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At least 973 records · Page 54

Impact of Ethanol additions on Autoignition Characteristics of a Full Boiling Range Gasoline and its Surrogates at Advanced Engine Conditions

Ethanol is widely blended into commercial gasolines, as an oxygenate to mitigate pollutant formation, as well as an octane enhancer to improve knock resistance. Ethanol can also facilitate the use of lower-grade, or less-refined gasoline in modern internal combustion (IC) engines. However, the chemical kinetic interactions of ethanol with petroleum-based gasoline are not well understood, especially towards autoignition propensity over a range of conditions. These interactions are critical for improving knock resistance, as well as towards performance in low temperature combustion schemes, such as gasoline compression ignition. This study investigates the chemical kinetic interactions of ethanol with a full boiling range gasoline, where blending ratios of 0 to 30 vol./vol. are covered. A mid-octane range (Anti Knock Index 91.5) Fuels for Advanced Combustion Engines gasoline is employed, while a variety of multi-component surrogate blends are also studied. Autoignition data are acquired within a rapid compression machine at temperature, pressure, and fuel loading conditions representative of advanced IC engines. Changes in low-temperature behavior, including first-stage ignition times and extents of low temperature heat release, as well as main ignition times are quantified for the neat fuels and the ethanol-blended fuels. A recently-updated, detailed chemical kinetic model for the gasoline surrogates is used to interpret the measurements, and better understand the kinetic pathways.

autoignition↗

First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn₂GaC

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn₂GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants, the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn₂GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M₂AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Composition of interstellar clouds in the disk and halo. 2: Gamma(sup 2) Velorum

High-resolution observations of gamma(sup 2) Vel with the Goddard High-Resolution Spectrograph (GHRS) echelle on the Hubble Space Telescope reveal the presence of seven narrow absorption components, with LSR velocities between -23 and +9 km s(exp -1). Three of these show column density ratios N(S(++))/N(S(+)) and N(P(++))/N(P+)) of about 1 or more, and can be identified as H II regions, while the other four are H I regions, consistent with the O I profile and with the overall H(sup 0) column density of 5.9 x 10(exp 19) cm(exp -2), given the usual assumptions that S is undepleted while O has a depletion D(O) = -0.3 dex. The depletions of Fe, Si, and Mn, which could be measure accurately for two of the four H I regions (components 6 and 7), differ somewhat from the values of D(sub ws) found for slowly moving warm clouds in HD 93521; in particular, for the component at 4.0 km s(exp -1) (No. 6), abosolute of D exceeds absolute of D(sub ws) by 0.1-0.4 dex, while for that at 9.3 km s(exp -1) (No. 7), absolute of D equals absolute of D(sub ws) on the average. The observed ratio of Fe + Mg atoms to Si atoms in the grains of component 6 is 2.04 +/-0.10, consistent with an olivine grain composition; the Fe/Mg ratio is 1.5 +/- 0.2. The electron density in component 6, determined from the C II(sup *) feature, is 0.075 +/- 0.013 cm (exp -3), about two-thirds of that found for clouds of this velocity in HD 93521. In the two conspicuous H II regions, components 3 and 4, n(sub e), determined from the Si II(sup *) feature, is about 1 cm(exp -3). From the column density of S(+) + S(++) in these two components, the total H II path length is about 40 pc. With the radius of a wind-blown bubble around gamma(sup 2) Vel set equal to 60 pc, the effective Stromgren radius is about 100 pc, requiring that T approx. equal to 50,000 K for the Wolf-Rayet component of the gamma(sup 2) Vel binary. Since zeta Pup is a comparable source of ionizing radiation, this temperature is an upper limit. The profiles of the strongest H2 absorption features, from Copernicus archives, indicate that the absorbing molecules have a mean velocity identical with that of the strongest H II component (No. 4). We have no explanation for the possible presence of these H2 molecules in a region of ionized H. Alternatively, the H2 profiles can be explained by molecules in the two adjacent (in velocity) H I regions, components 2 and 5, provided their H I gas has densities and temperatures typical of normal cold clouds. The GHRS data show absorption by highly ionized atoms Si(3+) and C(3+), N(4+) in broad features, in addition to the narrow-line absorption by Si(3+) and C(3+) observed in the dominant H II components, Nos. 3 and 4. The broad C(3+) and N(4+) features have widths corresponding to T in the range (4-8) x 10(exp 5) K, consistent with the broad O(5+) line shown in Copernicus data. Despite some observational uncertainties, the ratios of column densities in the broad C(3+), N(4+), and O(5+) features agree to +/- 0.1 dex with theoretical values for warm gas, heating and evaporating by thermal conduction from an adjacent hot region. Outward evaporation from an isolated cloud in a hot ambient gas cannot be distinguished, on the basis of these data, from inward evaporation of a warm shell, compressed by an expanding, hot stellar-wind bubble. For several halo stars, the C IV/O VI ratio has a quite different average value, perhaps consistent with cooling of infalling hot gas instead of conductive heating and evaporation.

