Search NASA⌕ Search

SEARCH · Search NASA

Results for “Phase 1 Testing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Silver-free Metallization Technology for Producing High Efficiency, Industrial Silicon Solar Cells

The goal of this project is to provide a commercially viable Ag-free metallization technology that will both reduce cost and increase efficiency of standard silicon solar cells. By removing silver from the front grid metallization and replacing it with lower cost nickel, copper, and tin metal, the front grid direct materials costs will decrease. This reduction in material costs should provide a path to meeting the Sunshot 2020 goal of 1 dollar / W DC . As of today, plated contacts are not widely implemented in large scale manufacturing. For organizations that wish to implement pilot scale manufacturing, only two equipment choices exist. These equipment manufacturers do not supply plating chemistry. The main goal of this project is to provide a chemistry and equipment solution to the industry that enables reliable manufacturing of plated contacts marked by passing reliability results and higher efficiencies than silver paste front grid contacts. To date, there have been several key findings that point to plated contacts performing equal to or better than the current state of the art silver paste contacts. Poor adhesion and reliability concerns are a few of the hurdles for plated contacts, specifically plated nickel directly on silicon. A key finding of the Phase 1 budget period is that the plated contacts have the same adhesion as the silver paste controls. This is a huge win for plated contacts. With very little optimization work, state of the art electrical results for plated contacts on laser ablated lines have been demonstrated with efficiencies up to 19.1% and fill factors ~80% on grid lines 40-50 um wide. The silver paste controls with similar line widths demonstrate similar electrical results. By optimizing the emitter and grid design for the plated contacts, it is expected that the electrical performance will exceed the silver paste controls. In addition, cells plated using Technic chemistry and equipment pass reliability testing; i.e. 1000 hours damp heat and 200 thermal cycles, with results similar to silver paste control cells. 100 cells have been processed through Technic’s novel demo plating tool built and installed during budget period 2. This plating tool performed consistently from cell to cell, providing gentle handling for the solar cells. An agreement has been signed with a cell manufacturer to process their cells through our plating chemistry and equipment. Their main focus for plated contacts is to reduce the direct materials cost by utilizing nickel, copper, and tin in place of silver paste. Based on current market conditions and cost model calculations, the overall savings offered by plated contacts is only 3.5% dollar/W versus silver paste contacts; however, the direct materials savings depend on the silver market. If silver prices increase, plated contacts may find a wider adoption in the solar industry in order to keep the direct materials costs down for front grid contacts.

14 SOLAR ENERGY↗
DOE OSTI2022

Computed Tomography Scanning and Geophysical Measurements of the Enhanced Geothermal Systems (EGS) Collab SURF Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from 8 wells from the Enhanced Geothermal Systems (EGS) Collab project located in the Sanford Underground Research Facility’s (SURF) 4850 level. The work in this report falls in Experiment 1 in a three-phase experiment, with the primary purpose to increase understanding of hydraulic fracturing. The primary impetus of this work is a collaboration between U.S. Department of Energy (DOE) and the EGS Collab. The resultant datasets are presented in this report and can be accessed from NETL's Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/surf-collab-core. All equipment and techniques used were non-destructive, enabling future examinations and analyses to be performed on these cores. None of the equipment used was suitable for direct visualization of the pore space in the core, although fractures and discontinuities were detectable with the methods tested. Low resolution CT imagery with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with X-ray fluorescence (XRF), P-wave, and magnetic susceptibility measurements from the MSCL were useful in identifying zones of interest for more detailed analysis as well as fractured zones. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of methods used provides a multi-scale analysis of the core; the resulting macro and micro descriptions are relevant to many subsurface energy related examinations traditionally performed at NETL.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Southwest Regional Partnership on Carbon Sequestration: Phase III (Final Scientific/Technical Report)

