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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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At least 127 records · Page 7

Ethanol Blends and Engine Operating Strategy Effects on Light-Duty Spark-Ignition Engine Particle Emissions

Spark ignition (SI) engines with direct injection (DI) fueling can improve fuel economy and vehicle power beyond that of port fuel injection (PFI). Despite this distinct advantage, DI fueling often increases particle emissions such that SI exhaust may be subject to future particle emissions regulations. Challenges in controlling particle emissions arise as engines encounter varied fuel composition such as intermediate ethanol blends. Furthermore, modern engines are operated using unconventional breathing strategies with advanced cam-based variable valve actuation systems. In this study, we investigate particle emissions from a multi-cylinder DI engine operated with three different breathing strategies, fueling strategies and fuels. The breathing strategies are conventional throttled operation, early intake valve closing (EIVC) and late intake valve closing (LIVC); the fueling strategies are single injection DI (sDI), multi-injection DI (mDI), and PFI; and the fuels are emissions certification gasoline, E20 and E85. The results indicate the dominant factor influencing particle number concentration emissions for the sDI and mDI strategies is the fuel injection timing. Overly advanced injection timing results in particle formation due to fuel spray impingement on the piston, and overly retarded injection timing results in particle formation due to poor fuel and air mixing. In addition, fuel type has a significant effect on particle emissions for the DI fueling strategies. Gasoline and E20 fuels generate comparable levels of particle emissions, but E85 produces dramatically lower particle number concentration. The particle emissions for E85 are near the detection limit for the FSN instrument, and particle number emissions are one to two orders of magnitude lower for E85 relative to gasoline and E20. We found PFI fueling produces very low levels of particle emissions under all conditions and is much less sensitive to engine breathing strategy and fuel type than the DI fueling strategies. The particle number-size distributions for PFI fueling are of the same order for all of the breathing strategies and fuel types and are one to two orders lower than for the sDI fuel injection strategy with gasoline and E20. Remarkably, the particle emissions for E85 under the sDI fueling strategy are similar to particle emissions with a PFI fueling strategy. Thus by using E85, the efficiency and power advantages of DI fueling can be gained without generating high particle emissions.

02 PETROLEUM↗

Size-Controlled Nanoparticles Embedded in a Mesoporous Architecture Leading to Efficient and Selective Hydrogenolysis of Polyolefins

A catalytic architecture, comprising a mesoporous silica shell surrounding platinum nanoparticles (NPs) supported on a solid silica sphere (mSiO2/Pt-X/SiO2; X is the mean NP diameter), catalyzes hydrogenolysis of melt-phase polyethylene (PE) into a narrow C23-centered distribution of hydrocarbons in high yield using very low Pt loadings (~10 -5 g Pt/g PE). During catalysis, a polymer chain enters a pore and contacts a Pt NP where the C–C bond cleavage occurs and then the smaller fragment exits the pore. mSiO 2 /Pt/SiO 2 resists sintering or leaching of Pt and provides high yields of liquids; however, many structural and chemical effects on catalysis are not yet resolved. Here, we report the effects of Pt NP size on activity and selectivity in PE hydrogenolysis. Time-dependent conversion and yields and a lumped kinetics model based on the competitive adsorption of long vs short chains reveal that the activity of catalytic material is highest with the smallest NPs, consistent with a structure-sensitive reaction. Remarkably, the three mSiO 2 /Pt-X/SiO 2 catalysts give equivalent selectivity. We propose that mesoscale pores in the catalytic architecture template the C 23 -centered distribution, whereas the active Pt sites influence the carbon–carbon bond cleavage rate. This conclusion provides a framework for catalyst design by separating the C–C bond cleavage activity at catalytic sites from selectivity for chain lengths of the products influenced by the structure of the catalytic architecture. The increased activity, selectivity, efficiency, and lifetime obtained using this architecture highlight the benefits of localized and confined environments for isolated catalytic particles under condensed-phase reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of the CAM6 Climate Model Using Cloud Observations at McMurdo Station, Antarctica

