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933 records · Page 52

RE-1000 free-piston Stirling engine hydraulic output system description

The NASA Lewis Research Center was involved in free-piston Stirling engine research since 1976. Most of the work performed in-house was related to characterization of the RE-1000 engine. The data collected from the RE-1000 tests were intended to provide a data base for the validation of Stirling cycle simulations. The RE-1000 was originally build with a dashpot load system which did not convert the output of the engine into useful power, but was merely used as a load for the engine to work against during testing. As part of the interagency program between NASA Lewis and the Oak Ridge National Laboratory, (ORNL), the RE-1000 was converted into a configuration that produces useable hydraulic power. A goal of the hydraulic output conversion effort was to retain the same thermodynamic cycle that existed with the dashpot loaded engine. It was required that the design must provide a hermetic seal between the hydraulic fluid and the working gas of the engine. The design was completed and the hardware was fabricated. The RE-1000 was modified in 1985 to the hydraulic output configuration. The early part of the RE-1000 hydraulic output program consisted of modifying hardware and software to allow the engine to run at steady-state conditions. A complete description of the engine is presented in sufficient detail so that the device can be simulated on a computer. Tables are presented showing the masses of the oscillating components and key dimensions needed for modeling purposes. Graphs are used to indicate the spring rate of the diaphragms used to separate the helium of the working and bounce space from the hydraulic fluid.

Schreiber, Jeffrey G.↗

Mechanism of Mesoscale Woodpile Development via Photoelectrochemical Deposition of Se–Te

A combination of experiments and optical modeling provided insight into the mechanism of mesoscale woodpile formation in response to an orthogonal shift in polarization during photoelectrochemical deposition of Se–Te. Cathodic deposition of semiconducting Se–Te using spatially uniform, linearly polarized illumination produced arrays of lamellae that were aligned parallel to the optical E-field oscillation. Continued deposition in conjunction with an orthogonal shift in the polarization direction then produced aligned bridging features that spanned the void space between, and were orthogonal to, the preexisting lamellae. The height and pitch, respectively, in each layer of the woodpile were a function of the charge density and illumination wavelength during deposition. A Monte Carlo model, in which material addition was scaled by the absorption magnitude obtained from electromagnetic simulations, produced morphologies that were nominally identical to those observed experimentally. Here, the formation of mesoscale woodpiles is consistent with a mechanism that involves a series of spontaneously initiated, concerted light–matter interactions during the photoelectrochemical deposition process.

absorption↗

Excitable dynamics in high-Lewis number premixed gas combustion at normal and microgravity

Freely-propagating, premixed gas flames in high-Lewis (Le) number, quiescent mixtures are studied experimentally in tubes of various diameter at normal (lg) and microgravity (mu g). A premixture of lean butane and oxygen diluted with helium, argon, neon, nitrogen or a mixture of multiple diluents is examined such that the thermal diffusivity of the mixture (and to a lesser extent, the mass diffusivity of the rate-limiting component) is systematically varied. In effect, different diluents allow variation of the Le without changing the chemistry. The flames are recorded with high speed cinematography and their stability is visually assessed. Different modes of propagation were observed depending on the diameter of the tubes (different conductive heat loss), the composition of the mixture and the g-level. At 1g, four modes of propagation were observed in small and intermediate diameter tubes (large conductive heat loss): (1) steadily propagating flames, (2) radial and longitudinal pulsating flames, (3) 'wavering' flames, and (4) rotating spiral flames. As the diameter of the tube increases, the radial modes become more pronounced while the longitudinal modes systematically disappear. Also, multiple, simultaneous, spatially-separated 'pacemaker' sites are observed in intermediate and large diameter tubes. Each site starts as a small region of high luminosity and develops into a flamelet which assumes the form of one of the fore mentioned modes. These flamelets eventually interact, annihilate each other in their regions of intersection and merge at their newly created free-ends. For very large tubes, radially-propagating wave-trains (believed to be 'trigger waves') are observed. These are analogous to the radial pulsations observed in the smaller diameter tubes. At mu g, three modes of propagation have been observed: (1) steadily propagating flames, (2) radial and longitudinal pulsating flames, and (3) multi-armed, rotating flames. Since the pulsating mode exists at mu g and 1g, buoyant flicker is not the mechanism which drives the pulsations. Moreover, all of the instabilities at 1g and mu g have characteristic frequencies on the O(100Hz). This value is lower than the fundamental, longitudinal acoustic frequencies of the tubes which suggests that the instabilities are not acoustically driven. The patterns formed by this reaction bear remarkable similarities with the patterns formed in most excitable media when the behavior of the system is driven by couplings between chemical reaction and diffusion (e.g., Belousov-Zhabotinsky reaction, Patterns in slime molds, spiral waves in the retina of a bird's eye). While it is recognized that the chemical mechanism associated with this premixed gas reaction is exponentially sensitive to temperature and undoubtedly different from those which govern previously observed excitable media (most are isothermal, or weakly exothermic, liquid phase reactions), similar spatial and temporal patterns should not come as a complete surprise considering heat and mass diffusion are self similar. It is concluded that this premixed gas system is a definitive example of a diffusive-thermal, gas-phase oscillator based on these experimental results and their favorable comparison with theory.

