and defining the diffusivity as the product of the surface coverage and single-molecule diffusivity, the diffusivity of NiH on Ni (111) is found to be sufficiently large under a significant overpotential to support the above hypothesis. Also, the time between the formation and dissociation of NiH on Ni (111) is predicted to be short at low coverages of H on Ni (111). Thus, significant progress is made toward developing a model of Ni coarsening considering both molecular and dissociated forms of NiH on Ni (111).

density functional theory (DFT)↗
DOE OSTI2025

First-Principles Thermodynamic Assessments of Sr-Containing Secondary Phase Formation in La1-xSrxMnO3±δ Perovskites for Solid Oxide Cell Applications

Sr-secondary phase formation is a potentially significant degradation mode threatening solid-oxide cell (SOC) commercial viability. A first-principles thermodynamic study was performed for rhombohedral perovskite (La1-xSrx) MnO3±δ (LSM) to assess its stability against Sr secondary phase formation in SOC applications. In this work, the Sr secondary phase formation reaction free energies were determined by combining ab initio lattice dynamics calculations for the solid phases and an ab initio thermodynamics approach for the gas phases. Furthermore, this approach goes beyond previous thermodynamic modeling studies by integrating first-principles based point-defect equilibria into the analyses. The modeling results indicate an increased tendency to form SrO oxide from LSM upon decreasing the oxygen partial pressure. Additionally, enhancing factors to form the Sr-related secondary phase from the associated SrO activity in LSM are further quantified by considering the equilibrium of SrO reacting with contaminant gas species as a function of temperature and gas pressure.

Defect and phase stability↗
DOE OSTI2025

In-Situ FTIR Detection of Transition Metal (TM)-Ion Dissolution From Cathodes in Li-Ion Batteries

Transition metal (TM) ions, commonly Ni and Mn, play a crucial role in Li-ion battery cathodes as the reaction centers for rapid redox reactions. A major challenge with TM-based cathodes is capacity degradation, particularly at higher operating voltages. This degradation is closely linked to the dissolution of TMs from the cathode materials and their subsequent deposition on the anode. This process not only modifies the surface structure of the cathode but, more significantly, alters the SEI composition on the anode [1-2]. The dissolution of TMs cations into a liquid electrolyte from cathode materials, such as Mn-ion dissolution from Mn-rich cathode (LMR), is detrimental to the cycling performance of Li-ion batteries [3-4]. Much attention has been paid to this issue but there remains a lack of characterization techniques which can detect the TM-ion dissolution from the cathode during electrochemical measurements. In our study, we use in-situ ATR-FTIR as an effective technique to probe the TM-ion dissolution from the cathode. We have first demonstrated the detrimental effects of TM ions on the electrochemical performance of Li-ion batteries by adding a small amount of TM salt (50 mM Mn(PF6)) to the electrolyte of a Li-ion coin cell with LFP and graphite electrode. We observed a rapid capacity fade after the first delithiation cycle. To investigate TM ion dissolution, we established a baseline IR spectrum for various TM solvation states (such as Mn and Ni) by measuring concentration-dependent IR spectra. This baseline spectrum helps us detect TM ion dissolution during battery cycling. In this work, we discuss in detail the effect of TM ions on the electrochemical performance of Li-ion batteries and the detection of TM ions during battery cycling using in-situ FTIR spectroscopy. We will compare TM dissolution between coated and uncoated cathodes to examine the effect of cathode coatings to mitigate degradation due to TM dissolution and cross-over from cathode to anode. References: (1) Zhan, C.; Wu, T.; Lu, J.; Amine, K. Dissolution, migration, anddeposition of transition metal ions in Li-ion batteries exemplified byMn-based cathodes - a critical review. Energy Environ. Sci. 2018, 11,243-257. (2) Jung, R.; Linsenmann, F.; Thomas, R.; Wandt, J.; Solchenbach,S.; Maglia, F.; Stinner, C.; Tromp, M.; Gasteiger, H. A. Nickel,Manganese, and Cobalt Dissolution from Ni-Rich NMC and TheirEffects on NMC622-Graphite Cells. J. Electrochem. Soc. 2019, 166,A378-A389. (3) Zhao, L.; Chenard, E.; Capraz, O. O.; Sottos, N. R.; White, S.R. Direct Detection of Manganese Ions in Organic Electrolyte by UV-Vis Spectroscopy. J. Electrochem. Soc. 2018, 165, A345-A348 (4) Zhang, Y.; Hu, A.; Xia, D.; Hwang, S.; Sainio, S.; Nordlund, D.;Michel, F. M.; Moore, R. B.; Li, L.; Lin, F. Operando characterization and regulation of metal dissolution and redeposition dynamics nearbattery electrode surface. Nat. Nanotechnol. 2023, 18, 790.