A comparative analysis between observational data from McMurdo Station, Antarctica and the Community Atmosphere Model version 6 (CAM6) simulation is performed focusing on cloud characteristics and their thermodynamic conditions. Ka-band Zenith Radar (KAZR) and High Spectral Resolution Lidar (HSRL) retrievals are used as the basis of cloud fraction and cloud phase identifications. Radiosondes released at 12-hour increments provide atmospheric profiles for evaluating the simulated thermodynamic conditions. Our findings show that the CAM6 simulation consistently overestimates (underestimates) cloud fraction above (below) 3 km in four seasons of a year. Normalized by total in-cloud samples, ice and mixed phase occurrence frequencies are underestimated and liquid phase frequency is overestimated by the model at cloud fractions above 0.6, while at cloud fractions below 0.6 ice phase frequency is overestimated and liquid-containing phase frequency is underestimated by the model. The cloud fraction biases are closely associated with concurrent biases in relative humidity (RH), i.e., high (low) RH biases above (below) 2 km. Frequencies of correctly simulating ice and liquid-containing phase increase when the absolute biases of RH decrease. Cloud fraction biases also show a positive correlation with RH biases. Water vapor mixing ratio biases are the primary contributor to RH biases, and hence, likely a key factor controlling the cloud biases. Finally, this diagnosis of the evident shortfalls of representations of cloud characteristics in CAM6 simulation at McMurdo Station brings new insight in improving the governing model physics therein.

54 ENVIRONMENTAL SCIENCES↗

Impacts of Synoptic-Scale Dynamics on Clouds and Radiation in High Southern Latitudes

High-latitudinal mixed-phase clouds significantly affect Earth's radiative balance. Observations of cloud and radiative properties from two field campaigns in the Southern Ocean and Antarctica were compared with two global climate model simulations. A cyclone compositing method was used to quantify “dynamics-cloud-radiation” relationships relative to the extratropical cyclone centers. Observations show larger asymmetry in cloud and radiative properties between western and eastern sectors at McMurdo compared with Macquarie Island. Most observed quantities at McMurdo are higher in the western (i.e., post-frontal) than the eastern (frontal) sector, including cloud fraction, liquid water path (LWP), net surface shortwave and longwave radiation (SW and LW), except for ice water path (IWP) being higher in the eastern sector. Here, the two models were found to overestimate cloud fraction and LWP at Macquarie Island but underestimate them at McMurdo Station. IWP is consistently underestimated at both locations, both sectors, and in all seasons. Biases of cloud fraction, LWP, and IWP are negatively correlated with SW biases and positively correlated with LW biases. The persistent negative IWP biases may have become one of the leading causes of radiative biases over the high southern latitudes, after correcting the underestimation of supercooled liquid water in the older model versions. By examining multi-scale factors from cloud microphysics to synoptic dynamics, this work will help increase the fidelity of climate simulations in this remote region.

58 GEOSCIENCES↗

A gravitational-wave standard siren measurement of the Hubble constant

On 17 August 2017, the Advanced LIGO and Virgo detectors observed the gravitational-wave event GW170817—a strong signal from the merger of a binary neutron-star system. Less than two seconds after the merger, a γ-ray burst (GRB 170817A) was detected within a region of the sky consistent with the LIGO–Virgo-derived location of the gravitational-wave source. This sky region was subsequently observed by optical astronomy facilities, resulting in the identificationof an optical transient signal within about ten arcseconds of the galaxy NGC 4993. This detection of GW170817 in both gravitational waves and electromagnetic waves represents the first ‘multi-messenger’ astronomical observation. Such observations enable GW170817 to be used as a ‘standard siren’ (meaning that the absolute distance to the source can be determined directly from the gravitational-wave measurements) to measure the Hubble constant. This quantity represents the local expansion rate of the Universe, sets the overall scale of the Universe and is of fundamental importance to cosmology. Here we report a measurement of the Hubble constant that combines the distance to the source inferred purely from the gravitational-wave signal with the recession velocity inferred from measurements of the redshift using the electromagnetic data. In contrast to previous measurements, ours does not require the use of a cosmic ‘distance ladder’: the gravitational-wave analysis can be used to estimate the luminosity distance out to cosmological scales directly, without the use of intermediate astronomical distance measurements. We determine the Hubble constant to be about 70 kilometres per second per megaparsec. Furthermore, this value is consistent with existing measurements, while being completely independent of them. Additional standard siren measurements from future gravitational-wave sources will enable the Hubble constant to be constrained to high precision.