Pearlman, Howard↗

Probing Physics beyond the Standard Model through Combined Analyses of Next-generation Type Ia Supernova, Cosmic Microwave Background, and Baryon Acoustic Oscillation Surveys

Observations of Type Ia supernovae (SNe Ia), which probe the late Universe, together with baryon acoustic oscillations (BAO) and the cosmic microwave background (CMB), which probe the intermediate and early epochs, provide complementary constraints on the expansion history of the Universe. In this work, we forecast constraints on dark energy and other extensions to the standard cosmological model by combining the SN Ia sample expected from the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST), data from current and forthcoming CMB surveys, and BAO measurements from the Dark Energy Spectroscopic Instrument (DESI). For the CMB, we use temperature, polarization, and lensing power spectra (TT/EE/TE/ϕϕ) from the South Pole Telescope, the planned Advanced Simons Observatory, and a CMB-S4–like experiment. We derive constraints on ΛCDM and its extensions involving the dark energy equation-of-state parameters (w 0 , w a ) and the sum of neutrino masses ∑m ν using a Markov Chain Monte Carlo (MCMC) sampling framework. We find that the LSST Year 3 SN Ia sample can improve upon the DES Year 5 dark energy constraints by a factor of 2−2.5×, with the gains driven primarily by the significantly higher SN Ia density in the LSST sample. Similarly, DESI-DR3 shows up to a 1.8× improvement on dark energy parameters over DR2, driven largely by the substantial increase in the low-redshift sample. Combining CMB with LSST-Y3-SN Ia and DESI-DR3-BAO yields σ(w 0 ) = 0.028 and σ(w a ) = 0.11 for w 0 w a CDM cosmology with the results being largely independent of the CMB dataset. The constraints weaken by 10%–30% when freeing ∑m ν and spatial curvature. Moreover, the joint analysis of the three datasets can enable a 2σ–3σ detection of ∑m ν .

Raghunathan, Srinivasan [University of California;↗

Active Thermochemical Tables: the thermophysical and thermochemical properties of methyl, CH 3 , and methylene, CH 2 , corrected for nonrigid rotor and anharmonic oscillator effects

The thermophysical properties (isobaric heat capacity, entropy, enthalpy increment) of two prominent radicals, methyl, CH 3 , and methylene, CH 2 , were computed using the Nonrigid Rotor Anharmonic Oscillator (NRRAO) approach and compared to their RRHO counterparts, demonstrating significant differences between the results from the two approaches. Methylene presents a typical case in which the NRRAO thermophysical properties have significantly higher values than their RRHO counterparts at higher temperatures. In the case of methyl, the positive anharmonicity of the umbrella motion causes an opposite effect, and the NRRAO corrected thermophysical properties have lower values than their RRHO counterparts. The NRRAO corrected thermophysical properties, in turn, affect the resulting thermochemical properties. Here, two reactions important in combustion modelling were tested: the recombination of methyl radical with hydrogen atoms to form methane, and the recombination of two methyl radicals to form ethane. The related NRRAO equilibrium constants differ significantly from their RRHO analogs, and the consequences for chemical modelling are discussed. Also reported are the most current ATcT enthalpies of formation for CH n (n = 4-0) species and for C 2 H 6 , together with the tightly related sequential bond dissociation enthalpies along with the CHn series.