25 ENERGY STORAGE↗
DOE OSTI2026

Beyond sequence similarity: toward function-based screening of nucleic acid synthesis

Synthetic nucleic acids are a key input to modern biotechnology, yet they represent dual-use materials that require robust screening to mitigate biosecurity risks. The prevailing screening paradigm, which identifies sequences of concern (SoCs) through sequence similarity to controlled pathogens and toxins, may not fully capture risks posed by AI tools that can decouple biomolecular function from reliance on known sequences. Rapidly advancing biodesign capabilities enable the generation of genes and proteins that might evade sequence-based detection. We highlight the critical need for function-based screening approaches that can detect sequences capable of hazardous biological functions, regardless of similarity to known SoCs. We examine the feasibility of function-based screening with an initial focus on proteins, arguing that, while protein sequence space is vast, biologically functional proteins are significantly constrained by biophysical and biochemical requirements that can be learned and modeled. We propose a concrete implementation framework organized along a continuum of complexity, starting with toxins as the most tractable targets before expanding to more complex pathogenic functions. We then discuss open challenges and describe a research and development strategy to address them.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

A Software/Hardware Framework for Efficient and Safe Emergency Response in Post-Crash Scenarios of Battery Electric Vehicles

The adoption rate of battery electric vehicles (EVs) is rapidly increasing. Electric vehicles differ significantly from conventional internal combustion engine vehicles and vary widely across different manufacturers. Emergency responders (ERs) and recovery personnel may have less experience with EVs and lack timely access to critical information such as the extent of the stranded energy present, high-voltage safety hazards, and post-crash handling procedures in a user-friendly manner. This paper presents a software/hardware interactive tool named Electric Vehicle Information for Incident Response Solutions (EVIRS) to aid in the quick access to emergency response and recovery information. The current prototype of EVIRS identifies EVs using the VIN or Make, Model, and Year, and offers several useful features for ERs and recovery personnel. These features include integration and easy access to emergency response procedures tailored to an identified EV, vehicle structural schematics, the quick identification of battery pack specifications, and more. For EVs that are not severely damaged, EVIRS can perform calculations to estimate stranded energy in the EV’s battery and discharge time for various power loads using either EV dashboard information or operational data accessed through the CAN interface. Knowledge of this information may be helpful in the post-crash handling, management, and storage of an EV. The functionality and accuracy of EVIRS were demonstrated through laboratory tests using a 2021 Ford Mach-E and associated data acquisition system. The results indicated that when the remaining driving range was used as an input, EVIRS was able to estimate the pack voltage with an error of less than 3 V. Conversely, when pack voltage was used as an input, the estimated state of charge (SOC) error was less than 5% within the range of 30–90% SOC. Additionally, other features, such as retrieving emergency response guides for identified EVs and accessing lessons learned from archived incidents, have been successfully demonstrated through EVIRS for quick access. EVIRS can be a valuable tool for emergency responders and recovery personnel, both in action and during offline training, by providing crucial information related to assessing EV/battery safety risks, appropriate handling, de-energizing, transport, and storage in an integrated and user-friendly manner.

