Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “structure formation”

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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Impacts of Different Operation Conditions and Geological Formation Characteristics on CO2 Sequestration in Citronelle Dome, Alabama

Major concerns of carbon dioxide (CO2) sequestration in subsurface formations are knowledge of the well injectivity and gas storage capacity of the formation, the CO2 pressure and saturation plume extensions during and after injection, and the risks associated with CO2 leakage and fault reactivation. Saline reservoirs are considered as one of the target formations for CO2 sequestration through structural, residual, dissolution, and mineral trapping mechanisms. The boundary condition of the saline reservoir dictates the pressure and saturation plume extension of the injected supercritical CO2 that could expand over large distances. This can lead to sources of risk, e.g., leakage and/or fault reactivation due to presence of wells, thief zones, and geological discontinuities. Therefore, there is a critical need to develop a model that describes how risk-related performance metrics (i.e., the CO2 saturation plume size, the pressure differential plume area, and the pressure differential at specific locations) vary as a function of the size of injection, time following injection, injection operations, and geologic environment. In this study, a systematic reservoir modeling studies of anthropogenic CO2 sequestration in Citronelle dome, Alabama, was performed where all relevant scenarios and conditions to address the questions of the saturation and pressure plume size in the area of review (AoR) and post-injection site care (PISC) are considered. The objective for this study was firstly to systematically simulate CO2 sequestration, i.e., saturation dynamics, and pressure behavior over a range of operational and geological conditions and to derive conclusions about the factors influencing saturation and pressure plume size, post-injection behavior, and the risk associated with them, by developing third-generation reduced order models (ROMs) for reservoir behavior. Finally, to assess the uncertainty associated with our studies, Latin Hypercube Sampling (LHS) together with an experimental design technique, i.e., Plackett–Burman design, was used. Application of Pareto charts and respond surfaces enabled us to determine the most important parameters impacting saturation and pressure plume sizes and to quantify the auto- and cross-correlation among different parameters in both history-matched and upscaled models.

58 GEOSCIENCES↗
DOE OSTI2026

Hubble Space Telescope Imaging of Three Isolated Faint Dwarf Galaxies beyond the Local Group: Pavo, Corvus A, and Kamino

We present new Hubble Space Telescope (HST) imaging of three recently discovered star-forming dwarf galaxies beyond the Local Group: Pavo, Corvus A, and Kamino. The discovery of Kamino is reported here for the first time. They rank among the most isolated faint dwarf galaxies known; hence they provide unique opportunities to study galaxy evolution at the smallest scales, free from the environmental effects of more massive galaxies. Our HST data reach ∼2–4 magnitudes below the tip of the red giant branch (TRGB) for each dwarf, allowing us to measure their distances, structural properties, and recent star formation histories (SFHs). All three galaxies contain a complex stellar population of young and old stars, and are typical of field galaxies in this mass regime (M V = −10.62 ± 0.08 and $D = 2.16_{-0.07}^{+0.08}$ Mpc for Pavo, M V = −10.91 ± 0.10 and D = 3.34 ± 0.11 Mpc for Corvus A, and M V = −12.02 ± 0.12 and $D = 6.50_{-0.11}^{+0.15}$ Mpc for Kamino). Our HST-derived SFHs reveal differences among the three dwarfs: Pavo and Kamino show relatively steady, continuous star formation, while Corvus A formed ∼60% of its stellar mass by 10 Gyr ago. These results align with theoretical predictions of diverse evolutionary pathways for isolated low-mass galaxies.

Mutlu-Pakdil, Burçin [Dartmouth College, Hanover, ↗
DOE OSTI2023

Constraints on the Intergalactic Magnetic Field Using Fermi-LAT and H.E.S.S. Blazar Observations

Magnetic fields in galaxies and galaxy clusters are believed to be the result of the amplification of intergalactic seed fields during the formation of large-scale structures in the universe. However, the origin, strength, and morphology of this intergalactic magnetic field (IGMF) remain unknown. Lower limits on (or indirect detection of) the IGMF can be obtained from observations of high-energy gamma rays from distant blazars. Gamma rays interact with the extragalactic background light to produce electron-positron pairs, which can subsequently initiate electromagnetic cascades. The gamma-ray signature of the cascade depends on the IGMF since it deflects the pairs. Here we report on a new search for this cascade emission using a combined data set from the Fermi Large Area Telescope and the High Energy Stereoscopic System. Using state-of-the-art Monte Carlo predictions for the cascade signal, our results place a lower limit on the IGMF of B > 7.1 × 10 -16 G for a coherence length of 1 Mpc even when blazar duty cycles as short as 10 yr are assumed. This improves on previous lower limits by a factor of 2. For longer duty cycles of 10 4 (10 7 ) yr, IGMF strengths below 1.8 × 10 -14 G (3.9 × 10 -14 G) are excluded, which rules out specific models for IGMF generation in the early universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