74 ATOMIC AND MOLECULAR PHYSICS↗

Time evolution of ML-MCTDH wavefunctions. II. Application of the projector splitting integrator

The multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach can suffer from numerical instabilities whenever the wavefunction is weakly entangled. These instabilities arise from singularities in the equations of motion (EOMs) and necessitate the use of regularization of the EOMs. The Projector Splitting Integrator (PSI) has previously been presented as an approach for evolving ML-MCTDH wavefunctions that is free of singularities. Here, we will discuss the implementation of the multi-layer PSI with a particular focus on how the steps required relate to those required to implement standard ML-MCTDH. We demonstrate the efficiency and stability of the PSI for large ML-MCTDH wavefunctions containing up to hundreds of thousands of nodes by considering a series of spin-boson models with up to 106 bath modes and find that for these problems, the PSI requires roughly 3–4 orders of magnitude fewer Hamiltonian evaluations and 2–3 orders of magnitude fewer Hamiltonian applications than standard ML-MCTDH and 2–3/1–2 orders of magnitude fewer evaluations/applications than approaches that use improved regularization schemes. Finally, we consider a series of significantly more challenging multi-spin-boson models that require much larger numbers of single-particle functions with wavefunctions containing up to ~1.3×10 9 parameters to obtain accurate dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene (C 2 H 2 ), enabling soot-free combustion without the soot-NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde (CH 2 O) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O. However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH*, especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

CFD↗

Supersonic Aerodynamic Characteristics of a Low-Drag Aircraft Configuration having an Arrow Wing of Aspect Ratio 1.86 and a Body of Fineness Ratio 20

A free-flight rocket-propelled-model investigation was conducted at Mach numbers of 1.2 to 1.9 to determine the longitudinal and lateral aero-dynamic characteristics of a low-drag aircraft configuration. The model consisted of an aspect-ratio -1.86 arrow wing with 67.5 deg. leading-edge sweep and NACA 65A004 airfoil section and a triangular vertical tail with 60 deg. sweep and NACA 65A003 section in combination with a body of fineness ratio 20. Aerodynamic data in pitch, yaw, and roll were obtained from transient motions induced by small pulse rockets firing at intervals in the pitch and yaw directions. From the results of this brief aerodynamic investigation, it is observed that very slender body shapes can provide increased volumetric capacity with little or no increase in zero-lift drag and that body fineness ratios of the order of 20 should be considered in the design of long-range supersonic aircraft. The zero-lift drag and the drag-due-to-lift parameter of the test configuration varied linearly with Mach number. The maximum lift-drag ratio was 7.0 at a Mach number of 1.25 and decreased slightly to a value of 6.6 at a Mach number of 1.81. The optimum lift coefficient, normal-force-curve slope, lateral-force-curve slope, static stability in pitch and yaw, time to damp to one-half amplitude in pitch and yaw, the sum of the rotary damping derivatives in pitch and also in yaw, and the static rolling derivatives all decreased with an increase in Mach number. Values of certain rolling derivatives were obtained by application of the least-squares method to the differential equation of rolling motion. A comparison of the experimental and calculated total rolling-moment-coefficient variation during transient oscillations of the model indicated good agreement when the damping-in-roll contribution was included with the static rolling-moment terms.

Gillespie, Warren, Jr.↗

The Effects of Shockwave Pressures on Ultrafast Vibrational Energy Transfer in BNFF, a Hydrogen-Free Energetic Material

Energy conversion in energetic materials from shock-wave-induced lattice compression to bond breaking critically depends on vibrational coupling and energy transfer between intra- and intermolecular vibrations, though the details of the mechanisms remain unknown. Herein, we indirectly tune the strength of intermolecular interactions in 3,4-bis(3-nitrofurazan-4-yl)furoxan (BNFF), a hydrogen-free energetic material characterized by van der Waals interactions, by applying high static pressure using a diamond anvil cell and monitoring vibrational energy transfer (VET) with ultrafast broadband infrared pump–probe spectroscopy. As BNFF is compressed from ambient pressure to 9 GPa, we find that VET accelerates by ∼ 0.9 ps/GPa. Density functional theory is applied in tandem with experiments to assign mode character and elucidate VET pathways. In conclusion, we find that furazan ring O–N–O vibrations, which are high-frequency detonation-relevant vibrational modes, experience increased sensitivity to lattice compression under shockwave pressures. These findings provide new mechanistic insight into how intermolecular interactions govern the rate and selectivity of VET.