The Southwest Regional Partnership on Carbon Sequestration (SWP) is one of 7 regional partnerships formed in 2003 under the U.S. Department of Energy’s (DOE) Regional Carbon Sequestration Partnerships (RCSPs) initiative. The overall purpose of the initiative was to help determine and implement the technology, infrastructure, and regulations most appropriate to promote carbon storage in different regions of the country. Covering Arizona, Colorado, New Mexico, Oklahoma, Utah, and parts of Texas, Wyoming, and Kansas, the SWP evaluated regional carbon storage and utilization potential and focused on technologies and sites that could complement the region’s strong position in energy production. The project progressed through three phases: • Phase I (2003–2005): Characterized regional geologic formations and CO 2 sources, assessed sequestration potential, and identified pilot test sites. • Phase II (2005–2013): Conducted small-scale field tests to validate sequestration methods, including geologic and terrestrial projects. • Phase III (2008–2022): Demonstrated large-scale CO 2 injection at a commercial oil field to test monitoring, verification, and long-term storage strategies. This report covers Phase III. The final project site, the Farnsworth Unit (FWU) in Texas, provided real-world testing of reservoir characterization, monitoring, and risk evaluation tools and processes that could be used in any commercial scale carbon capture, utilization, and storage (CCUS) project. Extensive data collection and analysis helped refine best practices for reservoir characterization, injection monitoring, and storage verification. The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Key lessons learned include the importance of robust data management, strategic site selection, regulatory navigation, and effective industry collaboration. The project’s findings will inform ongoing and future carbon storage initiatives. Task 1 (Regional Characterization) • The SWP continued to participate in national outreach efforts and NATCARB. • The SWP evaluated multiple potential sites before selecting the FWU as the primary field test location. Task 2 (Public Outreach and Education) • The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Task 3 (Permitting and Regulatory Compliance) • The SWP ensured compliance with federal and state regulations, including National Environmental Policy Act (NEPA) requirements. • The SWP obtained all necessary permits for drilling, injection, and monitoring activities. Task 4 (Site Characterization and Planning) • The SWP developed work plans for four key activities: characterization, simulation, monitoring and verification, and risk evaluation. • The SWP collected and synthesized legacy data from multiple sources to build initial static geological models and dynamic reservoir models demonstrating project feasibility. • The SWP conducted an initial risk evaluation and developed mitigation plans. Task 5 (Field Operations and Data Collection) • The SWP drilled, logged, and cored three characterization wells to gather critical subsurface data. • The SWP conducted multiple geophysical surveys, including 3D seismic, crosswell seismic, and vertical seismic profiling, to improve reservoir characterization. Task 6 (Monitoring and Verification) • The SWP performed extensive geological characterization using data from characterization wells and seismic surveys. • The SWP established a surface monitoring network to track CO 2 flux in soil gas, groundwater chemistry, and near-surface atmospheric CO 2 levels. • The SWP built and refined reservoir models to study the effects of relative permeability on simulation behavior and improve calibration with experimental data. Task 7 (Risk Assessment and Model Refinement) • The SWP conducted multiple studies to evaluate reservoir integrity, predict CO 2 plume behavior and improve predictive modeling capabilities. • The SWP refined geological models and used them to enhance the accuracy of simulation models. • The SWP continued quantitative risk assessment of top-ranked risks and strengthened the link between qualitative and quantitative risk methodologies.

02 PETROLEUM↗
DOE OSTI2025

Microstructure-Based Understanding of High-Temperature Deformation Behaviors in Laser Powder Bed Fusion (LPBF) 316H Stainless Steel

This report presents the results of high-temperature mechanical property testing and microstructural analysis of laser powder bed fusion (LPBF) 316H stainless steel (SS) conducted during Fiscal Year 2025 (FY25) under the U.S. Department of Energy, Office of Nuclear Energy’s Advanced Materials and Manufacturing Technologies (AMMT) program. The study builds upon prior work by expanding the mechanical property test matrix and advancing a microstructure-based mechanistic understanding of LPBF 316H SS performance, with a focus on the solution annealed (SA, 1100°C for 1 hour) materials. High-temperature tension, creep, fatigue, and creep-fatigue tests were performed. Thermal aging studies were conducted. Advanced characterization techniques, including scanning electron microscopy (SEM), scanning transmission electron microscopy (STEM), and high-energy synchrotron X-ray diffraction, were employed to investigate the microstructural evolution during thermal aging and mechanical testing. It was discovered that the as-built (AB) LPBF 316H SS exhibited precipitation kinetics during thermal aging that are 10–100 times faster than its wrought counterpart due to the presence of high densities of preferred nucleation sites, while the precipitation kinetics in SA LPBF 316H was under investigation. The accelerated precipitation of embrittling phases such as sigma phase in LPBF 316H SS compared to its wrought counterpart led to significant impacts on creep ductility. The influence of laser printing parameters and build orientations on fatigue and creep-fatigue performance was observed. In assessing the creep-fatigue performance, it was discovered that the SA LPBF 316H samples failed in less than 200 cycles under 595°C, 0.5% (strain amplitude) with a 60-minute hold time. This work establishes a mechanistic framework for predicting the long-term behavior of LPBF 316H SS, supporting its rapid qualification under the ASME BPVC. The findings contribute to the broader goal of enabling the deployment of advanced materials in next-generation nuclear energy systems. An outlook for FY26 work, including continued aging studies, mechanical testing, and microstructural characterization, is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Large Load Impacts to Distribution System Hosting Capacity