CLM5 Simulations of Soil Moisture and Grain Carbon for CONUS at 0.125 degrees

This dataset provides 0.125° gridded simulations of soil moisture and crop grain carbon for the Contiguous United States (CONUS), generated using the Community Land Model version 5 (CLM5) with the biogeochemistry module enabled. The data covers a historical baseline (1980–2015) and mid-century future projections (2020–2055). Future projections are organized into two sets of scenarios to distinguish the impacts of different drivers: (1) Atmospheric Only (ATM-only): These scenarios apply future atmospheric forcings while holding land use and land cover change (LULCC) at historical baseline levels. The atmospheric forcings represent moderately versus severely hotter/drier atmospheric conditions (dynamically downscaled perturbed thermodynamics simulations based on CMIP6 SSP245 and SSP585 warming signals), each with cooler versus hotter Earth System Model temperature sensitivity instantiations. These scenarios are identified in the file names as atm45cooler, atm45hotter, atm85cooler, and atm85hotter. (2) Coupled Atmospheric and Land-Use (LAND+ATM): These scenarios apply future atmospheric forcing together with future LULCC by pairing atmospheric pathways with lower versus higher population/economic growth scenarios representing Shared Socioeconomic Pathways 3 and 5 (SSP3 and SSP5). These scenarios are identified in the file names as atm45cooler_ssp3, atm45hotter_ssp3, atm45cooler_ssp5, atm45hotter_ssp5, atm85cooler_ssp3, atm85hotter_ssp3, atm85cooler_ssp5, and atm85hotter_ssp5. Please refer to the README file for detailed information on file structure, variables, units, and data formats.

Yao, Lili [Pacific Northwest National Laboratory] ↗
DOE OSTI2026

CLM5 Simulations of Soil Moisture and Gross Primary Productivity for CONUS at 0.125 degrees

This dataset provides 0.125-degree gridded simulations of soil moisture and gross primary productivity (GPP) for the Contiguous United States (CONUS), generated using the Community Land Model version 5 (CLM5) with the biogeochemistry module enabled. The data covers a historical baseline (1980-2015) and mid-century future projections (2020-2055). Future projections are organized into two sets of scenarios to distinguish the impacts of different drivers: (1) Atmospheric Only (ATM): These scenarios apply future atmospheric forcings while holding land use and land cover (LULC) at historical baseline levels. The atmospheric forcings represent moderately versus severely hotter/drier atmospheric conditions (dynamically downscaled perturbed thermodynamics simulations based on CMIP6 SSP245 and SSP585 warming signals), each with cooler versus hotter Earth System Model temperature sensitivity instantiations. These scenarios are identified in the folder names as rcp45_cooler_near, rcp45_hotter_near, rcp85_cooler_near, and rcp85_hotter_near. (2) Coupled Atmospheric and Land-Use (LAND+ATM): These scenarios apply future atmospheric forcing together with future LULC by pairing atmospheric pathways with lower versus higher population/economic growth scenarios representing Shared Socioeconomic Pathways 3 and 5 (SSP3 and SSP5). These scenarios are identified in the file names as ssp3_rcp45_cooler_near, ssp3_rcp45_hotter_near, ssp5_rcp85_cooler_near, and ssp5_rcp85_hotter_near. Please refer to the "README_first.md" file for detailed information on file structure, variables, units, and data formats.

drought↗
DOE OSTI2020

Formation of helices with controllable chirality in gel-fiber composites

While microscale helices with specified chirality are pervasive in biological systems, driving purely synthetic materials to self-organize into such useful structures remains a significant challenge. Through theory and simulations, we model the behavior of initially flat ribbons of gel-fiber composites and show that these materials self-organize into three-dimensional helices with the application of heat. We specifically focus on thermo-responsive gels, which shrink when heated to a point near the lower critical solubility temperature (LCST). Within the composite, regions of the LCST gel that lie far from the fibers can readily shrink in response to the increased temperature; however, near the fibers the network is inhibited from undergoing the heat-induced collapse. This competition between the constrained and the unconstrained regions of the heated sample plays a vital role in the structural evolution of the material. Additionally, we find that this dynamic process can be controlled through the careful placement of the fibers on the outer surface of the gel. We specifically identify fiber arrangements that lead to the formation of helical structures with controlled chirality. Moreover, we isolate scenarios where constraining the movement of one or both the free ends of the sample promotes and stabilizes the formation of helical structures with specified handedness. Such structurally tailored composites are useful for creating mechanically robust actuators, and “appendages” for soft robots that can controllably curl and uncurl with variations in temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Synthesis of Interface-Driven Tunable Bandgap Metal Oxides

