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

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Thermal expansion and thermal expansion anisotropy of SiC polytypes

The principal axial coefficients of thermal expansion for the (3C), (4H), and (6H) polytypes of SiC are considered to identify the structural role of the stacking layer sequence as it affects the thermal expansion. A general equation based on the fractions of cubic and hexagonal layer stacking is developed that expresses the principal axial thermal expansion coefficients of all of the SiC polytypes. It is then applied to address the thermal expansion anisotropy of the noncubic SiC structures.

Li, Z.↗
DOE OSTI2025

Mixed polytype/polymorph formation in InSe films grown by molecular beam epitaxy on GaAs(111)B

Abstract We report the growth of InSe films on semi-insulating GaAs(111)B substrates by molecular beam epitaxy (MBE). Excellent nucleation behavior resulted in the growth of smooth, single-phase InSe films. The dominant polytype was the targeted γ-InSe. Transmission electron microscopy revealed the presence of three bulk polytypes β, γ, and ε-InSe arranged in nanosized domains, which can be interpreted as sequences of stacking faults and rotational twin boundaries of γ-InSe. Additionally, a centrosymmetric Se-In-In-Se layer polymorph with $P\bar{3}m$ symmetry was identified as typically not present in bulk. Sizeable differences in their electronic properties were found, which resulted in sizeable electronic disorder arising from the nanoscale polytype arrangement that dominated the electronic transport properties. While MBE is a viable synthesis route towards stabilization of InSe polytypes not present in the bulk, an improved understanding to form the targeted polymorph is required to ultimately inscribe a layer sequence on demand utilizing bottom-up synthesis approaches.

ferroelectrics and multiferroics↗
DOE OSTI2020

Leveraging operational information from wastewater injection wells to evaluate CO 2 injection performance for carbon storage applications in the Appalachian Basin

Abstract Geologic parameters, geophysical logging, injection testing, and operational metrics from wastewater injection wells were integrated to develop a preliminary design of a carbon storage facility in the Appalachian Basin. A scattered group of 10–20 commercial wastewater injection wells dispose off produced water from oil and gas wells in the region, utilizing a sequence of stacked deep saline formations for injection zones. These wastewater injection wells provide practical benchmarks for understanding the feasibility of carbon dioxide (CO 2 ) storage. Geologic models were developed based on characterization data from the wastewater injection wells. Reservoir simulations were calibrated according to injection testing and operational data from the wastewater injection wells. Long‐term operational data on injection flow rates and pressures measured in the wastewater injection wells were especially useful to evaluate the performance of carbon storage applications. The simulations were used to estimate injection pressures, radius of CO 2 saturation, and pressure response for industrial scale CO 2 storage applications. Results were also used to provide a design basis in terms of number of injection wells, well spacing, area of review, injection system components, monitoring plan, and CO 2 pipeline distribution system. The analysis demonstrates that there is sufficient injectivity in the deep saline formations in the west‐central Appalachian Basin to store commercial volumes of anthropogenic CO 2 . The geologic system appears suitable for supporting CO 2 injection rates of 0.5–1.0 million metric tons per year at injection pressures below formation fracture pressure in a single well. The long‐term operational data of wastewater injection wells within the study area suggested a lower permeability‐thickness values than indicated by initial reservoir tests. A workflow for developing realistic permeability values for input into reservoir simulations is presented. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.

Valluri, Manoj↗
DOE OSTI2022

Capture of novel sp 3 hybridized Z-BN by compressing boron nitride nanotubes with small diameter

Experimental synthesis of new sp 3 hybridized carbon/boron nitride structures remains challenging despite that numerous sp 3 structures have been proposed in theory. Here, we showed that compressed multi-walled boron nitride nanotubes (MWBNNTs) and boron nitride peapods (C 60 @BNNTs) with small diameters could transform into a new sp 3 hybridized boron nitride allotrope (Z-BN). This strategy is considered from the topological transition point of view in boron nitride nanotubes upon compression. Due to the increased curvature in compressed small-diameter MWBNNTs, the uncommon 4- and 8-membered rings in Z-BN could be more favorably formed. And the irreversible tube collapse is proved to be a critical factor for the capture of the formed Z-BN, because of the competition between the resilience of tube before collapse and the stress limitation for the lattice stabilization of Z-BN upon decompression. In this case, Z-BN starts to form above 19.0 GPa, which is fully reversible below 45 GPa and finally becomes quenchable at 93.5 GPa. Consequently, this collapse-induced capture of the high-pressure phase could also be extended to other tubular materials for quenching novel sp 3 structures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Substrate-Directed Underlayer Growth of Bilayer MoS 2 Revealed by Mo Isotope Labeling

