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NASA NTRS1993

IRAS studies of galactic supershells

Using IRAS Skyflux images and a new catalog of OB stars in the Cygnus region, a complete infrared supershell surrounding the Cyg OB1 Association was identified. This supershell is seen as a conspicuous, well-defined 2 deg x 5 deg region deficient of IR emission, with a limb-brightened edge and dimensions of about 50 x 130 pc at 1.5 kpc. The shell's elongated morphology is consistent with OB-star subclustering over the approximately 10(exp 6) yr age of the bubble. With a parent star cluster still visible (10 O stars between 25 and 45 solar mass, 3 - 4 Wolf-Rayet stars, and the possibility of 3 - 5 more massive stars that died as supernovae) the Cyg OB1 supershell is an excellent object for studying the formation and evolution of Galactic supershells. A discrepancy between the less than or equal to 1 Myr bubble age estimated from its size and the 5 Myr cluster turnoff age (45 solar mass) may require non-coeval massive star formation to explain the number of post-main-sequence stars and limit the number of past supernovae.

Saken, Jon M.↗

NASA NTRS1993

Central star formation in early-type galaxies: Images and implications

We are reporting on an on-going study of strong central star-bursts in early type galaxies. These galaxies are brighter than m(pg) = 14.5 and are classified as type SO, SO/a, or Sa in the Uppsala General Catalog. All of them have unusually warm, bright far infrared sources for early-type galaxies, with F(100 microns)/F(60 microns) less than 2.0 and F(60 microns) greater than 2.5 Jy. Much of the infrared emission comes from the central few arcsec. Most of the galaxies were detected at 2380 MHz at Arecibo, with flux densities between 15 and 33 mJy. They have diffuse radio sources with a variety of morphologies, typically a few kpc in extent. Long slit spectra through the nucleus show that all have Balmer absorption lines, signifying a large B or A star population, and (O2) 3727 and Balmer emission lines, consistent with ionization by hot young stars. We have made optical continuum and emission line images of the galaxies to use in combination with the above data to study the causes and evolution of strong central star-bursts in early-type disk systems.

Dressel, L. L.↗

NASA NTRS1993

The effect of Livermore OPAL opacities on the evolutionary masses of RR Lyrae stars

We have investigated the effect of the new Livermore OPAL opacities on the evolution of horizontal-branch (HB) stars. This work was motivated by the recent stellar pulsation calculations using the new Livermore opacities, which suggest that the masses of double-mode RR Lyrae stars are 0.1-0.2 solar mass larger than those based on earlier opacities. Unlike the pulsation calculations, we find that the effect of opacity change on the evolution of HB stars is not significant. In particular, the effect of the mean masses of RR Lyrae stars is very small, showing a decrease of only 0.01-0.02 solar mass compared to the models based on old Cox-Stewart opacities. Consequently, with the new Livermore OPAL opacities, both the stellar pulsation and evolution models now predict approximately the same masses for the RR Lyrae stars. Our evolutionary models suggest that the mean masses of the RR Lyrae stars are about 0.76 and about 0.71 solar mass for M15 (Oosterhoff group II) and M3 (group I), respectively. If (alpha/Fe) = 0.4, these values are decreased by about 0.03 solar mass. Variations of the mean masses of RR Lyrae stars with HB morphology and metallicity are also presented.

Yi, Sukyoung↗

NASA NTRS2005

Testing Spatial Correlation of Subduction Interplate Coupling and Forearc Morpho-Tectonics