This work examined the impact of large loads on utility distribution system models using the Sandia-developed open-source software DREAMS. It was shown that hosting capacity varies with location and changes after any asset is added to, or removed from, a system. Despite the tested models having similar rated voltages and other characteristics, their thermal and voltage constrained hosting capacity varied over 2 MW. The addition of a 3-phase balanced constant power large load with power factor of 1.0 exhibited non-linear reductions to all voltage constrained hosting capacities. The reductions to thermal constrained hosting capacity from a load with similar characteristics was more linear, related to the size of the added load, and did not impact all model buses. Co-located capacitors were shown to accommodate demand that was beyond the baseline voltage constrained hosting capacity limits, however, the costs and benefits from this approach were found to not be 1:1 and required additional available thermal capacity.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Modeling for Stellar Feedback in Galaxy Formation Simulations

Various heuristic approaches to model unresolved supernova (SN) feedback in galaxy formation simulations exist to reproduce the formation of spiral galaxies and the overall inefficient conversion of gas into stars. Some models, however, require resolution-dependent scalings. We present a subresolution model representing the three major phases of supernova blast wave evolution—free expansion, energy-conserving Sedov–Taylor, and momentum-conserving snowplow—with energy scalings adopted from high-resolution interstellar-medium simulations in both uniform and multiphase media. We allow for the effects of significantly enhanced SN remnant propagation in a multiphase medium with the cooling radius scaling with the hot volume fraction, f{sub hot}, as (1−f{sub hot}){sup −4/5}. We also include winds from young massive stars and AGB stars, Strömgren sphere gas heating by massive stars, and a mechanism that limits gas cooling that is driven by radiative recombination of dense H ii regions. We present initial tests for isolated Milky Way-like systems simulated with the Gadget-based code SPHgal with improved SPH prescription. Compared to pure thermal SN input, the model significantly suppresses star formation at early epochs, with star formation extended both in time and space in better accord with observations. Compared to models with pure thermal SN feedback, the age at which half the stellar mass is assembled increases by a factor of 2.4, and the mass-loading parameter and gas outflow rate from the galactic disk increase by a factor of 2. Simulation results are converged for a variation of two orders of magnitude in particle mass in the range (1.3–130) × 10{sup 4} solar masses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Total Recoverable Aluminum: Not Totally Relevant for Water Quality Standards

Abstract A large water quality data set, representing more than 100 surface-water locations sampled from 2007 to 2017 in the Los Alamos area of New Mexico, USA's Pajarito Plateau, was assembled to evaluate Al concentrations in unfiltered and filtered samples. Aluminum concentrations often exceeded United States Environmental Protection Agency (USEPA) and New Mexico ambient water quality criteria (AWQC), regardless of filter size and sample location. However, AWQC are based on laboratory toxicity studies using soluble Al salts and do not reflect natural conditions in Pajarito Plateau surface waters. The plateau is predominately covered by glassy and recrystallized volcanic ashes (e.g., Bandelier Tuff) containing colloidal to sand-sized aluminosilicates. Samples from natural background drainages and areas downstream of developed regions exhibited similar Al concentrations, suggesting that AWQC exceedances are caused by naturally elevated Al concentrations. Solubility calculations indicated that most samples were oversaturated with respect to amorphous Al(OH)3(s). Therefore, AWQC exceedances are likely artifacts of the “total recoverable” sample preparation, which includes acidification and partial digestion, thereby liberating nonbioavailable Al from aluminosilicates. Accordingly, Al concentrations were strongly associated with suspended sediment concentrations (SSCs), implying that aluminosilicates in suspended sediment contributed to AWQC exceedances and Al oversaturation. Solid-phase particle characterization, using X-ray diffraction (XRD) and scanning electron microscopy with electron dispersive spectroscopy (SEM/EDS) did not identify potentially bioavailable amorphous Al(OH)3(s) in any sample tested. Thus, current sample collection and analysis protocols should not be used to evaluate attainment of Al AWQC on the Pajarito Plateau or locations where aluminosilicates are substantial contributors to total recoverable Al. A sample preparation method (e.g., pH 4 extraction) capable of differentiating nonbioavailable and bioavailable forms of Al is recommended. Otherwise, current New Mexico and USEPA sample preparation approaches will continue to generate artifactual AWQC exceedances in surface waters that contain aluminosilicates. Integr Environ Assess Manag 2019;00:1–14. © 2019 SETAC