Mixed bandgap and bandgap tunability in semiconductors is critical in expanding their use. Composition altera-tions through single-crystal epitaxial growth and formation of multi-layer tandem structures are often employed to achieve mixed bandgaps albeit with limited tunability. In this study, self-assembled one-dimensional coordination polymers provide a fac-ile synthon and template for graphitic C-doped mesoporous oxides, gC-β-Ga 2 O 3 or gC-In 2 O 3 via controlled oxidative ligand ablation. These materials have mixed bandgaps, and colors, depending on amount of gC present. The carbon-oxide interface leads to induced gap states, hence, a stoichiometrically tunable band structure. Structurally, a multi-scale porous network percolating throughout the material is realized. The nature of heat-treatment and top-down process allows for facile tunabil-ity and formation of mixed bandgap metal oxides through controlled carbon deposition. As a proof of concept, gC-β-Ga 2 O 3 was utilized as a photocatalyst for CO 2 reduction, which demonstrated excellent selectivity and conversion rates into CH 4 and CO.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enabling modern data discovery for atmospheric measurements

The Atmospheric Radiation Measurement (ARM) user facility is a US Department of Energy Office of Science user facility that is managed and operated through a collaborative effort led by nine US Department of Energy national laboratories. The ARM Data Center, located at Oak Ridge National Laboratory, is responsible for the timely collection, processing, and delivery of data products to the scientific community. The ARM Data Center holds more than 11,000 data products, including metadata collected from field campaigns, instruments, value-added products, and principal investigator–contributed data. These data sets are checked for successful transfer (for most data, this transfer is carried out automatically via the network; however, some of the largest data sets and some of the most remote sites require manual shipping of hard disks) and both the data and metadata are processed to a standard format, which is an ARM-standardized structure, via the Network Common Data Form. The Network Common Data Form is a self-describing binary format with many compatible software tools. Once processed, the data are cataloged, stored in the ARM Data Archive, and made discoverable through association with an array of metadata-characterizing information, such as location and measurement classification. These metadata enable powerful search capabilities through the ARM Data Center Data Discovery interface. This paper discusses the workflow of how the new discovery system has been redesigned from user requirements and how the data are distributed to the scientific community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Galaxies with biconical ionized structure in MaNGA – I. Sample selection and driven mechanisms

ABSTRACT Based on the integral field unit (IFU) data from Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey, we develop a new method to select galaxies with biconical ionized structures, building a sample of 142 edge-on biconical ionized galaxies. We classify these 142 galaxies into 81 star-forming galaxies, 31 composite galaxies, and 30 AGNs (consisting of 23 Seyferts and 7 LI(N)ERs) according to the [N ii]-BPT diagram. The star-forming bicones have bar-like structures while AGN bicones display hourglass structures, and composite bicones exhibit transitional morphologies between them due to both black hole and star formation activities. Star-forming bicones have intense star formation activities in their central regions, and the primary driver of biconical structures is the central star formation rate surface density. The lack of difference in the strength of central black hole activities (traced by dust attenuation corrected [O iii]λ5007 luminosity and Eddington ratio) between Seyfert bicones and their control samples can be naturally explained as that the accretion disc and the galactic disc are not necessarily coplanar. Additionally, the biconical galaxies with central LI(N)ER-like line ratios are edge-on disc galaxies that show strong central dust attenuation. The radial gradients of H α surface brightness follow the r−2.35 relation, roughly consistent with r−2 profile, which is expected in the case of photoionization by a central point-like source. These observations indicate obscured AGNs or AGN echoes as the primary drivers of biconical structures in LI(N)ERs.

