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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

H I Gas and Star Formation in Major Galaxy Pairs from the FAST All Sky H I Survey (FASHI)

Atomic hydrogen (H I ) plays a fundamental role in fueling star formation in galaxies. However, the behavior of H I gas in interacting systems, particularly galaxy pairs, remains elusive. In this work, we investigate the H I content of major mergers by crossmatching the extragalactic H I catalog from the Five-hundred-meter Aperture Spherical radio Telescope (FAST) All-Sky H I Survey with a previously established sample of isolated galaxy pairs. With the superior sensitivity of FAST, we have constructed the largest sample of major mergers with H I detections, consisting of 440 galaxy pairs: 364 spiral-spiral (S+S) and 76 spiral-elliptical (S+E) systems. We examine the H I gas fraction (f H I ), star formation rate (SFR), and H I star formation efficiency (SFE H I = SFR/M H I ) for individual galaxies in pairs. The control sample is matched in both stellar mass and redshift. We find that paired galaxies, particularly those in pairs with small projected separations (d p < 50 h −1 kpc), exhibit systematically lower (by 8.8%) H I gas fractions compared to the control galaxies. The SFR is enhanced for galaxies in the S+S pairs. The SFE H I is ∼15% higher for galaxies in the S+S pairs than in the control galaxies, while spiral galaxies in the S+E pairs show no significant difference in SFE H I compared to the control sample. These findings suggest that the merger process triggers efficient H I gas depletion and enhances star formation, especially in close S+S pairs. Notably, our sample includes 26 red spirals in paired systems. These galaxies exhibit H I deficiency and suppressed star formation activity compared to the isolated galaxies, indicating that interactions may affect quiescent spirals differently, potentially due to mechanisms similar to those of ellipticals.

Yan, Shulan 淑澜鄢 [Xiamen University (China); SDSS C↗
DOE OSTI2023

Compact Steep Spectrum Radio Sources with Enhanced Star Formation Are Smaller Than 10 kpc

Compact steep spectrum (CSS) radio sources are active galactic nuclei (AGN) that have radio jets propagating only on galactic scales, defined as having projected linear size (LS) of up to 20 kpc. CSS sources are generally hosted by massive early-type galaxies with little ongoing star formation; however, a small fraction are known to have enhanced star formation. Using archival data from the Faint Images of the Radio Sky at Twenty cm survey, the Very Large Array Sky Survey, and the Sloan Digital Sky Survey, we identify a volume-limited sample of 166 CSS sources at z < 0.2 with L 1.4 GHz > 10 24 W Hz -1 . Comparing the star formation rates and linear sizes of these CSS sources, we find that the ≈14% of CSS sources with specific star formation rates above 0.01 Gyr -1 all have LS < 10 kpc. We discuss the possible mechanisms driving this result, concluding that it is likely the excess star formation in these sources occurred in multiple bursts and ceased prior to the AGN jet being triggered.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Experimental observations of detached bow shock formation in the interaction of a laser-produced plasma with a magnetized obstacle

The magnetic field produced by planets with active dynamos, like the Earth, can exert sufficient pressure to oppose supersonic stellar wind plasmas, leading to the formation of a standing bow shock upstream of the magnetopause, or pressure-balance surface. Scaled laboratory experiments studying the interaction of an inflowing solar wind analog with a strong, external magnetic field are a promising new way to study magnetospheric physics and to complement existing models, although reaching regimes favorable for magnetized shock formation is experimentally challenging. This paper presents experimental evidence of the formation of a magnetized bow shock in the interaction of a supersonic, super-Alfvenic plasma with a strongly magnetized obstacle at the OMEGA laser facility. The solar wind analog is generated by the collision and subsequent expansion of two counter- propagating, laser-driven plasma plumes. The magnetized obstacle is a thin wire, driven with strong electrical currents. Hydrodynamic simulations using the FLASH code predict that the colliding plasma source meets the criteria for bow shock formation. Spatially resolved, optical Thomson scat- tering measures the electron number density, and optical emission lines provide a measurement of the plasma temperature, from which we infer the presence of a fast magnetosonic shock far upstream of the obstacle. Proton images provide a measure of large-scale features in the magnetic field topology, and reconstructed path-integrated magnetic field maps from these images suggest the formation of a bow shock upstream of the wire and as a transient magnetopause. We compare features in the reconstructed fields to two-dimensional MHD simulations of the system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Understanding Solid-Electrolyte Interphase Formation at the Lithium Metal Anode of Lithium-Sulfur Batteries