Ryan, Adam C.↗
DOE OSTI2015

Strategy for stabilization of the antiferroelectric phase (Pbma) over the metastable ferroelectric phase (P2{sub 1}ma) to establish double loop hysteresis in lead-free (1−x)NaNbO{sub 3}-xSrZrO{sub 3} solid solution

A new lead-free antiferroelectric solid solution system, (1−x)NaNbO{sub 3}-xSrZrO{sub 3}, was rationalized through noting the crystal chemistry trend, of decreasing the tolerance factor and an increase in the average electronegativity of the system. The SrZrO{sub 3} doping was found to effectively stabilize the antiferroelectric (P) phase in NaNbO{sub 3} without changing its crystal symmetry. Preliminary electron diffraction and polarization measurements were presented which verified the enhanced antiferroelectricity. In view of our recent report of another lead-free antiferroelectric system (1−x)NaNbO{sub 3}-xCaZrO{sub 3} [H. Shimizu et al. “Lead-free antiferroelectric: xCaZrO{sub 3} - (1−x)NaNbO{sub 3} system (0 ≤ x ≤ 0.10),” Dalton Trans. (published online)], the present results point to a general strategy of utilizing tolerance factor to develop a broad family of new lead-free antiferroelectrics with double polarization hysteresis loops. We also speculate on a broad family of possible solid solutions that could be identified and tested for this important type of dielectric.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Crump Geyser Exploration and Drilling Project. High Precision Geophysics and Detailed Structural Exploration and Slim Well Drilling

The Crump Geyser Exploration and Drilling Project – High Precision Geophysics and Detailed Structural Exploration and Slim Well Drilling ran from January 29, 2010 to September 30, 2013. During Phase 1 of the project, collection of all geophysical surveys was completed as outlined in the Statement of Project Objectives. In addition, a 5000-foot full sized exploration well was drilled by Ormat, and preexisting drilling data was discovered for multiple temperature gradient wells within the project area. Three dimensional modeling and interpretation of results from the geophysical surveys and drilling data gave confidence to move to the project into Phase 2 drilling. Geological and geophysical survey interpretations combined with existing downhole temperature data provided an ideal target for the first slim-hole drilled as the first task in Phase 2. Slim-hole 35-34 was drilled in September 2011 and tested temperature, lithology, and permeability along the primary range-bounding fault zone near its intersection with buried northwest-trending faults that have been identified using geophysical methods. Following analysis of the results of the first slim-hole 35-34, the second slim hole was not drilled and subsequent project tasks, including flowing differential self-potential (FDSP) surveys that were designed to detail the affect of production and injection on water flow in the shallow aquifer, were not completed. NGP sold the Crump project to Ormat in August 2014, afterwards, there was insufficient time and interest from Ormat available to complete the project objectives. NGP was unable to continue managing the award for a project they did not own due to liability issues and Novation of the award was not a viable option due to federal award timelines. NGP submitted a request to mutually terminate the award on February 18, 2015. The results of all of the technical surveys and drilling are included in this report. Fault interpretations from surface geology, aeromag, seismic, and gravity data sets are in good agreement, illustrating two or more major range-bounding faults and buried northwest trending faults. The intersections of these fault systems provide the primary targets for drilling.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Design and construction of coal/biomass to liquids (CBTL) process development unit (PDU) at the University of Kentucky Center for Applied Energy Research (CAER)