Zhou, Zhi-Jie (ORCID:0000000317096005)↗
DOE OSTI2024

Magnetic ordering in Eu 2 In and Eu 2 Sn

Eu 2 In and Eu 2 Sn crystallize in the orthorhombic Co 2 Si-type structure (oP12, Pnma, No. 62) with In and Sn atoms occupying one 4c site and the Eu atoms filling two other 4c sites. Eu 2 In has a nearly ideal first-order magnetostructural transition (FOMT) at 55 K with a hysteresis of less than 0.1 K, a large entropy change and an adiabatic temperature change of 5.0 K in a field of 2 T. The anhysteretic nature of the FOMT is likely due to there being no change in cell symmetry and relatively small changes in the lattice parameters. There is no magnetostructural transition in Eu2Sn. In this work we present the results of powder neutron diffraction, magnetization, and Eu Mössbauer spectroscopy aimed to investigate the nature of magnetic order for both Eu 2 In and Eu 2 Sn. The Eu Mössbauer spectrum of Eu 2 In at 5 K shows two equal area components, consistent with Eu occupying two equal multiplicity crystallographic sites. However, the different hyperfine fields (B) of 27 T and 17 T suggest that the magnetic environments of the Eu moments on the two 4c sites are different. Neutron diffraction data at 2.5 K show that in Eu 2 In the order is ferromagnetic, with Eu moments on both Eu sites oriented parallel to the a-axis; moment values of 6.8 μB and 6.5 μB were found. For Eu 2 Sn measurements find two antiferromagnetic transitions, which are corroborated by neutron diffraction. Analysis of density-functional theory calculations shows negligible energy difference between differing magnetic configurations, indirectly supporting stability of multiple magnetic structures observed experimentally. While the transition at T N1 = 30 K corresponds to the formation of a simple k 1 = 0 antiferromagnetic structure with Eu-moments pointing along the b-axis, at T N2 = 13 K a coexisting second magnetic order with k 2 = [0, ½, ½] appears.

36 MATERIALS SCIENCE↗
DOE OSTI2024

HSV ‐1 ICP0 dimer domain adopts a novel β‐barrel fold

Abstract Infected cell protein 0 (ICP0) is an immediate‐early regulatory protein of herpes simplex virus 1 (HSV‐1) that possesses E3 ubiquitin ligase activity. ICP0 transactivates viral genes, in part, through its C‐terminal dimer domain (residues 555–767). Deletion of this dimer domain results in reduced viral gene expression, lytic infection, and reactivation from latency. Since ICP0's dimer domain is associated with its transactivation activity and efficient viral replication, we wanted to determine the structure of this specific domain. The C‐terminus of ICP0 was purified from bacteria and analyzed by X‐ray crystallography to solve its structure. Each subunit or monomer in the ICP0 dimer is composed of nine β‐strands and two α‐helices. Interestingly, two adjacent β‐strands from one monomer “reach” into the adjacent subunit during dimer formation, generating two β‐barrel‐like structures. Additionally, crystallographic analyses indicate a tetramer structure is formed from two β‐strands of each dimer, creating a “stacking” of the β‐barrels. The structural protein database searches indicate the fold or structure adopted by the ICP0 dimer is novel. The dimer is held together by an extensive network of hydrogen bonds. Computational analyses reveal that ICP0 can either form a dimer or bind to SUMO1 via its C‐terminal SUMO‐interacting motifs but not both. Understanding the structure of the dimer domain will provide insights into the activities of ICP0 and, ultimately, the HSV‐1 life cycle.

Biochemistry & Molecular Biology↗
DOE OSTI2020

Dynamics of dust particles confined in imposed potential structures in strongly magnetized, low-temperature plasmas

A new phenomenon called imposed ordered structures has been of particular interest to the dusty plasma community within the past several years. These structures are a new type of pattern formation within a dusty plasma in which the dust particles become fixed to a background confining potential whose spatial structure is determined by some conducting element present in the plasma. In previous works, this element has typically been a conducting wire mesh. One of the unanswered questions is whether the dust particles become trapped beneath the conducting surface of the mesh or in the gaps (holes) between the wires. This work makes use of a new electrode whose shape is designed to mimic that of wire mesh, but with much larger dimensions to facilitate in situ diagnostic measurements. Observations of the dust show that particles become confined to the regions beneath the holes of this new electrode. Measurements of the dust particle velocities allow for a determination of the kinetic energy within the dust cloud which show that the particles are in an energetic steady state. Further, comparisons of spatial profiles of the particle velocities also show that the dust particles typically reside in areas of increased plasma glow, possibly being trapped by plasma filaments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Polarization-dependent photoemission electron microscopy for domain imaging of inorganic and molecular materials

Polarization-dependent photoemission electron microscopy (PD-PEEM) exploits spatial variation in the optical selection rules of materials to image domain formation and material organization on the nanoscale. In this Perspective, we discuss the mechanism of PD-PEEM that results in the observed image contrast in experiments and provide examples of a wide range of material domain structures that PD-PEEM has been able to elucidate, including molecular and polymer domains, local electronic structure and defect symmetry, (anti)ferroelectricity, and ferromagnetism. As a result, we discuss challenges and new directions that are possible with this tool for probing domain structure in materials, including investigating the formation of transient ordered states, multiferroics, and the influence of molecular and polymer order and disorder on excited state dynamics and charge transport.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Protonation of CH 3 N 3 and CF 3 N 3 in Superacids: Isolation and Structural Characterization of Long‐Lived Methyl‐ and Trifluoromethylamino Diazonium Ions