Subduction zones that are capable of generating great (Mw greater than 8) earthquakes appear to have a common assemblage of forearc morphologic elements. Although details vary, each have (from the trench landward), an accretionary prism, outer arc high, outer forearc basin, an inner forean: basin, and volcanic arc. This pattern is common in spite of great variation in forearc architecture. Because interseismic strain is known to be associated with a locked seismogenic plate interface, we infer that this common forearc morphology is related, in an unknown way, to the process of interseismic Strain accumulation and release in great earthquakes. To date, however, no clear relationship between the subduction process and the common elements of upper plate form has emerged. Whereas certain elements of the system, i.e. the outer arc high, are reasonably well- understood in a structural context, there is little understanding of the structural or topographic evolution of the other key elements like the inner arc and inner forearc basin, particularly with respect to the coupled zone of earthquake generation. This project developed a model of the seismologic, topographic, and uplift/denudation linkages between forearc topography and the subduction system by: 1) comparing geophysical, geodetic, and topographic data from subduction margins that generate large earthquakes; 2) using existing GPS, seismicity, and other data to model the relationship between seismic cycles involving a locked interface and upper-plate topographic development; and 3) using new GPS data and a range-scale topographic, uplift, and denudation analysis of the presently aseismic Cascadia margin to constrain topographic/plate coupling relationships at this poorly understood margin.

Goldfinger, Chris↗

NASA NTRS2008

Tracing the Mass-Dependent Star Formation History of Late-Type Galaxies using X-ray Emission: Results from the CHANDRA Deep Fields

We report on the X-ray evolution over the last approx.9 Gyr of cosmic history (i.e., since z = 1.4) of late-type galaxy populations in the Chandra Deep Field-North and Extended Chandra Deep Field-South (CDF-N and E-CDF-S. respectively; jointly CDFs) survey fields. Our late-type galaxy sample consists of 2568 galaxies. which were identified using rest-frame optical colors and HST morphologies. We utilized X-ray stacking analyses to investigate the X-ray emission from these galaxies, emphasizing the contributions from normal galaxies that are not dominated by active galactic nuclei (AGNs). Over this redshift range, we find significant increases (factors of approx. 5-10) in the X-ray-to-optical mean luminosity ratio (L(sub x)/L(sub B)) and the X-ray-to-stellar-mass mean ratio (L(sub x)/M(sub *)) for galaxy populations selected by L(sub B) and M(sub *), respectively. When analyzing galaxy samples selected via SFR, we find that the mean X-ray-to-SFR ratio (L(sub x)/SFR) is consistent with being constant over the entire redshift range for galaxies with SFR = 1-100 Solar Mass/yr, thus demonstrating that X-ray emission can be used as a robust indicator of star-formation activity out to z approx. 1.4. We find that the star-formation activity (as traced by X-ray luminosity) per unit stellar mass in a given redshift bin increases with decreasing stellar mass over the redshift range z = 0.2-1, which is consistent with previous studies of how star-formation activity depends on stellar mass. Finally, we extend our X-ray analyses to Lyman break galaxies at z approx. 3 and estimate that L(sub x)/L(sub B) at z approx. 3 is similar to its value at z = 1.4.

Lehmer, B.D↗

DOE OSTI2023

Insights into Waterflooding in Hydrocarbon-Bearing Nanochannels of Varying Cross Sections from Mesoscopic Multiphase Flow Simulations

Waterflooding is one of the geotechnique used to recover fuel sources from nanoporous geological formations. The scientific understanding of the process that involves the multiphase flow of nanoconfined fluids, however, has lagged, mainly due to the complex nanopore geometries and chemical compositions. To enable benchmarked flow of nanoconfined fluids, the architected geomaterials, such as synthesized mesoporous silica with tunable pore shapes and surface chemical properties, are used for designing and conducting experiments and simulations. This work uses a modified many-body dissipative particle dynamics (mDPD) model with accurately calibrated parameters to perform parametric flow simulations for studying the influences of waterflooding driven power, pore shape, surface roughness, and surface wettability on the multiphase flow in heptane-saturated silica nanochannels. Remarkably, up to 80\% reduction in the effective permeability is found for water-driven heptane flow in a baseline 4.5 nm-wide slit channel, when compared with the Hagen–Poiseuille equation. In the 4.5 nm-wide channels with architected surface roughness, the flow rate is found either higher or lower than the baseline case, depending on the shape and size of cross-sections. High wettability of the solid surface to water is essential for achieving high recovery of heptane, regardless of surface roughness. When the solid surface is less wetting or non-wetting to water, the existence of an optimal waterflooding driven power is found to allow for the highest possible recovery. A detailed analysis on the evolution of the transient water-heptane interface in those nanochannels is presented to elucidate the underlying mechanisms that impact or dictate the multiphase flow behaviors.