Lithium-sulfur (Li-S) batteries are one of the most promising chemistries for the next generation of energy storage devices. In a standard Li-S cell, the metallic lithium anode is an essential component of the battery due to its low density, extremely high theoretical specific capacity, and very low negative electrochemical potential. However, several challenges related to the use of Li metal have prevented this battery technology from becoming commercially available. For instance, Li-anodes are highly reactive, which results in the continuous decomposition of the electrolyte and the formation of the solid-electrolyte interphase (SEI) layer. This, combined with the non-uniform deposition of Liions during plating at the anode surface, can seriously affect the performance, cycling, and safety of the battery. In addition, it has been suggested that a controlled SEI formation at the metallic Li anode can yield enhanced battery performance. Hence, a comprehensive understanding of how the SEI layer is formed can help elucidate improvements in this battery technology. In this work, the formation of the SEI layer in Li-S batteries is investigated using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. The stability of liquid organic-based electrolyte components, salt concentration, electron-rich environments, and the use of inorganic solid-state electrolyte (SSE) materials are explored in order to provide molecular-level fundamental insights into how the nature and composition of the electrolyte can alter the initial stages of the SEI formation. The products of electrolyte decomposition and electro-/chemical reaction pathways of liquid electrolyte component such as solvent and salts are predicted from AIMD simulations of electrolyte-anode interfaces. Energetics of reactions from DFT ground-state optimizations are also presented to confirm the decomposition mechanisms. Some significant differences are then drawn regarding the use of low and high salt concentrations. Simulations under electron-rich environments show additional multielectron electrochemical reactions of solvent and salt decomposition taking place due to the excess of electrons and the presence of radical anions in the solution. Finally, the initial stages of formation, stability, and main constituents of interfaces between Li-metal and Sbased electrodes with sulfide-based SSEs are characterized in detail.

25 ENERGY STORAGE↗
DOE OSTI2022

Efficient Pd on carbon catalyst for ammonium formate dehydrogenation: Effect of surface oxygen functional groups

Formate solution is one of a kind promising liquid organic hydrogen carrier but suffers from kinetic challenges. This study investigates the kinetics of the surfacefunctionalized Pd on carbon catalysts for formate dehydrogenation and the impact of O-functional groups. Here, the fraction of the distinguished O-functional groups was modulated by the different concentrated HNO 3 solutions treatment or by H 2 reduction. This study shows that the O-functional groups play critical roles in dispersing Pd nanoparticles and decreasing the activation energy for dehydrogenation. Density functional theory (DFT) calculation reveals that most O-functional groups enhance formate adsorption on the Pd active site. However, the existence of C=O groups consumes reducing agents and hinders the formation of metallic Pd. The electron transfer from Pd to oxygen functional groups is unfavorable to dehydrogenation. The as-prepared Pd5/re-ACA (reduced activated carbon washed by acid) exhibited significant activity with a higher turnover frequency of 13,511 h -1 than commercial Pd/C.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The dark side of galaxy stellar populations – II. The dependence of star-formation histories on halo mass and on the scatter of the main sequence