This report describes a first phase of a project to design, construct and commission an integrated coal/biomass-to-liquids facility at a capacity of 1 bbl. /day at the University of Kentucky Center for Applied Energy Research (UK-CAER) – specifically for construction of the building and upstream process units for feed handling, gasification, and gas cleaning, conditioning and compression. The deliverables from the operation of this pilot plant [when fully equipped with the downstream process units] will be firstly the liquid FT products and finished fuels which are of interest to UK-CAER’s academic, government and industrial research partners. The facility will produce research quantities of FT liquids and finished fuels for subsequent Fuel Quality Testing, Performance and Acceptability. Moreover, the facility is expected to be employed for a range of research and investigations related to: Feed Preparation, Characteristics and Quality; Coal and Biomass Gasification; Gas Clean-up/ Conditioning; Gas Conversion by FT Synthesis; Product Work-up and Refining; Systems Analysis and Integration; and Scale-up and Demonstration. Environmental Considerations - particularly how to manage and reduce carbon dioxide emissions from CBTL facilities and from use of the fuels - will be a primary research objectives. Such a facility has required significant lead time for environmental review, architectural/building construction, and EPC services. UK, with DOE support, has advanced the facility in several important ways. These include: a formal EA/FONSI, and permits and approvals; construction of a building; selection of a range of technologies and vendors; and completion of the upstream process units. The results of this project are the FEED and detailed engineering studies, the alternate configurations and the as-built plant - its equipment and capabilities for future research and demonstration and its adaptability for re-purposing to meet other needs. These are described in some detail in this report, along with lessons learned.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2018

Daylighting Digital Dimmer SBIR Phase 2 Final Report

The primary focus of the Phase II Development is the implementation of two key technologies, Task To Wall (TTW) Control, and Wand Gesture light dimming control into an easy to use remote for SSL light control, the MoJo Remote. The MoJo Remote product family includes a battery powered wireless remote, a WiFi gateway as well as Mobile Applications for iOS and Android. Specific accomplishments during the second reporting period include: 1. Finalization and implementation of MoJo Remote Accelerometer and capacitive-touch based UI/UX, referred to as the Wand Gesture UI. 2. Issuance of Patent for Wand Gesture UI. 3. Industrial and Mechanical Design for MoJo Remote and MoJo Gateway. 4. Task To Wall implementation and testing in MoJo Remote. 5. Zooming User Interface (ZUI) for the Mobile App implemented on both iOS and Andriod. 6. iOS Mobile app developed to beta level functionality. 7. Initial Development of the Android Mobile Application. 8. Closed loop color control at task (demonstrated at 2016 SSL R&D Workshop). 9. Task To Wall extended to Color Control, working in simulation. 10. Beta testing begun in Late 2017/Early 2018. The MoJo Remote integrates the Patented TTW Control and the Wand Gesture innovative User Interface, and is currently in Beta testing and on the path to commercialization.

24 POWER TRANSMISSION AND DISTRIBUTION↗
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 OSTI2023

Adaptive Pore Opening to Form Tailored Adsorption Sites in a Cooperatively Flexible Framework Enables Record Inverse Propane/Propylene Separation

A proposed low-energy alternative to the separation of alkanes from alkenes by energy-intensive cryogenic distillation is separation by porous adsorbents. Unfortunately, most adsorbents preferentially take up the desired, high-value major component alkene, requiring frequent regeneration. Adsorbents with inverse selectivity for the minor component alkane would enable the direct production of purified, reagent-grade alkene, greatly reducing global energy consumption. However, such materials are exceedingly rare, especially for propane/propylene separation. Here, we report that through adaptive and spontaneous pore size and shape adaptation to optimize an ensemble of weak noncovalent interactions, the structurally responsive metal-organic framework CdIF-13 (sod-Cd(benzimidazolate) 2 ) exhibits inverse selectivity for propane over propylene with record-setting separation performance under industrially relevant temperature, pressure, and mixture conditions. Powder synchrotron X-ray diffraction measurements combined with first-principles calculations yield atomic-scale insight and reveal the induced fit mechanism of adsorbate-specific pore adaptation and ensemble interactions between ligands and adsorbates. Dynamic column breakthrough measurements confirm that CdIF-13 displays selectivity under mixed-component conditions of varying ratios, with a record measured selectivity factor of α ≈ 3 at 95:5 propylene:propane at 298 K and 1 bar. When sequenced with a low-cost rigid adsorbent, we demonstrated the direct purification of propylene under ambient conditions. In conclusion, this combined atomic-level structural characterization and performance testing firmly establishes how cooperatively flexible materials can be capable of unprecedented separation factors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The eROSITA Final Equatorial-Depth Survey (eFEDS)