58 GEOSCIENCES↗

DOE OSTI2021

High-speed characterization of two-phase flow and bubble dynamics in titanium felt porous media for hydrogen production

Bubble dynamics and two-phase flow phenomena are closely related to the performance of proton exchange membrane electrolyzer cells (PEMECs). This paper reports an in-situ study of the oxygen bubble behavior and associated multiphase evolutions in the anode side of PEMECs with titanium (Ti) felt liquid gas diffusion layers (LGDLs) by a high-speed visualization system. The micro oxygen bubble dynamics was captured and analyzed at different locations and virous operating conditions. The results show that the bubble detachment frequency and detachment diameter greatly increase with the operating current density. Additionally, they are significantly impacted by the local pore structure and morphology of Ti felt LGDLs. In the flow channels, there exist only several discrete micro bubbles at a low current density (0.04 A/cm 2 ) and a large flow velocity (133 mm/s). At a current density (0.2 A/cm 2 ) and a flow velocity (67 mm/s), a number of gas slugs are formed in the follow channels, in addition to discrete micro bubbles. At a high current density (1 A/cm 2 ) and a flow velocity (67 mm/s), more bubbles appear in the channel, and the flow field is dominated by slug or annular flows. These investigations can help to better understand the two-phase flow and bubble detachment mechanism, and provide a foundation for electrochemical reaction, multiphase flow studies and optimize the design of gas diffusion layers and flow fields for PEMECs in the future.

08 HYDROGEN↗

DOE OSTI2026

Nanostructuring and Underscreening of Bisalt Electrolytes with Dual-Anion Effects: Insights from Small-Angle Scattering Prepeak Analysis

Using small-angle neutron scattering, we studied the nanostructure of a prototypical D(H)-bonded network electrolyte, alkaline sodium aluminate bisalt, at concentrations up to solute volume fraction of ~0.5. Analysis of the structure factor prepeak at 0.1 < Q < 1.0 Å-1 showed that its evolution is associated with nanoscopic species distribution in water-anion network., with differences in characteristic distance d between OD- and Al(OD)4- anions related to their distinct sizes and interactions. When the solute volume fraction approached 0.5, a common/maximum value of ~4.5 Å was found for the correlation length ? that characterizes the electrostatic force in concentrated electrolyte solution before precipitation occurred. This implies that the solutions’ morphology and behavior at high concentrations may be governed by geometric factors, rather than the chemistry of the specific anion. Furthermore, the scaling of ? with concentration yielded an exponent of 1.25(1), suggesting that ? is limited to a few Å. By combining the current observations of structural heterogeneity at the nanoscale, with dynamic heterogeneity at the microscopic scale from our previous quasi-elastic neutron scattering study, we have established a structural origin of local “caging” and restricted structural relaxation processes. These local solvent-solute interactions not only control dynamics heterogeneity in concentrated electrolytes but also are responsible for crystallization processes in industrial setting, such as aluminum production and radioactive waste treatment.

Wang, Hsiu-Wen↗

DOE OSTI2022

Deciphering the influence of high-flux helium plasma exposure on tungsten nanostructure growth using real-time, in situ spectroscopic ellipsometry