Nearby galaxies are the end result of their cosmological evolution, which is predicted to be influenced by the growth of their host dark matter haloes. This co-evolution potentially leaves signatures in present-day observed galaxy properties, which might be essential to further understand how the growth and properties of galaxies are connected to those of their host haloes. In this work, we study the evolutionary histories of nearby galaxies both in terms of their host haloes and the scatter of the star-forming main sequence by investigating their time-resolved stellar populations using absorption optical spectra drawn from the Sloan Digital Sky Survey. We find that galaxy star-formation histories depend on the masses of their host haloes, and hence they shape the evolution of the star-forming main sequence over cosmic time. Additionally, we also find that the scatter around the z = 0 star-forming main sequence is not (entirely) stochastic, as galaxies with currently different star-formation rates have experienced, on average, different star-formation histories. Furthermore, our findings suggest that dark matter haloes might play a key role in modulating the evolution of star formation in galaxies, and thus of the main sequence, and further demonstrate that galaxies at different evolutionary stages contribute to the observed scatter of this relation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Dynamic Evaluation of the Upper Tyler Formation and Well Stimulation Fluid Interactions Using Micro-CT Imaging

Abundant concentrations of swelling clays in the oil-bearing upper Tyler Formation inhibit unconventional well stimulation techniques and associated long-term oil and gas production success. Laboratory evaluation of the geochemical interactions between the formation material and various stimulation fluids may help identify innovative approaches that provide a solution to successful well stimulation and subsequent oil production. The objective of this research was to understand the complexities of well stimulation fluid and clay mineral interactions within the Tyler Formation and identify potential fracturing fluid formulations that mitigate swelling properties of the clays in the reservoir to enhance stimulation success and promote long-term oil and gas production. Collaboration with the National Energy Technology Laboratory (NETL), utilizing their Tescan DynaTOM micro-CT analysis instrumentation, provided an innovative approach to understand real-time, dynamic interactions of the formation material and various potential stimulation fluids. Results are anticipated to identify key mechanisms occurring at the micro-scale level and provide insight into modified stimulation techniques uniquely suited for successful production applications.

enhanced oil recovery↗
DOE OSTI2022

Revealing the Transient Formation Dynamics and Optoelectronic Properties of 2D Ruddlesden–Popper Phases on 3D Perovskites

Using in situ photoluminescence measurements during the spin-coating and annealing steps, this study probes the formation of 2D layers on 3D triple cation perovskite films comparing phenylethylammonium and 2-thiophenemethylammonium iodide bulky cations. This study elucidates the formation mechanisms of the surface layers for both cases and reveals two regimes during 2D layer formation: a kinetic-driven and a thermodynamic-driven process. These driving forces result in different compositions of the 2D/3D interface for each treatment, namely, different ratios of pure 2D (n = 1) and quasi-2D (n > 1) structures. Further, this study shows that a higher ratio of quasi-2D phases is more beneficial for device performance, as pure-2D layers may hamper current extraction. Due to a more evenly distributed formation energy profile among 2D and quasi-2D phases, highly concentrated 2-thiophenemethylammonium iodide appears to be more suited for effective surface passivation than its phenylethylammonium analog.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Comparison of Solid Electrolyte Interphase Formation and Evolution on Highly Oriented Pyrolytic and Disordered Graphite Negative Electrodes in Lithium–Ion Batteries

The presence and stability of solid electrolyte interphase (SEI) on graphitic electrodes is vital to the performance of lithium-ion batteries (LIBs). However, the formation and evolution of SEI remain the least understood area in LIBs due to its dynamic nature, complexity in chemical composition, heterogeneity in morphology, as well as lack of reliable in situ/operando techniques for accurate characterization. In addition, chemical composition and morphology of SEI are not only affected by the choice of electrolyte, but also by the nature of the electrode surface. While introduction of defects into graphitic electrodes has promoted their electrochemical properties, how such structural defects influence SEI formation and evolution remains an open question. In this work, utilizing nondestructive operando electrochemical atomic force microscopy (EChem-AFM) the dynamic SEI formation and evolution on a pair of representative graphitic materials with and without defects, namely, highly oriented pyrolytic and disordered graphite electrodes, are systematically monitored and compared. Complementary to the characterization of SEI topographical and mechanical changes during electrochemical cycling by EChem-AFM, chemical analysis and theoretical calculations are conducted to provide mechanistic insights underlying SEI formation and evolution. The results provide guidance to engineer functional SEIs through design of carbon materials with defects for LIBs and beyond.