Theoretical models of the co-evolution of galaxies and active galactic nuclei (AGNs) ascribe an important role in the feedback process to a short, luminous, obscured, and dust-enshrouded phase during which the accretion rate of the supermassive black hole is expected to be at its maximum and the associated AGN-driven winds are also predicted to be maximally developed. Here, to test this scenario, we have isolated a textbook candidate from the eROSITA Final Equatorial-Depth Survey (eFEDS) obtained within the performance and verification program of the eROSITA telescope on board the Spectrum Röntgen Gamma mission. From an initial catalogue of 246 hard X-ray selected sources that are matched with the photometric and spectroscopic information available within the eROSITA and Hyper Suprime-Cam consortia, three candidates quasars in the feedback phase have been isolated applying a diagnostic proposed previously. Only one source (eFEDS J091157.4+014327) has a spectrum already available (from SDSS-DR16, z = 0.603) and it unambiguously shows abroad component (full width at half maximum ~1650 kms –1 ) in the [OIII]5007 line. The associated observed L [OIII] is ~2.6 × 10 42 erg s –1 , one to two orders of magnitude higher than that observed in local Seyfert galaxies and comparable to those observed in a sample of z ~ 0.5 type 1 quasars. From the multi-wavelength data available, we derive an Eddington ratio (L bol /L Edd ) of ~0.25 and a bolometric correction in the hard X-ray band of k bol ~ 10, which is lower than the corrections observed for objects at similar bolometric luminosity. These properties, along with the outflow, the high X-ray luminosity, the moderate X-ray obscuration (L X ~10 44.8 erg s –1 , N H ~2.7 × 10 22 cm –2 ), and the red optical colour, all match the prediction of quasars in the feedback phase from merger-driven models. Forecasting to the full eROSITA all-sky survey with its spectroscopic follow-up, we predict that by the end of 2024, we will have a sample of few hundred such objects at z= 0.5–2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method

In this paper, we test the accuracy of the linearized semiclassical (LSC) expression for the equilibrium Fermi’s golden rule rate constant for electronic transitions in the presence of non-Condon effects. We do so by performing a comparison with the exact quantum-mechanical result for a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering: (1) A modified Garg-Onuchic-Ambegaokar model for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions. The comparison is performed over a wide range of frictions and temperatures for model (1) and over a wide range of temperatures for model (2). The linearized semiclassical method is found to reproduce the exact quantum-mechanical result remarkably well for both models over the entire range of parameters under consideration. In contrast, more approximate expressions are observed to deviate considerably from the exact result in some regions of parameter space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Conceptual Biorefinery Design and Research Targeted for 2022: Hydrothermal Liquefacation Processing of Wet Waste to Fuels