Direct control over the vertical formation sequence and stacking registry in van der Waals (vdW) bilayers is essential for device performance and moiré engineering yet difficult to resolve unambiguously with conventional probes. Here, we use Mo isotope labeling in a two-step chemical vapor deposition process to synthesize bilayer MoS 2 and trace its vertical formation on common substrates. By combining site-selective laser thinning, Raman spectroscopy, time-of-flight secondary ion mass spectrometry, and atomic-resolution scanning transimission electron microscopy (STEM), we find a clear substrate dependence: on SiO 2 /Si, the second layer nucleates and grows beneath the first (underlayer), whereas on sapphire, it forms on top (overlayer). Density functional theory indicates that a larger equilibrium interfacial separation and weaker MoS 2 –substrate interactions on amorphous SiO 2 permit confined interfacial diffusion and underlayer nucleation, whereas stronger interactions and smaller separations on sapphire favor overlayer growth. On SiO 2 , confined epitaxy templates commensurate 2H, 3R, and mixed bilayers, as confirmed by second harmonic generation spectroscopy and STEM. During underlayer coalescence, embedded mirror-twin grain boundaries stitch atomically sharp 2H|3R junctions via alternating 4|8 ring motifs. Molecular-dynamics simulations reveal that these alternating 4|8 motifs accommodate interlayer vdW coupling and locally modulate the stacking registry. These results provide mechanistic insight into confined epitaxial growth and establish isotope labeling as a powerful probe of two-dimensional materials synthesis.

MoS2↗
NASA NTRS2022

The Effects of Co-cured Versus Precured Carbon/Epoxy Face Sheets on the Modulus and Compression After Impact Strength of Honeycomb Sandwich Structure

This study presents experimental results of compression after impact (CAI) and stiffness testing of aluminum honeycomb core sandwich structure with quasi-isotropic face sheets that have either been co-cured or precured (and then bonded to the core in a secondary operation). The co-cured face sheets contain some ply waviness whereas the precured face sheets did not. The effect of this waviness was ascertained for two important design parameters for the Space Launch System (SLS) Payload Adapter Fitting (PAF); compressive modulus and CAI strength. It was found that there was no effect on the modulus between co-cured and precured face sheets using the material and processes in this study. In addition, there was no difference in CAI strength behavior between the co-cured and precured face sheet.

sandwich structure↗
NASA NTRS2023

The Effects of Off-Axis Loading on the Compression After Impact Strength of Quasi-Isotropic Face Sheet Honeycomb Core Sandwich Structure

This study presents experimental results of compression after impact (CAI) testing of aluminum honeycomb core sandwich structure with face sheets made of co-cured T1100/3960 quasi-isotropic carbon/epoxy when tested at +22.5⁰ and -22.5⁰ with respect to the 0⁰ fibers. In a previous study examining the CAI strengths of honeycomb sandwich structure, it was found that specimens had different CAI strengths, based on a [-45/90/+45/0]s layup, depending on whether they were tested in the 0⁰ direction (face sheet layup of [-45/90/+45/0]s) or 90⁰ direction (face sheet layup of [+45/0/-45/90]s). The CAI strength results showed that the specimens tested in the 90⁰ direction had a 19% drop in CAI strength compared to specimens tested in the 0⁰ direction. This was attributed to the 0⁰ load bearing plies in the 0⁰ direction specimens being “tucked in” at the center of the specimen thus providing more stability against microbuckling. This raised the question as to what CAI strength would specimens tested at +22.5⁰ (face sheet layup of [-22.5/- 67.5/+67.6/+22.5]s) and -22.5⁰ (face sheet layup of [-67.5/+67.5/+22.5/-22.5]s) have compared to specimens tested in the 0⁰ and 90⁰ direction. Results presented in this study show that the specimens loaded at +22.5⁰ and -22.5⁰ have a similar average CAI strength compared to the specimens loaded in the 0⁰ direction. The specimens loaded in the 90⁰ direction exhibit 16% lower average CAI strength. Additional specimens were tested in the +45⁰ direction to put the 0⁰ load bearing fibers on the outside of the specimen to see if this would decrease the strength as has been documented for undamaged strength. These specimens have average CAI strength values between the 0⁰ direction average CAI strength values and the 90⁰ direction average CAI strength values.