In situ analysis of surfaces during high-flux plasma exposure represents a long-standing challenge in the study of plasma–material interactions. While post-mortem microscopy can provide a detailed picture of structural and compositional changes, in situ techniques can capture the dynamic evolution of the surface. In this study, we demonstrate how spectroscopic ellipsometry can be applied to the real-time characterization of W nanostructure (also known as “fuzz”) growth during exposure to low temperature, high-flux He plasmas. Strikingly, over a wide range of sample temperatures and helium fluences, the measured ellipsometric parameters (Ψ,Δ) collapse onto a single curve that can be directly correlated with surface morphologies characterized by ex situ helium ion microscopy. The initial variation in the (Ψ,Δ) parameters appears to be governed by small changes in surface roughness (<50 nm) produced by helium bubble nucleation and growth, followed by the emergence of 50 nm diameter W tendrils. This basic behavior appears to be reproducible over a wide parameter space, indicating that the spectroscopic ellipsometry may be of general practical use as a diagnostic to study surface morphologies produced by high-flux He implantation in refractory metals. An advantage of the methods outlined here is that they are applicable at low incident ion energies, even below the sputtering threshold. As an example of this application, we apply in situ ellipsometry to examine how W fuzz growth is affected both by varying ion energy and the temperature of the surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Theory and simulations of linear and nonlinear two-dimensional Rayleigh–Taylor dynamics with variable acceleration

Interfacial Rayleigh–Taylor mixing is crucial to describing important natural and engineering processes, such as exploding supernovae, laser micromachining, hot spots in inertial confinement fusion, and optical telecommunications. These require the characterization of the time dependence of the driving acceleration. We compare our theoretical formulation based on group theory foundations with interface-capturing numerical simulations for linear and nonlinear two-dimensional Rayleigh–Taylor instabilities in a finite-sized domain with time-varying acceleration over broad ranges of Atwood numbers and acceleration exponents. Detailed corroboration between theory and simulations is provided for this foundational case. Both demonstrate the strong interfacial nature of Rayleigh–Taylor instabilities, which suggests that practical flow fields can be reconstructed from the derived fluid potential using the proposed theory. A robust agreement is also obtained for the early and late-time evolution of the amplitudes of the bubble and spike, which demonstrate that the Rayleigh–Taylor flow can transition to the mixing regime even for a single-mode initial perturbation. Corroboration with experiments of high energy density plasmas motivated by studies of supernovae is also achieved. In addition, a long-standing puzzle in Rayleigh–Taylor dynamics on the interplay between the acceleration, the shear, and the interface morphology in the theory and simulations is resolved by accounting for finite viscosity of the fluids. The characterization of Rayleigh–Taylor instabilities as a highly interfacial phenomenon provides valuable insight into its multiscale nature, which enhances the design and understanding of numerous processes of practical interest.

42 ENGINEERING↗

DOE OSTI2023

Using defects as a ‘fossil record’ to help interpret complex processes during additive manufacturing: as applied to raster-scanned electron beam powder bed additively manufactured Ti–6Al–4V

Abstract Defects in parts produced by additive manufacturing, instead of simply being perceived as deleterious, can act as important sources of information associated with the complex physical processes that occur during materials deposition and subsequent thermal cycles. Indeed, they act as materials-state ‘fossil’ records of the dynamic AM process. The approach of using defects as epoch-like records of prior history has been developed while studying additively manufactured Ti–6Al–4V and has given new insights into processes that may otherwise remain either obscured or unquantified. Analogous to ‘epochs,’ the evolution of these defects often is characterized by physics that span across a temporal length scale. To demonstrate this approach, a broad range of analyses including optical and electron microscopy, X-ray computed tomography, energy-dispersive spectroscopy, and electron backscatter diffraction have been used to characterize a raster-scanned electron beam Ti–6Al–4V sample. These analysis techniques provide key characteristics of defects such as their morphology, location within the part, complex compositional fields interacting with the defects, and structures on the free surfaces of defects. Observed defects have been classified as banding, spherical porosity, and lack of fusion. Banding is directly related to preferential evaporation of Al, which has an influence on mechanical properties. Lack-of-fusion defects can be used to understand columnar grain growth, fluid flow of melt pools, humping, and spattering events. Graphical abstract

36 MATERIALS SCIENCE↗

DOE OSTI2025

Dynamics and Formation of Antiferromagnetic Textures in MnBi 2 Te 4 Single Crystal