25 ENERGY STORAGE↗
DOE OSTI2025

Data from: Soil carbon change in intensive agriculture after 25 years of conservation management

Changes in soil organic carbon (SOC) and nitrogen (SON) are strongly affected by land management, but few long-term comparative studies have surveyed changes throughout the whole soil profile. We quantified 25-year SOC and SON changes to 1 m in 10 replicate ecosystems at an Upper Midwest, USA site. We compared four annual cropping systems in maize ( Zea mays )-soybean ( Glycine max)-winter wheat ( Triticum aestivum ) rotations, each managed differently (Conventional, No-till, Reduced input, and Biologically based); in three managed perennial systems (hybrid Poplar ( Populus × euramericana ), Alfalfa ( Medicago sativa ), and Conifer ( Pinus spp.); and in three successional systems (Early, Mid- and Late succession undergoing a gradual change in species composition and structure over time).

agricultural sciences↗
DOE OSTI2025

CERF: IM3 Projected Western US Power Plant Locations

Overview The Capacity Expansion Regional Feasibility (CERF) model is an open-source geospatial python package that provides new power plant locations at a 1km resolution. The model ingests U.S. state or regional-scale electricity system capacity expansion plans, such as those produced by the Global Change Analysis Model (GCAM-USA), and identifies feasible, site-specific locations for individual new power plants (renewable and non-renewable). CERF combines high-resolution geospatial suitability analyses with an economic algorithm that selects individual plant siting locations based on grid interconnection costs and the locational marginal value of new generation. The model incorporates a wide range of dynamic constraints and opportunities, such as protected lands, population density, existing infrastructure, and water availability. This dataset provides CERF power plant siting results for IM3 Phase 2 simulations across eight different scenarios for the Western US through 2055. The scenarios include combinations of two Shared Socioeconomic Pathways (SSP3 and SSP5) with four high-resolution climate projections specific to the United States (see, https://tgw-data.msdlive.org/). These climate projections include "hotter" and "cooler" variants for two Representative Concentration Pathways (RCP4.5 and RCP8.5). The resulting eight simulations are: rcp45cooler_ssp3 rcp45cooler_ssp5 rcp45hotter_ssp3 rcp45hotter_ssp5 rcp85cooler_ssp3 rcp85cooler_ssp5 rcp85hotter_ssp3 rcp85hotter_ssp5 CERF siting results in this dataset correspond to capacity expansion plans in the GCAM-USA IM3 Phase 2 simulation data and are available for each of the above scenarios. Data Details Temporal Range: 2015-2055 in 5-year timesteps. Note that 2015 is the experiment base year and 2020 and beyond represent model simulation years. Spatial Range: Plant locations are provided for the eleven states in the Western US including Arizona, California, Colorado, Idaho, Montana, New Mexico, Nevada, Oregon, Utah, Washington, and Wyoming. Spatial Resolution: 1 km-squared, provided in x and y coordinates Geospatial Projection: Albers Equal Area Conic (ESRI:102003) File Type: csv The dataset contains subdirectories for each of the eight scenarios described in the overview. Each scenario folder contains two subfolders with the following information: 1. Power Plant Data This directory contains a single .csv file of power plant locations for both pre-existing (non-CERF sited plants in operation in 2015) and new (CERF-sited) power plants across the temporal range along with additional CERF model output parameters for CERF-sited plants. Plant with a siting year earlier than 2020 correspond to facilities that are operational leading into the first timestep CERF simulation. For a more detailed description of CERF model output parameters, see the CERF model