Fitzpatrick, Edward L.↗

Activated penetrant dynamics in glass forming liquids: size effects, decoupling, slaving, collective elasticity and correlation with matrix compressibility

In this work, we employ the microscopic self-consistent cooperative hopping theory of penetrant activated dynamics in glass forming viscous liquids and colloidal suspensions to address new questions over a wide range of high matrix packing fractions and penetrant-to-matrix particle size ratios. The focus is on the mean activated relaxation time of smaller tracers in a hard sphere fluid of larger particle matrices. This quantity also determines the penetrant diffusion constant and connects directly with the structural relaxation time probed in an incoherent dynamic structure factor measurement. The timescale of the non-activated fast dissipative process is also studied and is predicted to follow power laws with the contact value of the penetrant–matrix pair correlation function and the penetrant–matrix size ratio. For long time penetrant relaxation, in the relatively lower packing fraction metastable regime the local cage barriers are dominant and matrix collective elasticity effects unimportant. As packing fraction and/or penetrant size grows, much higher barriers emerge and the collective elasticity associated with the correlated matrix dynamic displacement that facilitates penetrant hopping becomes important. This results in a non-monotonic variation with packing fraction of the degree of decoupling between the matrix and penetrant alpha relaxation times. The conditions required for penetrant hopping to become slaved to the matrix alpha process are determined, which depend mainly on the penetrant to matrix particle size ratio. By analyzing the absolute and relative importance of the cage and elastic barriers we establish a mechanistic understanding of the origin of the predicted exponential growth of the penetrant hopping time with size ratio predicted at very high packing fractions. A dynamics-thermodynamics power law connection between the penetrant activation barrier and the matrix dimensionless compressibility is established as a prediction of theory, with different scaling exponents depending on whether matrix collective elasticity effects are important. Quantitative comparisons with simulations of the penetrant relaxation time, diffusion constant, and transient localization length of tracers in dense colloidal suspensions and cold viscous liquids reveal good agreements. Multiple new predictions are made that are testable via future experiments and simulations. Extension of the theoretical approach to more complex systems of high experimental interest (nonspherical molecules, semiflexible polymers, crosslinked networks) interacting via variable hard or soft repulsions and/or short range attractions is possible, including under external deformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding how chemical structure affects ignition-delay-time $\phi$-sensitivity

$\phi$-sensitivity is the change in ignition delay time (IDT) with respect to the fuel-to-air equivalence ratio ($\phi$). High $\phi$-sensitivity is a desirable fuel property for applications in advanced compression ignition and multi-mode engine designs. Understanding how $\phi$-sensitivity depends on chemical structure is essential for selecting promising biofuels from the ever-growing list of proposed candidates. Here, we investigate the effect of chemical structure on $\phi$-sensitivity with experiment, simulation, and theory. Experimental Advanced Fuel Ignition Delay Analyzer (AFIDA) measurements for 2,4-dimethylpentane and diisopropyl ether provide evidence that branching and functional groups strongly impact $\phi$-sensitivity. Further insights into this dependence are obtained with 0-D kinetic simulations with existing mechanisms for n-pentane, diethyl ether, 3-pentanone, n-heptane, 2-methylhexane, 2,4-dimethylpentane, and 2,2,3-trimethylbutane. Quantum mechanical (QM) G4 calculations of low-temperature reactions help explain the observed experimental and simulation trends. Specifically, these QM calculations provide theoretical estimates of the ketohydroperoxide (KHP) dissociation rates, the HO 2 formation rates from peroxy radical (ROO), and the “cross-over” temperatures, i.e., the temperature at which ROO dissociation is favored compared to hydroperoxyl radical (QOOH) formation. Each of these reaction rates is compared to the n-alkane reference point to determine the impact of branching and different functional groups. Although kinetic mechanisms typically assume that KHP dissociation rates are invariant of chemical environment, our QM results suggest that this rate can span a range of roughly two orders of magnitude. We also discuss the importance of including the peroxy-hydroperoxy (OO-OOH) hydrogen transfer reaction for branched ethers. Finally, the insights gained assist in proposing a highly $\phi$-sensitive compound, namely, isopropyl propyl ether.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating the effect of online data compression on the disk cache of a mass storage system

A trace driven simulation of the disk cache of a mass storage system was used to evaluate the effect of an online compression algorithm on various performance measures. Traces from the system at NASA's Center for Computational Sciences were used to run the simulation and disk cache hit ratios, number of files and bytes migrating to tertiary storage were measured. The measurements were performed for both an LRU and a size based migration algorithm. In addition to seeing the effect of online data compression on the disk cache performance measure, the simulation provided insight into the characteristics of the interactive references, suggesting that hint based prefetching algorithms are the only alternative for any future improvements to the disk cache hit ratio.