We report coherent X-ray imaging of antiferromagnetic (AFM) domains and domain walls in MnBi 2 Te 4 , an intrinsic AFM topological insulator. This technique enables direct visualization of domain morphology without reconstruction algorithms, allowing us to resolve antiphase domain walls as distinct dark lines arising from the A-type AFM structure. The wall width is determined to be 550(30) nm, in good agreement with earlier magnetic force microscopy results. The temperature dependence of the AFM order parameter extracted from our images closely follows previous neutron scattering data. Remarkably, however, we find a pronounced hysteresis in the evolution of domains and domain walls: upon cooling, dynamic reorganizations occur within a narrow ∼1 K interval below 𝑇 𝑁 , whereas upon warming, the domain configuration remains largely unchanged until AFM order disappears. These findings reveal a complex energy landscape in MnBi 2 Te 4 , governed by the interplay of exchange, anisotropy, and domain-wall energies, and underscore the critical role of AFM domain-wall dynamics in shaping its physical properties. These sharply defined and hysteretically evolving walls may provide a controllable AFM texture in MnBi 2 Te 4 , hinting at potential use in low-power spintronic devices based on domain-wall dynamics.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Anisotropic interface kinetics and tilted cells in unidirectional solidification

A nonlinear evolution equation is derived which governs the cellular structure of a binary alloy with a small segregation coefficient, including the effects of anisotropic interface kinetics. This equation, applicable to long-wave instabilities of a planar interface, describes the spatial pattern of the growing disturbances. The presence of anisotropy causes the cells to grow at an angle to the normal of the planar front. This transition to a cellular morphology is shown to be a subcritical instability.

Young, G. W.↗

NASA NTRS1991

Venus volcanism - Initial analysis from Magellan data

Magellan images confirm that volcanism is widespread and has been fundamentally important in the formation and evolution of the crust of Venus. High-resolution imaging data reveal evidence for intrusion (dike formation and cryptodomes) and extrusion (a wide range of lava flows). Also observed are thousands of small shield volcanoes, larger edifices up to several hundred kilometers in diameter, massive outpourings of lavas, and local pyroclastic deposits. Although most features are consistent with basaltic compositions, a number of large pancake-like domes are morphologically similar to rhyolite-dacite domes on earth. Flows and sinuous channels with lengths of many hundreds of kilometers suggest that extremely high effusion rates or very fluid magmas (perhaps komantiites) may be present. Volcanism is evident in various tectonic settings (coronae, linear extensional and compressional zones, mountain belts, upland rises, highland plateaus, and tesserae). Volcanic resurfacing rates appear to be low (less than 2 cu km/yr) but the significance of dike formation and intrusions, and the mode of crustal formation and loss remain to be established.

Head, James W.↗

DOE OSTI2020

Effect of Water Concentration in LiPF 6 -Based Electrolytes on the Formation, Evolution, and Properties of the Solid Electrolyte Interphase on Si Anodes

A trace amount of water in an electrolyte is one of the factors detrimental to the electrochemical performance of silicon (Si)-based lithium-ion batteries that adversely affect the formation and evolution of the solid electrolyte interphase (SEI) on Si-based anodes and change its properties. Thus far, a lack of fundamental and mechanistic understanding of SEI formation, evolution, and properties in the presence of water has inhibited efforts to stabilize the SEI for improved electrochemical performance. As such, we investigated the SEI formed in a Gen2 electrolyte (1.2 M LiPF6 in ethylene carbonate/ethyl methyl carbonate, 3:7 wt %, water content: <10 ppm) with and without additional water (50 ppm) at varying potentials (1.0, 0.5, 0.2, and 0.01 V vs Li/Li + ). The impact of additional water on the morphological, (electro)chemical, and structural properties of SEI was studied using microscopic (atomic force microscopy and scanning spreading resistance microscopy) and spectroscopic (X-ray photoelectron spectroscopy, attenuated total reflection Fourier-transform infrared spectroscopy, and time-of-flight secondary ion mass spectrometry) techniques. The SEI exhibits both potential- and water concentration-dependent trends in its morphology and chemical composition. The presence of additional water in the electrolyte causes parasitic reactions, which onset at ~1.0 V, resulting in a reduction of electrolyte components and result in the formation of an insulating, fluorophosphate-rich SEI. In addition, hydrolysis of LiPF 6 creates hydrofluoric acid, which reacts with the surface oxide layer on the Si electrode, leading to a pitted and inhomogeneous SEI structure.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Physicochemical Heterogeneity in Silicon Anodes from Cycled Lithium-Ion Cells