25 ENERGY STORAGE↗
DOE OSTI2024

Can we mitigate tropical cyclone formation using aerosols? A review of cyclogenesis and aerosol effects as a theoretical basis

Tropical cyclogenesis is a complex phenomenon, involving processes across multiple scales, with various theories proposed to explain its mechanisms. This paper provides an up-to-date summary of the established physical mechanisms and controlling factors of cyclogenesis. Understanding the nature of tropical cyclone formation is necessary to improve tropical cyclone forecasts and inform tropical cyclone mitigation strategies targeting early-stage intervention. Despite the disparities among theories, the critical role of persistent, intensified convection in tropical cyclone initiation is universally acknowledged. Therefore, our hypothesis is that interrupting convective development using aerosol injection is a potential strategy for mitigating tropical cyclone formation. Targetted injection of coarse and fine aerosols at the formation stage are two proposed potential approaches for mitigating tropical cyclones. These methods have completely different microphysical effects but each may ultimately interfere with the formation of the nascent cyclone. In conclusion, these potential interventions open new areas of further research, which are important and necessary to establish a solid scientific foundation for cyclogenesis mitigation.

Tropical cyclone formation↗
DOE OSTI2022

Competitive effects of glucan’s main hydrolysates on biochar formation: A combined experiment and density functional theory analysis

We report the complexity of polysaccharide hydrothermal products increases the difficulty of exploring the formation of biochar, limiting the development of biochar. This work clarifies the completive effects of glucan’s main hydrolysates on biochar formation from three aspects: experimental, thermodynamic, and kinetic. The products distribution illustrates that 5-HMF, FA, and LA are mainly involved in the formation of biochar. Biochar mainly includes furan ring, ether group, and ester group by the analysis of magic-angle-spinning nuclear magnetic resonance, X-ray photoelectron spectroscopy, and elemental analysis. Combined experiments and density functional theory analysis, the etherification reaction of 5-HMF itself is most likely to occur and is key to form biochar, followed by the esterification of FA with 5-HMF, and then the etherification of 5-HMF and LA. The further verified experiments also manifest these results. This work will develop a foundation for exploring the complex formation mechanism of cellulose-based biochar.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

The crystal structure of a new calcium aluminate phase containing formate

A new calcium aluminate phase containing formate ions was synthesized and its crystal structure determined. This new phase is indicated as M-phase and was firstly observed in Portland cement pastes hydrated in presence of Ca-formate and in excess of water. The crystal structure of the M-phase was successfully solved in the R-3 space group of the trigonal system on the basis of synchrotron X-ray single crystal diffraction data. The structural model was confirmed by Rietveld refinement of the powder diffraction data acquired on the synthesized pure sample. The crystal structure of the M-phase is similar to that of ettringite, being characterized by columns of AlO{sub 6} octahedra alternating with groups of three edge-sharing CaO{sub 7} polyhedra. The formate ions (HCOO){sup −} share two oxygens with Ca polyhedra and are located in the interspace between the columns. The crystal structure of the M-phase testifies the strong interaction occurring between small organic molecules as formate and the calcium aluminate components of Portland cement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Photoelectrocatalytic reduction of CO 2 to formate using immobilized molecular manganese catalysts on oxidized porous silicon

The reduction of carbon dioxide (CO 2 ) to formate using molecular catalysts immobilized on high surface area porous silicon is described. Manganese complexes of the type ( R bpy)Mn(CO) 3 Br (bpy = 2,2′-bipyridine) were prepared with silatrane groups on the bpy ligand for attachment to oxide-coated porous silicon (SiO x -porSi). SiO x -porSi wafers were formed by heating hydrogen-terminated p-type porous silicon wafers under air, and the manganese complexes were immobilized on SiO x -porSi by heating at 80°C. The resulting hybrid photoelectrodes are photoelectrocatalysts for CO 2 reduction in acetonitrile containing 2.0 M triethylamine and 2.0 M isopropanol, yielding formate with high selectivity (>96%) and current density (∼0.6 mA/cm 2 ), excellent reproducibility, and a photovoltage of 280 mV at −1.75 V (versus ferrocenium/ferrocene) under 1 sun illumination. Here, the applied potential is close to the equilibrium potential for CO 2 reduction to formate. This work presents rare examples of immobilized molecular catalysts for CO 2 reduction to formate and the first on semiconducting silicon.