Sandwich structure↗
DOE OSTI2023

Crystal structures of ‘ALternative Isoinformational ENgineered’ DNA in B-form

The first structural model of duplex DNA reported in 1953 by Watson & Crick presented the double helix in B-form, the form that genomic DNA exists in much of the time. Thus, artificial DNA seeking to mimic the properties of natural DNA should also be able to adopt B-form. Using a host–guest system in which Moloney murine leukemia virus reverse transcriptase serves as the host and DNA as the guests, we determined high-resolution crystal structures of three complexes including 5'-CTTBPPBBSSZZSAAG, 5'-CTTSSPBZPSZBBAAG and 5'-CTTZZPBSBSZPPAAG with 10 consecutive unnatural nucleobase pairs in B-form within self-complementary 16 bp duplex oligonucleotides. We refer to this ALternative Isoinformational ENgineered (ALIEN) genetic system containing two nucleobase pairs (P:Z, pairing 2-amino-imidazo-[1,2-a]-1,3,5-triazin-(8H)-4-one with 6-amino-5-nitro-(1H)-pyridin-2-one, and B:S, 6-amino-4-hydroxy-5-(1H)-purin-2-one with 3-methyl-6-amino-pyrimidin-2-one) as ALIEN DNA. We characterized both position- and sequence-specific helical, nucleobase pair and dinucleotide step parameters of P:Z and B:S pairs in the context of B-form DNA. We conclude that ALIEN DNA exhibits structural features that vary with sequence. Further, Z can participate in alternative stacking modes within a similar sequence context as captured in two different structures. This finding suggests that ALIEN DNA may have a larger repertoire of B-form structures than natural DNA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Deciphering the multiple deformation mechanisms responsible for sustained work hardening in a FeCrCoNi medium entropy alloy

Two important and desirable properties of materials for most structural applications are high tensile strength and ductility, which typically require high work hardening to delay necking. Here, in this work, we designed and tensile tested a face-centered cubic (fcc) Fe-Cr-Co-Ni medium-entropy alloy in which multiple deformation mechanisms are triggered during tensile loading at different temperatures to induce sustained work hardening. Our strategy involved control of the relative stabilities of the fcc, hcp (hexagonal close-packed), and bcc (body-centered cubic) phases in this quaternary system via high-throughput thermodynamic calculations. This alloy not only exhibits extensive deformation-induced nanotwinning at room temperature, but also displays a two-step sequential phase transformation [γ (fcc) → ε (hcp) martensite → α’ (bcc) martensite] at 77 K, which contrasts with the single-step phase transformation [γ → ε martensite] observed in many other fcc high/medium entropy alloys with a low stacking fault energy. The sequence of phase transformation at 77K was supported by first-principles density functional theory calculations. This work provides new templates for the design of alloys capable of multiple deformation mechanisms for sustained work hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2020

LAN: A Materials Notation for Two-Dimensional Layered Assemblies

Two-dimensional (2D) layered materials offer intriguing possibilities for novel physics and applications. Before any attempt at exploring the materials space in a systematic fashion, or combining insights from theory, computation, and experiment, a formal description of information about an assembly of arbitrary composition is required. Here, we introduce a domain-generic notation that is used to describe the space of 2D layered materials from monolayers to twisted assemblies of arbitrary composition, existent or not yet fabricated. The notation corresponds to a theoretical materials concept of stepwise assembly of layered structures using a sequence of rotation, vertical stacking, and other operations on individual 2D layers. Its scope is demonstrated with several example structures using common single-layer materials as building blocks. This work overall aims to contribute to the systematic codification, capture, and transfer of materials knowledge in the area of 2D layered materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