79 ASTRONOMY AND ASTROPHYSICS↗

Whole genome analysis of a schistosomiasis-transmitting freshwater snail

Biomphalaria snails are instrumental in transmission of the human blood fluke Schistosoma mansoni. With the World Health Organization’s goal to eliminate schistosomiasis as a global health problem by 2025, there is now renewed emphasis on snail control. Here, we characterize the genome of Biomphalaria glabrata, a lophotrochozoan protostome, and provide timely and important information on snail biology. We describe aspects of phero-perception, stress responses, immune function and regulation of gene expression that support the persistence of B. glabrata in the field and may define this species as a suitable snail host for S. mansoni. We identify several potential targets for developing novel control measures aimed at reducing snail-mediated transmission of schistosomiasis.

59 BASIC BIOLOGICAL SCIENCES↗

Unconventional polaronic ground state in superconducting LiTi 2 O 4

Geometrically frustrated lattices can display a range of correlated phenomena, ranging from spin frustration and charge order to dispersionless flat bands due to quantum interference. One particularly compelling family of such materials is the half-valence spinel LiB 2 O 4 materials. On the B-site frustrated pyrochlore sublattice, the interplay of correlated metallic behavior and charge frustration leads to a superconducting state in LiTi 2 O 4 and heavy fermion behavior in LiV 2 O 4 . To date, however, LiTi 2 O 4 has primarily been understood as a conventional BCS superconductor despite a lattice structure that could host more exotic ground states. Here, we present a multimodal investigation of LiTi 2 O 4 , combining ARPES, RIXS, proximate magnetic probes, and ab-initio many-body theoretical calculations. Our data reveals a novel mobile polaronic ground state with spectroscopic signatures that underlie co-dominant electron-phonon coupling and electron-electron correlations also found in the lightly doped cuprates. The cooperation between the two interaction scales distinguishes LiTi 2 O 4 from other superconducting titanates, suggesting an unconventional origin to superconductivity in LiTi 2 O 4 . Our work deepens our understanding of the rare interplay of electron-electron correlations and electron-phonon coupling in unconventional superconducting systems. In particular, our work identifies the geometrically frustrated, mixed-valence spinel family as an under-explored platform for discovering unconventional, correlated ground states.

36 MATERIALS SCIENCE↗

Superradiance of an ensemble of nuclei excited by a free electron laser

In 1954 Dicke predicted the accelerated initial decay of multiple atomic excitations1, laying the foundation for the concept of superradiance. Further studies suggested that emission of the total energy was similarly accelerated, provided that the system reaches the inversion threshold. Superradiant emission of the total energy has been confirmed by numerous studies, yet the acceleration of the initial decay has not been experimentally demonstrated. Here we use resonant diffraction of X-rays from the Mossbauer transition of 57 Fe nuclei to investigate superradiant decay, photon by photon, along the entire chain of the de-excitation cascade of up to 68 simultaneous coherent nuclear excitations created by a pulse of an X-ray free-electron laser. We find agreement with Dicke's theory for the accelerated initial decay as the number of excitations is increased. We also find that our results are in agreement with a simple statistical model, providing a necessary baseline for discussing further properties of superradiance, within and beyond the low-excitation regime.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