The Department of Energy Bioenergy Technologies Office (BETO) invests in research and development of new pathways for commercially viable conversion of biomass into drop-in ready transportation fuels, fuel blendstocks and products. The primary emphasis has been on terrestrial and algae feedstocks, but more recently BETO has begun to explore the potential of wet wastes for biofuel production, with focus on wastewater residuals, manure, food waste, and fats, oils and grease. A recent resource analysis estimates that 77 million dry tons per year of these wastes are generated annually, 65% of which are underutilized for any beneficial purpose. Approximately 14 million dry tons of the total resource is wastewater residuals (sludge and biosolids) generated at the nation’s wastewater treatment plants (WWTPs). Conversion of this resource into transportation fuels could significantly contribute to the creation of a new domestic bioenergy and bioproduct industry, while providing an economically and environmentally sustainable alternative for current waste disposal practices. Hydrothermal liquefaction (HTL) is a process that uses hot, pressurized water in the condensed phase to convert biomass to a thermally stable oil product, also known as “biocrude”, which can then be thermo-catalytically upgraded to hydrocarbon fuel blendstocks. HTL is conceptually simple, has a high carbon efficiency, and can be applied to a wide range of wet feedstocks at similar processing conditions. The purpose of this report is to document the conceptual design, economics and supporting data for a sludge-to-fuel pathway via HTL and biocrude upgrading. The configuration includes a HTL plant that is co-located with a WWTP and a larger scale biocrude upgrading plant for production of hydrocarbon fuel blendstocks. Experimental data from bench scale testing of a 1:1 mixture of primary:secondary sludges are used to establish the economic and technical assumptions for the analysis. The design represents a goal case for the pathway, targeting performance that is anticipated to be achievable by 2022 with further research and development. The year 2022 is BETO’s target year for verification of hydrocarbon biofuel pathways. As this analysis represents a goal case, assumed values of several design parameters represent improvements in the technology relative to what has currently been demonstrated in the laboratory. While HTL is fairly well developed and may therefore be ready for commercialization prior to 2022, there are specific advancements addressed in this analysis that are necessary to enhance performance compared to what has been demonstrated to date. In addition, an important aspect to the pathway is the upgrading of biocrude to fuel blendstock, an area that has received much less attention and requires significant research to validate the goal case performance parameters. The estimated plant gate minimum fuel selling price for fuel blendstock from sludge HTL and upgrading is $3.46/gasoline gallon equivalent (gge). This price is within the tolerance (+$0.49/gge) of BETO’s $3/gge programmatic cost target and illustrates that fuel blendstocks generated from HTL of sludge and centralized biocrude upgrading have the potential to be competitive with fossil fuels. This analysis illustrates the feasibility of HTL for point-of-generation conversion of waste feedstock at a scale 1/20th that of the standard lignocellulosic biorefinery scale typically used in BETO design cases. The relevance of this work reaches beyond wastewater treatment sludge to lay the groundwork for application to other distributed wet wastes and blends that together represent a significant resource of underutilized biomass.

09 BIOMASS FUELS↗
DOE OSTI2023

FWP FEAA149: “Next Generation Environmental Barrier Coatings”

Environmental barrier coatings (EBCs) are required coatings for utilization of SiC/SiC ceramic matrix composite (CMC) components in gas turbines, where the EBC represents the life-limiting factor for such components. EBC/CMC systems have shown success in aero-engine applications with increased turbine inlet temperatures and improved efficiencies, which are achieved through higher temperature stability, lower density, and decreased reliance on cooling air compared to traditional superalloys. While industrial gas turbines (IGTs) do not currently utilize SiC/SiC CMCs, the current shift towards low-carbon or carbon-free fuel sources for power generation could result in a need for EBC/CMC components with higher temperature capabilities. In this work, three tasks were outlined to improve understanding of EBC lifetimes to encourage use in IGTs with carbon-free fuel such as hydrogen: 1. Define the bond coating oxidation kinetics and EBC failure criteria, 2. Measure thermal expansion coefficients of each layered material, and 3. Perform advanced characterization and modeling to assess EBC lifetimes. Cyclic steam oxidation tests were conducted on various EBC/Si/SiC chemistries and EBC/SiC architectures to define substrate oxidation kinetics and EBC failure modes. An open-source code was developed to quantify the undulating thermally grown oxide thickness with thousands of measurements from specimen cross-section images. Bond coating oxidation kinetics were determined and used to develop a kinetic and thermodynamic model for predicting EBC lifetimes. High-temperature Raman spectroscopy was utilized for determining the SiO 2 thermally grown oxide phase transformation as the life-limiting feature for EBCs. Model efforts supported the claim that the SiO 2 phase transformation causes elevated stress during thermal cycling with associated cracking that decreases the adhesion strength of the EBC, eventually resulting in coating spallation. The finite element model subroutine will be made publicly available upon internal review. Further development of an EBC lifetime model for IGTs involves definition of a critical SiO 2 thickness for EBC spallation and must also consider both environmental (gas velocity, pressure, etc.) and specimen (EBC dopants, layer architectures, etc.) effects into predicted bond coating oxidation kinetics for long-lifetime components.

36 MATERIALS SCIENCE↗