Pentakalos, Odysseas I.↗

Quantifying Void Ratio Variation in Sand using Computed Tomography

A series of displacement-controlled, conventional, drained axisymmetric (triaxial) experiments were conducted on dry Ottawa sand specimens at very low effective confining stresses in a microgravity environment aboard the Space Shuttle during the NASA STS-89 mission. Post-flight analysis included studying the internal fabric and failure patterns of these specimens using Computed Tomography (CT). The CT scans of three specimens subjected to different compression levels (uncompressed specimen, a specimen compressed to 3.3% nominal axial strain (epsilon(sub a)), and a specimen compressed to 25% epsilon(sub a)) are presented to investigate the evolution of instability patterns and to quantify void ratio variation. The progress of failure is described and discussed. Also, specimens' densities were calibrated using standard ASTM procedures and void ratio spatial variation was calculated and represented by contour maps and histograms. The CT technique demonstrated good ability to detect specimen inhomogeneities, localization patterns, and quantifying void ratio variation within sand specimens.

Alshibli, Khalid A.↗

Investigation on Cracking Behavior and Development of a Fracture Model of Ti-47Al-2Nb-2Cr Alloy During Hot Deformation

When alloys are strained to a certain limit under the plastic deformation, ductile fracture occurs. Whether the required deformation can be put into effect before fracture appears has become a serious concern. A combination of compression tests, ductile fracture criteria as well as finite element simulation (FEM) were employed in this study to establish the fracture initiation prediction model of Ti-47Al-2Nb-2Cr alloy. To obtain the critical fracture strain, a technique was proposed to calculate the data for deformed cylindrical samples through isothermal compression tests in the temperature range between 1223 and 1423 K with strain rates ranging from 0.001 to 1 s{sup −1}. Five commonly used ductile fracture criteria were compared by FE simulation of compressing tests. It was found that the Brozzo criterion was found to be suitable and accordingly a failure criterion, considering temperature and strain ratio was established. Hot working parameters (critical fracture value and critical strain) in deformation could be obtained through the finite element simulation, revealing that this newly established failure criterion could accurately predict cracking initiation in compressing deformation of Ti-47Al-2Nb-2Cr alloy ingot.

36 MATERIALS SCIENCE↗

A switchable and stable single-longitudinal-mode, dual-wavelength erbium-doped fiber laser assisted by Rayleigh backscattering in tapered fiber

We have proposed and demonstrated a novel switchable single-longitudinal-mode (SLM), dual-wavelength erbium-doped fiber laser (DWEDFL) assisted by Rayleigh backscattering (RBS) in a tapered fiber in a ring laser configuration. The RBS feedback in a tapered fiber is a key mechanism as linewidth narrowing for laser output. A compound laser cavity ensured that the EDFL operated in the SLM state and a saturable absorber (SA) is employed to form a gain grating for both filtering and improving wavelength stability. The fiber laser can output dual wavelengths simultaneously or operate at single wavelength in a switchable manner. Experiment results show that with the proper SA, the peak power drift was improved from 1–2 dB to 0.31 dB and the optical signal to noise ratio was higher than 60 dB. Under the assistance of RBS feedback, the laser linewidths are compressed by around three times and the Lorentzian 3 dB linewidths of 445 Hz and 425 Hz are obtained at 1550 nm and 1554 nm, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microstructure, magnetic and electric properties of BaTiO{sub 3}–Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} nanocomposite

Highlights: ► BaTiO{sub 3}/Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} nanocomposites were synthesized by the sol–gel method. ► A large induced strain is induced in the composite. ► The ferroelectric phase transition dependence on the amount of ferrite. - Abstract: xBaTiO{sub 3} + (1 − x)Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} (x = 0.35, 0.5, 0.65) nanocomposites were synthesized by the sol–gel method. The two corresponding intended nanocomposites phases were confirmed by X-ray diffraction, no other foreign phases were present. The microstrain of the nanocomposite was found to depend on the ratio amount of BaTiO{sub 3} (BTO) in the nanocomposites. The tetragonality ratio c/a of BTO approximates its values to be (a = c) at concentration of 65% BTO. Magnetic properties showed superparamgnetic behavior at room temperature. The temperature dependent of dielectric constant measurements showed that the Curie temperature (T{sub c}) of the ferroelectric phase transition varies with different composites ratio. The dielectric properties of the composite increased with increase of ferrite content. The compressed stress generated by the lattice mismatch of the in planes at the interface of the ferroelectric and magnetic phases cause large strain. The mediation of this strain causes strong electromagnetic coupling creating new materials with good quality.