HERO CarbonSAFE Phase 2 Project in the Columbia River Basalt Group

The Hermiston, Oregon Basalt CarbonSAFE Phase II project (HERO CarbonSAFE) seeks to accelerate the deployment of commercial carbon dioxide (CO2) storage projects in basaltic rocks. Basalt CO2 storage has several advantages to conventional saline storage reservoirs including 1. The potential for rapid mineralization of CO2, 2. Associated decreases in pressure and CO2 migration risks, 3. Reduced long-term monitoring requirements with respect to plume tracking, 4. Widespread geographic distribution and, 5. Large storage potential due to thickness, porosity, and CO2 interactions with basalt. And for locations such as the Pacific Northwest, Hawaii, Iceland, India and Japan, basalts may offer the only economically feasible option for local CO2 storage. However, there are limited field-scale assessments of CO2 storage in basalt, and current carbon capture utilization and storage (CCUS) permitting and regulatory frameworks were developed for conventional saline reservoirs. HERO CarbonSAFE is designed to address research gaps and uncertainties associated with basalt storage. Specifically, the project will assess the feasibility of CO2 injection in the deep layered basalts, long-term storage (mineralization), practical approaches for large-scale implementation (50+ million metric tons of CO2 over 30 years), lithology-specific risks, and the technoeconomic potential for CO2 storage in basalts. The HERO CarbonSAFE project will assess feasibility of developing a commercial-scale (50+ million metric tons of CO2) geological storage complex within the Columbia River Basalt Group (CRBG), a layered continental flood basalt complex that underlies Calpine’s natural gas-fired Hermiston Power Project (HPP) in Hermiston, OR (Figure 1). Under this 2-year CarbonSAFE Phase II project, the HERO team will conduct a data acquisition campaign that includes drilling a stratigraphic well to a total depth of ~1,500 m into the thick layered basalts proximal to HPP. A comprehensive well logging and hydrologic testing program will be augmented with new core collected from flow zones and sealing units, and comprehensive laboratory testing to help refine the kinetic rates of mineralization. The newly acquired information will be integrated with existing data from regional wells to correlate basalt injection zone properties to develop storage hub/commercial-scale models. Using these models, the project team will evaluate injection scenarios to define the technical and economic potential for storing a minimum of 50 million metric tons of CO2 over a 30-year period, along with a robust sensitivity analysis on key parameters governing reservoir viability for sustainable injection over a commercial project lifetime. Specific technical objectives of HERO are: (1) assessing the reservoir response of a series of stacked layered reservoir flowtop sequences occurring in this area of the CRBG to commercial-scale injection volumes; (2) extending prior efforts by the project team to characterize the deep layered basalts encountered in regional studies, to leverage prior investments by U.S. Department of Energy’s (DOE) Carbon Storage program; (3) leveraging DOE’s mineralization characterization efforts to advance model parametrization for commercial scale injection of CO2 in basalts; (4) conducting risk assessments associated with scaling up to commercial storage hub injection goals, while validating DOE’s National Risk Assessment Partnership (NRAP) tools, to identify potential constraints that would prevent the CRBG from serving as a commercial-scale storage complex; (5) developing mitigation plans to address identified risks; (6) developing a commercial-scale injection and monitoring, verification and accounting (MVA) strategy; (7) utilizing computational models to define and minimize, if possible, the Area of Review (AoR) under Class VI regulations; and (8) developing a robust CO2 management strategy for CRBG that also considers a regional source/sink approach that is responsive to stakeholder needs and industrial demand. Specific institutional objectives are: (1) identifying and developing plans to mitigate the nontechnical challenges associated with the build-out of a commercial-scale storage complex within the CRBG with integrated CO2 sources; (2) implementing the community outreach plan; (3) conducting regulatory research, including a survey of issues related to pore space ownership, MVA and long-term assurance of mineralization-based storage, to support an eventual application for a UIC Class VI permit; (4) advancing the project’s plan for CO2 liability management; and (5) continuing to refine and update the project’s economic model. The final objective is the preparation of a comprehensive Site Characterization Plan that draws upon the technical and institutional feasibility assessments to prepare the project for future commercialization efforts.

58 GEOSCIENCES↗
NASA NTRS1986

Approximate methods for black hole collisions

The head-on collision of two nonrotating black holes, initially falling toward each other with speed of approach equal to escape velocity, is studied. The initial-value problem for the two-black-hole configuration is solved by giving the extrinsic curvature on a Euclidean space slice, with the equal masses of the two holes and their separation as free parameters. An approximating space-time is then constructed by stacking up a whole sequence of initial-value slices with decreasing separation between the black holes. The space-time singularities at the centers of the two black holes collide at some instant of time, and after that time the space-time so constructed is just the Schwarzschild solution with mass equal to the total mass of both black holes. The approximating space-time describes the coalescence of the event horizons, but contains no gravitational waves.