13 HYDRO ENERGY↗
DOE OSTI2022

Group additivity values for the heat of formation of C 2 –C 8 alkanes, alkyl hydroperoxides, and their radicals

A set of 58 group additivity values (GAV) for the calculation of the heat of formation is derived from an extensive and accurate database of 192 ab initio heats of formation. The ab initio values are from companion calculations at the CCSD(T)–F12/cc-pVTZ-F12//B2PLYPD3/cc-pVTZ level of theory employing second order connectivity based hierarchy reference reactions with ANL energies for the reference species. This database of 192 species consists of alkanes (RH), alkyl radicals ($\dot{\text {R}}$), alkyl hydroperoxides (RO 2 H), alkyl-peroxy (R$\dot{\text {O}}$ 2 ) radicals, and hydroperoxy-alkyl ($\dot{\text {Q}}$OOH) radicals of all of the isomers of C 2 –C 5 alkane fuels and a select set of C 6 –C 8 isomers. The GAV and ab initio based enthalpies for this dataset show excellent agreement, with an estimated 2σ uncertainty of 0.9 kcal mol –1 . Among the 58 GAV terms, 40 are refinements of previously reported terms, while 18 are newly developed. These new GAV terms are mainly non-next-nearest neighbor interactions (NNI) and β-corrections. The inclusion of these new groups significantly improves the accuracy of the GAV estimates of the heats of formation. Finally, the updated GAVs can be used with increased confidence to estimate the heats of formation of combustion relevant hydrocarbons and oxygenated hydrocarbons and their corresponding radicals, which are important in predicting low-temperature chemistry and are critical in the development of accurate chemical kinetic models.

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

In situ X-ray imaging of pore formation mechanisms and dynamics in laser powder-blown directed energy deposition additive manufacturing

Directed energy deposition (DED) additive manufacturing (AM) is receiving growing attention in many applications, such as repair, remanufacturing, and fabrication of functionally graded structures. However, the laser-matter interactions and melt pool dynamics in laser DED with powder flow are still unclear, particularly in how pores form and flow inside the melt pool during the process. Understanding the porosity formation mechanisms is critical in the qualification, certification, and overall properties of a DED AM part. Porosity is a common phenomenon and can significantly hinder the quality of DED fabricated parts, as the pores can act as sites of crack nucleation and propagation. Here in this paper, we reveal four types of pore formation mechanisms through in-situ and operando high-speed high-resolution X-ray imaging in the DED AM process. Our results confirm that porosity within the feedstock powder induces pores in the process. We also observed pore formation mechanisms unique to the laser-based, powder-blown DED process as a result of powder delivery, keyhole dynamics, melt pool dynamics, and shield gas. High-speed X-ray images provide direct evidence for pore formation mechanisms and show that the pores related to the interaction between the delivered powder and melt pool are the largest in size in laser-based powder-blown DED AM. These results will guide porosity mitigation, elimination, and control in DED AM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Green synthesis of cellulose formate and its efficient conversion into 5-hydroxymethylfurfural