cAMP binding to closed pacemaker ion channels is non-cooperative

Electrical activity in the brain and heart depends on rhythmic generation of action potentials by pacemaker ion channels (HCN) whose activity is regulated by cAMP binding. Previous work has uncovered evidence for both positive and negative cooperativity in cAMP binding, but such bulk measurements suffer from limited parameter resolution. Efforts to eliminate this ambiguity using single-molecule techniques have been hampered by the inability to directly monitor binding of individual ligand molecules to membrane receptors at physiological concentrations. Here we overcome these challenges using nanophotonic zero-mode waveguides4 to directly resolve binding dynamics of individual ligands to multimeric HCN1 and HCN2 ion channels. We show that cAMP binds independently to all four subunits when the pore is closed, despite a subsequent conformational isomerization to a flip state at each site. The different dynamics in binding and isomerization are likely to underlie physiologically distinct responses of each isoform to cAMP and provide direct validation of the ligand-induced flip-state model. Furthermore, this approach for observing stepwise binding in multimeric proteins at physiologically relevant concentrations can directly probe binding allostery at single-molecule resolution in other intact membrane proteins and receptors.

59 BASIC BIOLOGICAL SCIENCES↗

Evidence for a single-layer van der Waals multiferroic

Here we searched for signatures of type-II multiferroic order in ultrathin van der Waals materials, to determine if such a state, comprising coexisting electrical polarization and spin order with strong magnetoelectric effects, could persist down to a single-atomic layer. We reported the first observation of such a state in triangular lattice material NiI 2 . This system has a layered structure and built-in magnetic frustration that promotes a complex magnetic ground state with proper-screw spin helices. The spin helix pattern breaks inversion symmetry and induces electrical polarization via magnetoelectric coupling. We use circular dichroic Raman measurements to directly probe the magneto-chiral ground state and its electromagnon modes originating from dynamic magnetoelectric coupling. Using birefringence and second-harmonic generation measurements, we detect a highly anisotropic electronic state simultaneously breaking three-fold rotational and inversion symmetry. The evolution of the optical signatures as a function of temperature and layer number surprisingly revealed a multiferroic state that persists down to the ultrathin limit of monolayer NiI 2 . These observations establish NiI 2 and transition metal dihalides as a new platform for studying emergent multiferroic phenomena, chiral magnetic textures and ferroelectricity in the 2D limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electrical switching of a p-wave magnet

Magnetic states with zero magnetization but non-relativistic spin splitting are outstanding candidates for the next generation of spintronic devices. Their electronvolt (eV)-scale spin splitting, ultrafast spin dynamics and nearly vanishing stray fields make them particularly promising for several applications. A variety of such magnetic states with non-trivial spin textures have been identified recently, including even-parity d-wave, g-wave or i-wave altermagnets and odd-parity p-wave magnets. Achieving voltage-based control of the non-uniform spin polarization of these magnetic states is of great interest for realizing energy-efficient and compact devices for information storage and processing. Spin-spiral type II multiferroics are optimal candidates for such voltage-based control, as they exhibit an inversion-symmetry-breaking magnetic order that directly induces ferroelectric polarization, allowing for symmetry-protected cross-control between spin chirality and polar order. Here we combine photocurrent measurements, first-principles calculations and group-theory analysis to provide direct evidence that the spin polarization of the spin-spiral type II multiferroic NiI 2 exhibits odd-parity character connected to the spiral chirality. The symmetry-protected coupling between chirality and polar order enables electrical control of a primarily non-relativistic spin polarization. Our findings represent an observation of p-wave magnetism in a spin-spiral type II multiferroic, which may lead to the development of voltage-based switching of non-relativistic spin polarization in compensated magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mitochondrial ATP generation is more proteome efficient than glycolysis

Metabolic efficiency profoundly influences organismal fitness. Nonphotosynthetic organisms, from yeast to mammals, derive usable energy primarily through glycolysis and respiration. Although respiration is more energy efficient, some cells favor glycolysis even when oxygen is available (aerobic glycolysis, Warburg effect). A leading explanation is that glycolysis is more efficient in terms of ATP production per unit mass of protein (that is, faster). Through quantitative flux analysis and proteomics, we find, however, that mitochondrial respiration is actually more proteome efficient than aerobic glycolysis. This is shown across yeast strains, T cells, cancer cells, and tissues and tumors in vivo. Instead of aerobic glycolysis being valuable for fast ATP production, it correlates with high glycolytic protein expression, which promotes hypoxic growth. Aerobic glycolytic yeasts do not excel at aerobic growth but outgrow respiratory cells during oxygen limitation. Here, we accordingly propose that aerobic glycolysis emerges from cells maintaining a proteome conducive to both aerobic and hypoxic growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A temperature-induced hysteretic behavior of resistivity and magnetoresistance of electrodeposited bismuth microbridges for X-ray transition-edge sensor absorbers