documentation. Note that the cerf_plant_id parameter is unique within each scenario file but not across scenario files. Parameter Descriptions scenario - Name of scenario cerf_plant_id - Unique siting identifier cerf_sited - If True, indicates that plant was sited by CERF model. If False, indicates pre-existing facility region_name - Name of region (state) tech_id - Technology ID tech_name - Full generation technology name inclusive of cooling type (if applicable) and additional characteristics tech_simple - Simplified generation technology type unit_size_mw - Power plant unit size (MW) xcoord - X coordinate in the default CRS (meters) ycoord - Y coordinate in the default CRS (meters) index - Index position in the flattend 2D array buffer_in_km - Exclusion buffer around site (km) sited_year - Year of siting retirement_year - Year of retirement lmp_zone - Locational marginal price (LMP) zone ID locational_marginal_price_usd_per_mwh - Locational marginal price ($/MWh) generation_mwh_per_year - Generation output (MWh/yr) operating_cost_usd_per_year - Cost of plant operations ($/yr) net_operational_value - Net operational value based on LMP and and operating costs ($/yr) interconnection_cost - Cost of interconnection for transmission & gas pipeline (if applicable) net_locational_cost -- Difference of interconnection cost and operating value ($/yr) capacity_factor_fraction - Capacity factor (fraction) carbon_capture_rate_fraction - Carbon capture rate (fraction) fuel_co2_content_tons_per_btu - Fuel CO2 content (tons/Btu) fuel_price_usd_per_mmbtu - Fuel price ($/MMBtu) fuel_price_esc_rate_fraction - Fuel price escalation rate (fraction) heat_rate_btu_per_kWh - Heat rate (Btu/kWh) lifetime_yrs - Technology lifetime for annuity (years) operational_life_yrs - Operational lifetime for retirement (years) variable_om_usd_per_mwh - Variable operation and maintenance costs of yearly capacity use ($/MWh) variable_om_esc_rate_fraction - Variable operation and maintenance costs escalation rate (fraction) carbon_tax_usd_per_ton - Carbon tax ($/ton) carbon_tax_esc_rate_fraction - Carbon tax escalation rate (fraction) 2. Storage Data This directory contains information on new and pre-existing energy storage facilities operational in each timestep along with various storage operational parameters. The 2015 timestep provides pre-existing energy storage data and corresponds with facilities that are operational leading into the first model simulation timestep. Note that coordinates in the storage files correspond to the interconnection point on the grid (substation location), not individual energy storage locations. Energy storage is added in a cumulative process at each given interconnection point. That is, each individual file provides the total operational storage capacity interconnected to the specified substation for the given timestep, inclusive of previously installed storage at that location and new storage installed in that timestep at that location. Parameters scenario - Name of scenario timestep - Simulation timestep name - Unique storage identifier s_typ - Type of energy storage technology (battery or pumped storage hydro) s_node - Node ID of interconnecting substation xcoord - X coordinate in the default CRS (meters) ycoord - Y coordinate in the default CRS (meters) charge_rate - Maximum charge rate (power capacity) of storage system (MW) discharge_rate - Maximum discharge rate (power capacity) of storage system (MW) duration - Duration of storage system (hours) max_SoC - Allowed maximum state of charge (energy capacity) of storage system (MWh) min_SoC -Allowed minimum state of charge (energy capacity) of storage system (MWh) charge_eff - Efficiency of charge (fraction between 0 and 1) discharge_eff - Efficiency of discharge (fraction between 0 and 1) Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program.