Abstract The methylamino diazonium cations [CH 3 N(H)N 2 ] + and [CF 3 N(H)N 2 ] + were prepared as their low‐temperature stable [AsF 6 ] − salts by protonation of azidomethane and azidotrifluoromethane in superacidic systems. They were characterized by NMR and Raman spectroscopy. Unequivocal proof of the protonation site was obtained by the crystal structures of both salts, confirming the formation of alkylamino diazonium ions. The Lewis adducts CH 3 N 3 ⋅AsF 5 and CF 3 N 3 ⋅AsF 5 were also prepared and characterized by low‐temperature NMR and Raman spectroscopy, and also by X‐ray structure determination for CH 3 N 3 ⋅AsF 5 . Electronic structure calculations were performed to provide additional insights. Attempted electrophilic amination of aromatics such as benzene and toluene with methyl‐ and trifluoromethylamino diazonium ions were unsuccessful.

Saal, Thomas↗
DOE OSTI2020

Structure and Bonding of 1,2,4-Triazole Thiones Derived from Nitron

The molecular structures of two 1,2,4-triazole thiones derived from Nitron, namely Nitron(S) and Nitron(S) Me , have been determined by single crystal X-ray diffraction. Comparison with the structure of Nitron indicates that the formation of the thiones is accompanied by a shortening of the C–N bond within the 5-membered ring that is opposite to the thione group, and a lengthening of the exocyclic C–N bond. Analysis of the structures of Nitron, Nitron(S) and Nitron(S) Me , together with hypothetical versions in which the phenyl substituents are replaced by hydrogen, indicates that these changes are in accord with bond order differences predicted by natural bond orbital methods. Here, a similar evaluation of the thione groups of Nitron(S) and Nitron(S)Me indicates that the C–S bonds are composed of both covalent and ionic components and are best described by a combination of resonance structures that feature C=S double and C–S single bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Atomic Structure of Surface-Densified Phases in Ni-Rich Layered Compounds

In this work, we report the presence of surface-densified phases (β-Ni 5 O 8 , γ-Ni 3 O 4 , and δ-Ni 7 O 8 ) in LiNiO 2 (LNO)- and LiNi 0.8 Al 0.2 O 2 (LNA)-layered compounds by combined atomic level scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). These surface phases form upon electrochemical aging at high state of charge corresponding to a fully delithiated state. A unique feature of these phases is the periodic occupancy by Ni 2+ in the Li layer. This periodic Ni occupancy gives rise to extra diffraction reflections, which are qualitatively similar to those of the LiNi 2 O 4 spinel structure, but these surface phases have a lower Ni valence state and cation content than spinel. Furthermore, these experimental results confirm the presence of thermodynamically stable surface phases and provide new insights into the phenomena of surface phase formation in Ni-rich layered structures.

25 ENERGY STORAGE↗
DOE OSTI2022

A study of degradation mechanisms in PVDF-based photovoltaic backsheets

Abstract Commercial backsheets based on polyvinylidene fluoride (PVDF) can experience premature field failures in the form of outer layer cracking. This work seeks to provide a better understanding of the changes in material properties that lead to crack formation and find appropriate accelerated tests to replicate them. The PVDF-based backsheet outer layer can have a different structure and composition, and is often blended with a poly(methyl methacrylate) (PMMA) polymer. We observed depletion of PMMA upon aging with sequential (MAST) and combined (C-AST) accelerated stress testing. In field-aged samples from Arizona and India, where PVDF crystallizes in its predominant α-phase, the degree of crystallinity greatly increased. MAST and C-AST protocols were, to some extent, able to replicate the increase in crystallinity seen in PVDF after ~ 7 years in the field, but no single-stress test condition (UV, damp heat, thermal cycling) resulted in significant changes in the material properties. The MAST regimen used here was too extreme to produce realistic degradation, but the test was useful in discovering weaknesses of the particular PVDF-based outer layer structure studied. No excessive β-phase formation was observed after aging with any test condition; however, the presence of β-phase was identified locally by Fourier transform infrared spectroscopy (FTIR). We conclude that both MAST and C-AST are relevant tests for screening outdoor failure mechanisms in PVDF backsheets, as they were successful in producing material degradation that led to cracking.

14 SOLAR ENERGY↗