36 MATERIALS SCIENCE↗

Freezing lines of colloidal Yukawa spheres. II. Local structure and characteristic lengths

Using the Rogers-Young (RY) integral equation scheme for the static pair correlation functions combined with the liquid-phase Hansen-Verlet freezing rule, we study the generic behavior of the radial distribution function and static structure factor of monodisperse charge-stabilized suspensions with Yukawa-type repulsive particle interactions at freezing. In a related article, labeled Paper I [J. Gapinski, G. Nägele, and A. Patkowski, J. Chem. Phys. 136, 024507 (2012)], this hybrid method was used to determine two-parameter freezing lines for experimentally controllable parameters, characteristic of suspensions of charged silica spheres in dimethylformamide. A universal scaling of the RY radial distribution function maximum is shown to apply to the liquid-bcc and liquid-fcc segments of the universal freezing line. A thorough analysis is made of the behavior of characteristic distances and wavenumbers, next-neighbor particle coordination numbers, osmotic compressibility factor, and the Ravaché-Mountain-Streett minimum-maximum radial distribution function ratio.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

G0.253+0.016: A centrally condensed, high-mass protocluster

Despite their importance as stellar nurseries and the building blocks of galaxies, very little is known about the formation of the highest mass clusters. The dense clump G0.253+0.016 represents an example of a clump that may form an Arches-like, high-mass cluster. Here we present molecular line maps toward G0.253+0.016 taken as part of the MALT90 molecular line survey, complemented with APEX observations. Combined, these data reveal the global physical properties and kinematics of G0.253+0.016. Recent Herschel data show that while the dust temperature is low (∼19 K) toward its center, the dust temperature on the exterior is higher (∼27 K) due to external heating. Our new molecular line data reveal that, overall, the morphology of dense gas detected toward G0.253+0.016 matches its IR extinction and dust continuum emission very well. An anticorrelation between the dust and gas column densities toward its center indicates that the clump is centrally condensed with a cold, dense interior in which the molecular gas is chemically depleted. The velocity field shows a strong gradient along the clump's major axis, with the blueshifted side at a higher Galactic longitude. The optically thick gas tracers are systematically redshifted with respect to the optically thin and hot gas tracers, indicating radial motions. The gas kinematics and line ratios support the recently proposed scenario in which G0.253+0.016 results from a tidal compression during a recent pericenter passage near Sgr A*. Because G0.253+0.016 represents an excellent example of a clump that may form a high-mass cluster, its detailed study should reveal a wealth of knowledge about the early stages of cluster formation.

79 ASTRONOMY AND ASTROPHYSICS↗

Implementing and diagnosing magnetic flux compression on the Z pulsed power accelerator

We report on the progress made to date for a Laboratory Directed Research and Development (LDRD) project aimed at diagnosing magnetic flux compression on the Z pulsed-power accelerator (0-20 MA in 100 ns). Each experiment consisted of an initially solid Be or Al liner (cylindrical tube), which was imploded using the Z accelerator's drive current (0-20 MA in 100 ns). The imploding liner compresses a 10-T axial seed field, B z ( 0 ) , supplied by an independently driven Helmholtz coil pair. Assuming perfect flux conservation, the axial field amplification should be well described by B z ( t ) = B z ( 0 ) x [ R ( 0 ) / R ( t )] 2 , where R is the liner's inner surface radius. With perfect flux conservation, B z ( t ) and dB z / dt values exceeding 10 4 T and 10 12 T/s, respectively, are expected. These large values, the diminishing liner volume, and the harsh environment on Z, make it particularly challenging to measure these fields. We report on our latest efforts to do so using three primary techniques: (1) micro B-dot probes to measure the fringe fields associated with flux compression, (2) streaked visible Zeeman absorption spectroscopy, and (3) fiber-based Faraday rotation. We also mention two new techniques that make use of the neutron diagnostics suite on Z. These techniques were not developed under this LDRD, but they could influence how we prioritize our efforts to diagnose magnetic flux compression on Z in the future. The first technique is based on the yield ratio of secondary DT to primary DD reactions. The second technique makes use of the secondary DT neutron time-of-flight energy spectra. Both of these techniques have been used successfully to infer the degree of magnetization at stagnation in fully integrated Magnetized Liner Inertial Fusion (MagLIF) experiments on Z [P. F. Schmit et al. , Phys. Rev. Lett. 113 , 155004 (2014); P. F. Knapp et al. , Phys. Plasmas, 22 , 056312 (2015)]. Finally, we present some recent developments for designing and fabricating novel micro B-dot probes to measure B z ( t ) inside of an imploding liner. In one approach, the micro B-dot loops were fabricated on a printed circuit board (PCB). The PCB was then soldered to off-the-shelf 0.020- inch-diameter semi-rigid coaxial cables, which were terminated with standard SMA connectors. These probes were recently tested using the COBRA pulsed power generator (0-1 MA in 100 ns) at Cornell University. In another approach, we are planning to use new multi-material 3D printing capabilities to fabricate novel micro B-dot packages. In the near future, we plan to 3D print these probes and then test them on the COBRA generator. With successful operation demonstrated at 1-MA, we will then make plans to use these probes on a 20-MA Z experiment.