This study investigates the temperature-induced hysteretic behavior of resistivity and magnetoresistance in electrodeposited bismuth films, with a focus on their application as absorbers in transition-edge sensors (TESs) for X-ray detection. Through a series of resistivity versus temperature measurements from room temperature to a few Kelvin, we explore the change in the conductive behavior of bismuth electrodeposited on various substrates. Our findings show for the first time both hysteretic and irreversible changes in resistivity as a function of temperature. Further, magnetoresistance measurements reveal notable variations in resistance behavior under different magnetic fields, highlighting the impact of magnetic fields on these films’ electronic transport properties, with an indication of potential weak anti-localization effects at the lowest temperatures. This study not only provides a deeper understanding of bismuth’s conductivity characteristics at low temperatures but also sheds light on the practical implications for developing more effective TESs for synchrotron X-ray facilities.

42 ENGINEERING↗

Two-component dynamics in supercritical $\text {CO}_2$ from inelastic X-ray scattering

Supercritical fluids are characterized by unique thermodynamic properties. One of these properties is the existence of two-component dynamics that is associated with distinct low-frequency and high-frequency vibrational responses of the fluid. However, the origin of this behavior remains unknown. By combining inelastic X-ray scattering and molecular dynamics simulations, we show that this behavior can be connected to density heterogeneities arising from molecular clusters. Analyses of measurements and molecular trajectories suggest that the two-component dynamics emerges due to distinct momentum fluctuations of clustered and unbound molecules. This connection between clusters and two-component dynamics highlights the importance of molecular-structural heterogeneities in supercritical fluids, colloids, and condensed-matter systems.

biophysics↗

Catalytic upcycling of high-density polyethylene via a processive mechanism

The overconsumption of single-use plastics is creating a global waste catastrophe, with widespread environmental, economic and health-related consequences. In this work we show that the benefits of processive enzyme-catalysed conversions of biomacromolecules can be leveraged to affect the selective hydrogenolysis of high-density polyethylene into a narrow distribution of diesel and lubricant-range alkanes using an ordered, mesoporous shell/active site/core catalyst architecture that incorporates catalytic platinum sites at the base of the mesopores. Solid-state nuclear magnetic resonance revealed that long hydrocarbon macromolecules readily move within the pores of this catalyst, with a subsequent escape being inhibited by polymer–surface interactions, a behaviour that resembles the binding and translocation of macromolecules in the catalytic cleft of processive enzymes. Accordingly, the hydrogenolysis of polyethylene with this catalyst proceeds processively to yield a reliable, narrow and tunable stream of alkane products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrasmall amorphous zirconia nanoparticles catalyse polyolefin hydrogenolysis

Carbon–carbon bond cleavage reactions, adapted to deconstruct aliphatic hydrocarbon polymers and recover the intrinsic energy and carbon value in plastic waste, have typically been catalysed by metal nanoparticles or air-sensitive organometallics. Metal oxides that serve as supports for these catalysts are typically considered to be inert. Here we show that Earth-abundant, non-reducible zirconia catalyses the hydrogenolysis of polyolefins with activity rivalling that of precious metal nanoparticles. To harness this unusual reactivity, our catalytic architecture localizes ultrasmall amorphous zirconia nanoparticles between two fused platelets of mesoporous silica. Macromolecules translocate from bulk through radial mesopores to the highly active zirconia particles, where the chains undergo selective hydrogenolytic cleavage into a narrow, C18-centred distribution. Calculations indicated that C–H bond heterolysis across a Zr–O bond of a Zr(O) 2 adatom model for unsaturated surface sites gives a zirconium hydrocarbyl, which cleaves a C–C bond via β-alkyl elimination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