Eardley, D. M.↗
NASA NTRS2017

Mars Molniya Orbit Atmospheric Resource Mining

This NASA Innovative Advanced Concepts (NIAC) Phase I study examined the revolutionary concept of performing resource collection and utilization during Mars orbital operations in order to enable the landing of large payloads. An exploration architecture was developed, out of which several mission alternatives were developed. Concepts of operations were then developed for each mission alternative, followed by concepts for spacecraft systems, which were traded to assess their feasibility. A novel architecture using Mars Molniya Orbit Atmospheric Resource Mining is feasible to enable an Earth-independent and pioneering, permanent human presence on Mars by providing a reusable, single-stage-to-orbit transportation system. This will allow cargo and crew to be routinely delivered to and from Mars without transporting propellants from Earth.In Phase I, our study explored how electrical energy could be harnessed from the kinetic energy of the incoming spacecraft and then be used to produce the oxygen necessary for landing. This concept of operations is revolutionary in that its focus is on using in situ resources in complementary and varied forms: the upper atmosphere of Mars is used for aerocapture, which is followed by aerobraking, the kinetic energy of the spacecraft is transformed into usable electrical energy during aerobraking, and the atmospheric composition is the source of oxidizer for a landing under supersonic retropropulsion. This NASA Innovative Advanced Concepts (NIAC) Phase I study explores a novel mission architecture to establish routine, Earth-independent transfer of large mass payloads between Earth and the Mars surface and back to Mars orbit. The first stage of routine mission operations involves an atmospheric resource mining aerobraking campaign following aerocapture into a highly elliptical Mars orbit. During each pass through the atmosphere, the vehicle ingests the atmospheric oxidizer and stores it onboard, using solid oxide electrolysis to convert the primarily CO2 atmosphere into usable O2 for propellant. Power is made available through the use of magnetohydrodynamic energy generation, which converts the motion of the plasma in the shock later into usable electrical energy. Upon termination of the aerobraking sequence, the descent vehicle detaches from the orbit stack, deorbits, and executes the entry, descent, and landing sequence. Hypersonic deceleration is achieved via a deployable heat shield to lower the vehicle ballistic coefficient, and supersonic and subsonic deceleration are achieved via retropropulsion. Mars surface operations involve resource mining of the Martian regolith to produce CH4 and O2 propellant to be used for the subsequent MDAV ascent back to high Mars orbit (HMO) providing an apoapsis raise maneuver to initialize the aerobraking sequence, in addition to providing fuel from the Mars surface for EDL propulsive descent. The Resource Collector Vehicle (RCV), which is used for the orbital mining operations, is raised back to HMO via onboard deployable augmented solar electric propulsion. Concepts of operations were developed for each mission alternative, to evaluate between them and assess feasibility.

Mining↗
NASA NTRS2003

TES Limb-Geometry Observations of Aerosols

The Thermal Emission Spectrometer (TES) on-board Mars Global Surveyor (MGS) has a pointing mirror that allows observations in the plane of the orbit anywhere from directly nadir to far above either the forward or aft limbs for details about the TES instrument). Nadir-geometry observations are defined as those where the field-of-view contains the surface of Mars (even if the actual observation is at a high emission angle far from true nadir). Limb-geometry observations are defined as those where the line-of-sight of the observations does not intersect the surface. At a number of points along the MGS orbit (typically every 10 deg. or 20 deg. of latitude) a limb sequence is taken, which includes a stack of overlapping TES spectra from just below the limb to more than 120 km above the limb. A typical limb sequence has approx. 20 individual spectra, and the projected size of a TES pixel at the limb is 13 km.