47 OTHER INSTRUMENTATION↗

Annual report for DOE VTO

Carbon fiber (CF)/polymer composites are a transformative class of high-performance, lightweight material, where high aspect-ratio CFs reinforce a polymer matrix and exceed the strength of steel alloys at a fraction of the density. Despite the advantages of such a class of material, the broader implementation of CF composites in a range of automotive, aerospace, and energy applications is hindered by limitations of current manufacturing methods. These current techniques (e.g., hand lay-up, wet filament winding) are costly and impose severe limitations on fiber placement, orientation, and angle, and thus a composite’s ultimate properties. Today’s CF composites are expensive to manufacture, limited in form factor, and utilize costly and sub-optimal continuous filament CF. Advanced additive manufacturing (AM) processes, combined with computational design optimization and new approaches to resin development, offer alternative design and manufacturing paradigms that have the realistic potential to lift these constraints. Such integrated AM approaches could thus help to realize the full potential of CF composite materials. One relevant application of CF composite materials where manufacturing constraints limit the cost-benefit ratio is in the manufacture of high-performance composite pressure vessels for onboard compressed natural gas (CNG) storage. Current CNG storage vessels (Types 3–5) are made from load-bearing filament-wound carbon-fiber composite and are ~3.5 times as expensive as an all-metallic Type-1 vessel. This cost is invariably tied to the complex and labor-intensive nature of conventional filament winding processes and the large volumes of expensive high tensile-strength CF tow feedstock required in manufacture. Our proposed approach to CNG storage vessel manufacture is based on a combination of AM technologies for CF composite printing and design optimization tools that were pioneered at Lawrence Livermore National Laboratory (LLNL), with advances in resin/composite formulation enabled by chemical and nano-material modification. Through the successful development of this technology, LLNL seeks to demonstrate the capability for advanced CNG storage vessel manufacture at reduced cost with no reduction in performance versus the most advanced, extant Type-5 designs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Effects of nozzle interfairing modifications on longitudinal aerodynamic characteristics of a twin jet, variable wing sweep fighter model

A wind-tunnel investigation has been made to determine the effects of nozzle interfairing modifications on the longitudinal aerodynamic characteristics of a twin-jet, variable-wing-sweep fighter model. The model was tested in the Langley 16-foot transonic tunnel at Mach numbers of 0.6 to 1.3 and angles of attack from about minus 2 deg to 6 deg and in the Langley 4-foot supersonic presure tunnel at a Mach number of 2.2 and an angle of attack of 0 deg. Compressed air was used to simulate nozzle exhaust flow at jet total-pressure ratios from 1 (jet off) to about 21. The results of this investigation show that the aircraft drag can be significantly reduced by replacing the basic interfairing with a modified interfairing.

Reubush, D. E.↗

Design and performance at a local Mach number of 6 of an inlet for an integrated Scramjet concept

The development of a concept for a modular supersonic combustion ramjet which is designed to integrate with the airframe of a hypersonic vehicle is presented. The design philosophy and results of experiments at Mach 6 to evaluate the performance of the scramjet inlet are given. The inlet was designed with modest contraction ratio, fixed geometry, and three fuel injection struts which contributed to the inlet flow compression and provided a short combustor design that resulted in low internal cooling requirements. Results indicate that the inlet performance is well within the acceptable range for high engine performance.

Trexler, C. A.↗