CERF↗
NASA NTRS1979

Silicon on Ceramic Process: Silicon Sheet Growth and Device Development for the Large-area Silicon Sheet and Cell Development Tasks of the Low-cost Solar Array Project

The technical and economic feasibility of producing solar cell quality sheet silicon was investigated. It was hoped this could be done by coating one surface of carbonized ceramic substrates with a thin layer of large-grain polycrystalline silicon from the melt. Work was directed towards the solution of unique cell processing/design problems encountered with the silicon-ceramic (SOC) material due to its intimate contact with the ceramic substrate. Significant progress was demonstrated in the following areas; (1) the continuous coater succeeded in producing small-area coatings exhibiting unidirectional solidification and substatial grain size; (2) dip coater succeeded in producing thick (more than 500 micron) dendritic layers at coating speeds of 0.2-0.3 cm/sec; and (3) a standard for producing total area SOC solar cells using slotted ceramic substrates was developed.

Chapman, P. W.↗
NASA NTRS1979

Silicon Solar Cell Process Development, Fabrication and Analysis

The standard solar cells (2x2 cm) from the cast silicon (HEM) showed a maximum AMO efficiency of 10.1%. Cells from the low resistivity material (0.5 ohm-cm) showed lower performance than those of the high resistivity cast silicon (3 ohm-cm), an average efficiency 9.5% versus 7.6%. Maximum AMO efficiency of the standard solar cells from the EFG (RH) ribbons was about 7.5%. The solar cells from the controlled SiC, using the displaced die, showed more consistent and better performance than those of the uncontrolled SiC ribbons, an average efficiency of 6.6% versus 5.4%. The average AMO efficiency of the standard SOC solar cells were about 6%. These were large area solar cells (an average area of 15 sq cm). A maximum efficiency of 7.3% was obtained. The SOC solar cells showed both leakage and series resistance problems, leading to an average curve fill factor of about 60%.

Yoo, H. I.↗
NASA NTRS1979

Silicon Solar Cell Process Development, Fabrication and Analysis

The standard solar cells (2x2 cm) from the cast silicon heatexchanger method) showed a maximum AMO efficiency of 10.1%. Cells from low resistivity material (0.5 ohm-cm) showed lower performance than those of the high resistivity cast silicon (3 ohm-cm), an average efficiency 9.5% versus 7.6% Maximum AMO efficiency of the standard solar cells (2x2 cm) from the EFG (RH) ribbons was about 7.5%. The solar cells from controlled SiC, using the displaced die, showed more consistent and better performance than those of the uncontrolled SiC ribbons, an average efficiency of 6.6% versus 5.4% The average AMO efficiency of the standard silicon ceramic (soc) solar calls were about 6%. These were large area solar cells (an average area of 15 sq cm). A maximum efficiency of 7.3% was obtained. The SOC solar cells showed both leakage and series resistance problems, leading to an average curve fill factor of about 60%.

Yoo, H. I.↗
NASA NTRS1981

Silicon-on ceramic process: Silicon sheet growth and device development for the large-area silicon sheet task of the low-cost solar array project

The technical feasibility of producing solar-cell-quality sheet silicon to meet the Department of Energy (DOE) 1986 overall price goal of $0.70/watt was investigated. With the silicon-on-ceramic (SOC) approach, a low-cost ceramic substrate is coated with large-grain polycrystalline silicon by unidirectional solidification of molten silicon. This effort was divided into several areas of investigation in order to most efficiently meet the goals of the program. These areas include: (1) dip-coating; (2) continuous coating designated SCIM-coating, and acronym for Silicon Coating by an Inverted Meniscus (SCIM); (3) material characterization; (4) cell fabrication and evaluation; and (5) theoretical analysis. Both coating approaches were successful in producing thin layers of large grain, solar-cell-quality silicon. The dip-coating approach was initially investigated and considerable effort was given to this technique. The SCIM technique was adopted because of its scale-up potential and its capability to produce more conventiently large areas of SOC.

Grung, B. L.↗
NASA NTRS1982

Space Operations Center system analysis study extension. Volume 1: Executive summary

The analysis fo Space Operations Center (SOC) systems is summarized. Design considerations, configurations of the manned orbital space station, planned operational and research missions, and subsystem tradeoffs are considered. Integration into the space transportation system is discussed. A modular design concept permitting growth of the SOC as its functions are expanded is described. Additional considerations are special requirements for habitat modules, design modifications needed to operate in geosynchronous orbits, and use of the external tank for cryogenic propellant storage or as a pressurized hangar. A cost summary is presented.