Michael D Smith↗
NASA NTRS2009

Real-Time Simulation of Ares I Launch Vehicle

The Ares Real-Time Environment for Modeling, Integration, and Simulation (ARTEMIS) has been developed for use by the Ares I launch vehicle System Integration Laboratory (SIL) at the Marshall Space Flight Center (MSFC). The primary purpose of the Ares SIL is to test the vehicle avionics hardware and software in a hardware-in-the-loop (HWIL) environment to certify that the integrated system is prepared for flight. ARTEMIS has been designed to be the real-time software backbone to stimulate all required Ares components through high-fidelity simulation. ARTEMIS has been designed to take full advantage of the advances in underlying computational power now available to support HWIL testing. A modular real-time design relying on a fully distributed computing architecture has been achieved. Two fundamental requirements drove ARTEMIS to pursue the use of high-fidelity simulation models in a real-time environment. First, ARTEMIS must be used to test a man-rated integrated avionics hardware and software system, thus requiring a wide variety of nominal and off-nominal simulation capabilities to certify system robustness. The second driving requirement - derived from a nationwide review of current state-of-the-art HWIL facilities - was that preserving digital model fidelity significantly reduced overall vehicle lifecycle cost by reducing testing time for certification runs and increasing flight tempo through an expanded operational envelope. These two driving requirements necessitated the use of high-fidelity models throughout the ARTEMIS simulation. The nature of the Ares mission profile imposed a variety of additional requirements on the ARTEMIS simulation. The Ares I vehicle is composed of multiple elements, including the First Stage Solid Rocket Booster (SRB), the Upper Stage powered by the J- 2X engine, the Orion Crew Exploration Vehicle (CEV) which houses the crew, the Launch Abort System (LAS), and various secondary elements that separate from the vehicle. At launch, the integrated vehicle stack is composed of these stages, and throughout the mission, various elements separate from the integrated stack and tumble back towards the earth. ARTEMIS must be capable of simulating the integrated stack through the flight as well as propagating each individual element after separation. In addition, abort sequences can lead to other unique configurations of the integrated stack as the timing and sequence of the stage separations are altered.

Tobbe, Patrick↗
NASA NTRS2000

Three-Dimensional Electron Optics Model Developed for Traveling-Wave Tubes

A three-dimensional traveling-wave tube (TWT) electron beam optics model including periodic permanent magnet (PPM) focusing has been developed at the NASA Glenn Research Center at Lewis Field. This accurate model allows a TWT designer to develop a focusing structure while reducing the expensive and time-consuming task of building the TWT and hot-testing it (with the electron beam). In addition, the model allows, for the first time, an investigation of the effect on TWT operation of the important azimuthally asymmetric features of the focusing stack. The TWT is a vacuum device that amplifies signals by transferring energy from an electron beam to a radiofrequency (RF) signal. A critically important component is the focusing structure, which keeps the electron beam from diverging and intercepting the RF slow wave circuit. Such an interception can result in excessive circuit heating and decreased efficiency, whereas excessive growth in the beam diameter can lead to backward wave oscillations and premature saturation, indicating a serious reduction in tube performance. The most commonly used focusing structure is the PPM stack, which consists of a sequence of cylindrical iron pole pieces and opposite-polarity magnets. Typically, two-dimensional electron optics codes are used in the design of magnetic focusing devices. In general, these codes track the beam from the gun downstream by solving equations of motion for the electron beam in static-electric and magnetic fields in an azimuthally symmetric structure. Because these two-dimensional codes cannot adequately simulate a number of important effects, the simulation code MAFIA (solution of Maxwell's equations by the Finite-Integration-Algorithm) was used at Glenn to develop a three-dimensional electron optics model. First, a PPM stack was modeled in three dimensions. Then, the fields obtained using the magnetostatic solver were loaded into a particle-in-cell solver where the fully three-dimensional behavior of the beam was simulated in the magnetic focusing field. For the first time, the effects of azimuthally asymmetric designs and critical azimuthally asymmetric characteristics of the focusing stack (such as shunts, C-magnets, or magnet misalignment) on electron beam behavior have been investigated. A cutaway portion of a simulated electron beam focused by a PPM stack is illustrated.

Kory, Carol L.↗
DOE OSTI2020

Integrated Mid-Continent Stacked Carbon Storage Hub Project Phase II (Final Summary Report)