5-hydroxymethylfurfural (HMF) production from cellulose is a hot topic, while the rigidity of cellulose limits its efficient conversion into HMF. Cellulose formate has exhibited the great potential for HMF production but it’s synthesis via direct formylation of cellulose in formic acid is difficult. We reported a green synthetic route of cellulose formate and its efficient conversion into HMF. Ball milled cellulose formate (BCF) was synthesized via ball milling followed by formylation in formic acid at 80 °C for 0.5 h. The structure of BCF was thoroughly characterized and BCF was subsequently converted to HMF catalyzed by AlCl3 and HCl in dimethyl sulfoxide (DMSO)-H 2 O media. Results showed that ball milling of cellulose for 1–1.5 h efficiently deconstructed its crystallinity and degree of polymerization, boosting its further formylation and catalytic conversion. An overall 66.9% HMF yield from cellulose was achieved at 150 °C for 20 min using BCF derived from cellulose ball milled for 1.5 h as the substrate. BCF exhibits high reactivity toward HMF due to its excellent solubility and accessibility in DMSO-H 2 O media, and the release of formic acid in reaction further facilitates HMF production. BCF synthesized with different ball milling times shows different degrees of substitution of formyl groups, which could serve as an indicator and regulate the HMF production. The green synthesis of cellulose formate creates an efficient pathway for HMF production.

5-hydroxymethylfurfural↗
DOE OSTI2025

Soot formation and precursor chemistry in Counterflow flames of aviation fuel surrogates

To meet market demands, the aviation sector is interested in utilizing drop-in Synthetic Aviation Turbine Fuels (SATF), either as neat fuels or in blends with conventional Jet A. SATF currently approved in standard specifications may have lower aromatic content with significant fractions of normal, branched, and cyclo-alkanes. Fundamental studies on soot formation from aviation fuels (Jet A, SATF) and their surrogate components are essential to understand how fuel composition influences soot and soot precursor formation. Here, this study reports new measurements of polycyclic aromatic hydrocarbons (PAH) and soot in counterflow diffusion flames (CDFs) of aviation fuel surrogates. Both intrusive and non-intrusive diagnostics are employed to determine the profiles of temperature, gas phase species, PAHs (up to C16), and soot volume fraction (SVF) in CDFs of iso-octane and surrogate mixtures. These measurements shed light on the transition of soot precursors to primary soot particles. In addition to serving as a common surrogate component in Jet A surrogate mixtures, iso-octane is a template species for larger, less volatile branched alkanes found in SATF mixtures. The newly developed Lawrence Livermore National Laboratory (LLNL) PAH and soot model successfully captures temperature, precursor species, and SVF profiles for the mixtures and conditions discussed in this work. Finally, a high-fidelity surrogate for Jet A is proposed that matches targeted physical and chemical properties well, while leveraging the wide range of candidate fuel molecules available in the LLNL detailed chemical model. The proposed surrogate formulation is validated against newly acquired measurements of the surrogate and literature measurements of Jet A. These new experiments and simulations provide critical insights into the PAH and soot formation from aviation fuels. Reaction pathways which require further investigation are highlighted, such that future work may bridge the remaining quantitative gaps in predicting soot formation from aviation fuel surrogates and surrogate components.

Aviation fuels↗
DOE OSTI2025

Application of soot carbonization kinetics to deduce meaningful soot formation rates in premixed flat flames

Soot formation rates measured in fuel-rich premixed flat flames are frequently used to calibrate or validate chemical kinetic models of soot formation. Unfortunately, these flames feature an extended region of soot precursor particle inception and carbonization that complicates interpretation of soot measurements and leads to a fundamental inconsistency in the nature of the soot material that is modeled versus what is being measured when using non-intrusive, optical techniques. In the work presented here, previously reported data on two canonical sooting ethylene-air premixed flames at 1 atm pressure are interpreted via a new analysis approach that combines soot optical dispersion coefficient measurements with soot carbonization kinetics. This analytical approach explicitly accounts for the production of poorly ordered soot precursor particle mass and its carbonization over time in the flames, providing a clear distinction between the formation rate of precursor particles and their transformation into ordered, solid soot particulate mass. In particular, the results of the analysis show that the precursor particles form much earlier in the flame than the majority of the carbonized soot and their formation rate is two to three times faster than that of ordered soot. The results also show that particle agglomeration begins when the particles are at an intermediate state of carbonization. In conclusion, these results offer a valuable new interpretation of these important datasets and should lead to substantial improvements in the development and calibration of quantitative soot models.

Soot formation↗