The severe capacity fade of lithium-ion cells with silicon-dominant anodes has hindered their widescale commercialization. In this work, we link cell capacity fade to the heterogeneous physicochemical evolution of silicon anodes during battery cycling. Through a multi-length scale characterization approach, we demonstrate that silicon particles near the anode surface react differently than those near the copper current collector. In particular, near the anode surface we find an amorphized wispy silicon encased in a highly fluorinated matrix of electrolyte-reduction products. In contrast, closer to the current collector, the silicon retains more of its initial morphology and structure, suggesting the presence of isolated particles. Here, the results show that accessibility of active silicon to lithium-ions varies across the anode matrix. Material and cell designs, which minimize electrode expansion resulting from the in-filling of pores with the solid electrolyte interphase (SEI), are needed to enhance anode homogeneity during the electrochemical cycling.

25 ENERGY STORAGE↗

DOE OSTI2020

Interaction of hydrogen with actinide dioxide (011) surfaces

The corrosion and oxidation of actinide metals, leading to the formation of metal-oxide surface layers with the catalytic evolution of hydrogen, impacts the management of nuclear materials. In this work, the interaction of hydrogen with actinide dioxide (AnO 2 , An = U, Np, or Pu) (011) surfaces by Hubbard corrected density functional theory (PBEsol+U) has been studied, including spin–orbit interactions and non-collinear 3k anti-ferromagnetic behavior. The actinide dioxides crystalize in the fluorite-type structure, and although the (111) surface dominates the crystal morphology, the (011) surface energetics may lead to more significant interaction with hydrogen. The dissociative adsorption of hydrogen on the UO 2 (0.44 eV), NpO 2 (-0.47 eV), and PuO 2 (-1.71 eV) (011) surfaces has been calculated. It is found that hydrogen dissociates on the PuO 2 (011) surface; however, UO 2 (011) and NpO 2 (011) surfaces are relatively inert. Recombination of hydrogen ions is likely to occur on the UO 2 (011) and NpO 2 (011) surfaces, whereas hydroxide formation is shown to occur on the PuO 2 (011) surface, which distorts the surface structure.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Identification of ancestral gnathostome Gli3 enhancers with activity in mammals

Abnormal expression of the transcriptional regulator and hedgehog (Hh) signaling pathway effector Gli3 is known to trigger congenital disease, most frequently affecting the central nervous system (CNS) and the limbs. Accurate delineation of the genomic cis-regulatory landscape controlling Gli3 transcription during embryonic development is critical for the interpretation of noncoding variants associated with congenital defects. Here, we employed a comparative genomic analysis on fish species with a slow rate of molecular evolution to identify seven previously unknown conserved noncoding elements (CNEs) in Gli3 intronic intervals (CNE15–21). Transgenic assays in zebrafish revealed that most of these elements drive activities in Gli3 expressing tissues, predominantly the fins, CNS, and the heart. Intersection of these CNEs with human disease associated SNPs identified CNE15 as a putative mammalian craniofacial enhancer, with conserved activity in vertebrates and potentially affected by mutation associated with human craniofacial morphology. Finally, comparative functional dissection of an appendage-specific CNE conserved in slowly evolving fish (elephant shark), but not in teleost (CNE14/hs1586) indicates co-option of limb specificity from other tissues prior to the divergence of amniotes and lobe-finned fish. In conclusion, these results uncover a novel subset of intronic Gli3 enhancers that arose in the common ancestor of gnathostomes and whose sequence components were likely gradually modified in other species during the process of evolutionary diversification.

59 BASIC BIOLOGICAL SCIENCES↗