The Phase II Integrated Midcontinent Stacked Carbon Storage Hub (IMSCS-HUB) is part of the Carbon Storage Assurance Facility Enterprise (CarbonSAFE) established by the United States Department of Energy (DOE) National Energy Technology Laboratory (NETL). CarbonSAFE is phased to support the development of commercial-scale (50 million metric tonnes [Mt] over a 30-year period) carbon capture, utilization, and storage (CCUS) in the United States. The IMSCS-HUB study area comprises carbon dioxide (CO 2 ) sources in Iowa, Kansas, and Nebraska (the source corridor), and CO 2 sinks in Kansas and Nebraska (the storage corridor), representing the first large-scale project for the Midcontinent region. The stacked storage corridor is characterized by alternating sequences of deep saline formations, oil-bearing reservoirs, shale, and evaporite units that are conducive to vertically stacked CO 2 injection for geologic storage and enhanced oil recovery (EOR). Three sites within the IMSCS-HUB stacked storage corridor were evaluated in Phase II for commercial CCUS feasibility: one in southwest-central Nebraska, Sleepy Hollow Field (SHF), a second in southwestern Nebraska near Madrid (Madrid), and a third in southwestern Kansas, the Patterson Site (composed of the Patterson, Heinitz, Hartland, and Oslo fields). In Phase II, the team assessed the feasibility of storage complexes at the potential storage sites in Nebraska and Kansas to support a commercial-scale storage hub that integrates proven CO 2 capture technology and transport from nearby ethanol sources. Building on lessons learned from the DOE-NETL Regional Carbon Sequestration Partnerships (RCSPs), the Project Team has identified a clear strategy to meet DOE’s 2025 objective of commercial carbon capture and storage (CCS) implementation by developing a CO 2 market and infrastructure that relies on multiple ethanol-based CO 2 sources in the short term and the incorporation of multiple coal-fired power plant CO 2 sources when commercial capture is economically viable. The team also leveraged the updated 45Q tax credit to develop capture and transport infrastructure. Commercial-scale CCUS is feasible at two candidate storage sites studied, the Madrid, Nebraska Site and the Patterson Site in Kearny County, Kansas. The Sleepy Hollow Field in Nebraska was found to be an attractive candidate for stacked storage with CO 2 -EOR (Battelle 2020e). Outreach efforts facilitated engagement from industry, government, and research sectors (Battelle and GPI, 2020) and an outreach plan for future phases of the project was developed to address issues that are of concern in the IMSCS-HUB project area (Battelle, 2020f). All components of a CCUS project were determined to be feasible in the IMSCS-HUB region and Risk Mitigation Plan was developed and includes strategies to mitigate risks associated with each project component (Battelle, 2020j). A roadmap was developed to obtain the required UIC permits for an integrated CCUS project (Battelle, 2020k). The regional storage resource characterization demonstrated significant opportunity for commercial-scale projects in the IMSCS-HUB storage corridor with 577.4 Mt of stacked CO 2 storage capacity and the potential to produce 181.9 MMbbls of oil via EOR across 17 individual storage areas (Battelle and ARI, 2020). The pipeline assessment study found viable pipeline routes that connected 45Q-eligible ethanol plants, coal fired power plants, and other sources in the IMSCS-HUB corridor. The comprehensive results of subsurface characterization, modeling efforts, outreach assessment, and regulatory analysis from were integrated to develop a Detailed Commercial Development Plan for the IMSCS-HUB (Battelle, 2020n). Commercialization efforts will involve obtaining Class VI UIC permits, establishing and finalizing the pipeline route, and evaluating capture projects at participating CO 2 sources. Phases I and II of the IMSCS-HUB CarbonSAFE provide a strong foundation for safely, efficiently, and cost-effectively characterizing and permitting commercial-scale project sites in the region. The plan for implementation of commercial-scale CCUS projects in the IMSCS-HUB is aligned with the objectives of CarbonSAFE Phase III: Site Characterization and CO 2 Capture Assessment.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Short- and medium-range orders in Al90Tb10 glass and their relation to the structures of competing crystalline phases

Molecular dynamics simulations using an interatomic potential developed by artificial neural network deep machine learning are performed to study the local structural order in Al90Tb10 metallic glass. We show that more than 80% of the Tb-centered clusters in Al90Tb10 glass have short-range order (SRO) with their 17 first coordination shell atoms stacked in a ‘3661’ or ‘15551’ sequence. Medium-range order (MRO) in Bergman-type packing extended out to the second and third coordination shells is also clearly observed. Analysis of the network formed by the ‘3661’ and ‘15551’ clusters show that ~82% of such SRO units share their faces or vertexes, while only ~6% of neighboring SRO pairs are interpenetrating. Such a network topology is consistent with the Bergman-type MRO around the Tb-centers. Moreover, crystal structure searches using genetic algorithm and the neural network interatomic potential reveal several low-energy metastable crystalline structures in the composition range close to Al 90 Tb 10 . Some of these crystalline structures have the ‘3661’ SRO while others have the ‘15551’ SRO. While the crystalline structures with the ‘3661’ SRO also exhibit the MRO very similar to that observed in the glass, the ones with the ‘15551’ SRO have very different atomic packing in the second and third shells around the Tb centers from that of the Bergman-type MRO observed in the glassy phase.

36 MATERIALS SCIENCE↗