Source record↗
NASA NTRS1981

Space Operations Center, Shuttle Interaction Study. Volume 2: Appendices, Book 1 of 2

The feasibility of shuttle orbiter docking to the Space Operations Center (SOC) is studied. The in-orbit relative motion of the free flying orbiter and SOC was simulated, accounting for the Orbiter RCS and digital autopilot (DAP) systems, orbital mechanics, center of gravity offset of the orbiter docking port, aero and gravity gradient effects, and other pertinent natural and man-made phenomena. Since there is no specified flight path and procedure for docking, terminal closure sensitivities were investigated. Orbiter approach direction, Orbiter approach attitude out of plane, DAP thruster compensation mode, final ballistic docking distance and time to dock, rate and excursion attitude deadbands, and selection of various thruster combinations (differing from nominal) for translational pulses are considered.

Source record↗
NASA NTRS1980

Shutter Interaction Study

The deployment, transport, and exchange procedures for the SOC logistics module and for logistics modules/cradles envisioned to support both the flight support facilities operation and the space construction operation were developed. The use of a holding and positioning aid device was determined to be the most desirable arrangement for the parking/holding of the modules during this exchange operation. The capability/feasibility of transporting eight crew members in the orbiter to and from the SOC was analyzed. Two arrangements were defined for this operation: (1) with the airlock in the orbiter cabin, and (2) with no airlock in the cabin.

Source record↗
NASA NTRS1988

Plans for the extreme ultraviolet explorer data base

The paper presents an approach for storage and fast access to data that will be obtained by the Extreme Ultraviolet Explorer (EUVE), a satellite payload scheduled for launch in 1991. The EUVE telescopes will be operated remotely from the EUVE Science Operation Center (SOC) located at the University of California, Berkeley. The EUVE science payload consists of three scanning telescope carrying out an all-sky survey in the 80-800 A spectral region and a Deep Survey/Spectrometer telescope performing a deep survey in the 80-250 A spectral region. Guest Observers will remotely access the EUVE spectrometer database at the SOC. The EUVE database will consist of about 2 X 10 to the 10th bytes of information in a very compact form, very similar to the raw telemetry data. A history file will be built concurrently giving telescope parameters, command history, attitude summaries, engineering summaries, anomalous events, and ephemeris summaries.

Marshall, Herman L.↗
NASA NTRS1994

OOD/OOP experience in the Science Operations Center part of the ground system for X ray Timing Explorer mission

The Science Operations Center (SOC) for the X-ray Timing Explorer (XTE) mission is an important component of the XTE ground system. Its mandate includes: (1) command and telemetry for the three XTE instruments, using CCSDS standards; (2) monitoring of the real-time science operations, reconfiguration of the experiment and the instruments, and real-time commanding to address the targets of opportunity (TOO) and alternate observations; and (3) analysis, processing, and archival of the XTE telemetry, and the timely delivery of the data products to the principal investigator (PI) teams and the guest observers (GO). The SOC has two major components: the science operations facility (SOF) that addresses the first two objectives stated above and the guest observer facility (GOF) that addresses the third. The SOF has subscribed to the object oriented design and implementation; while the GOF uses the traditional approach in order to take advantage of the existing software developed in support of previous missions. This paper details the SOF development using the object oriented design (OOD), and its implementation using the object oriented programming (OOP) in C++ under Unix environment on client-server architecture using Sun workstations. It also illustrates how the object oriented (OO) and the traditional approaches coexist in SOF and GOF, the lessons learned, and how the OOD facilitated the distributed software development collaboratively by four different teams. Details are presented for the SOF system, its major subsystems, its interfaces with the rest of the XTE ground data system, and its design and implementation approaches.

Choudhary, Abdur Rahim↗
NASA NTRS1997

Diffuse Reflectance Mid-Infrared Spectroscopy as a Tool for the Identification of Surface Contamination on Sandblasted Metals

The SOC 400 Surface Inspection Machine/Infrared (SIMIR) is a small, ruggedized Fourier transform infrared spectrometer having dedicated diffuse reflectance optics. The SOC 400 was designed for the purpose of detecting (qualitatively and quantitatively) oil stains on the inside surface of solid rocket motor casings in the as-sandblasted and cleaned condition at levels approaching 1 mg. sq ft. The performance of this instrument is described using spectral mapping techniques.

G. Louis Powell↗