Energy transfer↗

A generalized class of strongly stable and dimension-free T-RPMD integrators

Here, recent work shows that strong stability and dimensionality freedom are essential for robust numerical integration of thermostatted ringpolymer molecular dynamics (T-RPMD) and path-integral molecular dynamics, without which standard integrators exhibit non-ergodicity and other pathologies [R. Korol et al., J. Chem. Phys. 151, 124103 (2019) and R. Korol et al., J. Chem. Phys. 152, 104102 (2020)]. In particular, the BCOCB scheme, obtained via Cayley modification of the standard BAOAB scheme, features a simple reparametrization of the free ring-polymer sub-step that confers strong stability and dimensionality freedom and has been shown to yield excellent numerical accuracy in condensed-phase systems with large time steps. Here, we introduce a broader class of T-RPMD numerical integrators that exhibit strong stability and dimensionality freedom, irrespective of the Ornstein–Uhlenbeck friction schedule. In addition to considering equilibrium accuracy and time step stability as in previous work, we evaluate the integrators on the basis of their rates of convergence to equilibrium and their efficiency at evaluating equilibrium expectation values. Within the generalized class, we find BCOCB to be superior with respect to accuracy and efficiency for various configuration-dependent observables, although other integrators within the generalized class perform better for velocity-dependent quantities. Extensive numerical evidence indicates that the stated performance guarantees hold for the strongly anharmonic case of liquid water. Both analytical and numerical results indicate that BCOCB excels over other known integrators in terms of accuracy, efficiency, and stability with respect to time step for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The HIBEAM instrument at the European spallation source

The European spallation source (ESS) will be the world’s brightest neutron source and will open a new intensity frontier in particle physics. The HIBEAM collaboration aims to exploit the unique potential of the ESS with a dedicated ESS instrument for particle physics which offers world-leading capability in a number of areas. The HIBEAM program includes the first search in thirty years for free neutrons converting to antineutrons and searches for sterile neutrons, ultralight axion dark matter and nonzero neutron electric charge. This paper outlines the capabilities, design, infrastructure, and scientific potential of the HIBEAM program, including its dedicated beamline, neutron optical system, magnetic shielding and control, and detectors for neutrons and antineutrons. Additionally, we discuss the long-term scientific exploitation of HIBEAM, which may include measurements of the neutron electric dipole moment and precision studies of neutron decays.

47 OTHER INSTRUMENTATION↗

Prediction and Predictability of the Madden Julian Oscillation in the NASA GEOS-5 Seasonal-to-Subseasonal System

In this study, we examine the prediction skill and predictability of the Madden Julian Oscillation (MJO) in a recent version of the NASA GEOS-5 atmosphere-ocean coupled model run at at 1/2 degree horizontal resolution. The results are based on a suite of hindcasts produced as part of the NOAA SubX project, consisting of seven ensemble members initialized every 5 days for the period 1999-2015. The atmospheric initial conditions were taken from the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), and the ocean and the sea ice were taken from a GMAO ocean analysis. The land states were initialized from the MERRA-2 land output, which is based on observation-corrected precipitation fields. We investigated the MJO prediction skill in terms of the bivariate correlation coefficient for the real-time multivariate MJO (RMM) indices. The correlation coefficient stays at or above 0.5 out to forecast lead times of 26-36 days, with a pronounced increase in skill for forecasts initialized from phase 3, when the MJO convective anomaly is located in the central tropical Indian Ocean. A corresponding estimate of the upper limit of the predictability is calculated by considering a single ensemble member as the truth and verifying the ensemble mean of the remaining members against that. The predictability estimates fall between 35-37 days (taken as forecast lead when the correlation reaches 0.5) and are rather insensitive to the initial MJO phase. The model shows slightly higher skill when the initial conditions contain strong MJO events compared to weak events, although the difference in skill is evident only from lead 1 to 20. Similar to other models, the RMM-index-based skill arises mostly from the circulation components of the index. The skill of the convective component of the index drops to 0.5 by day 20 as opposed to day 30 for circulation fields. The propagation of the MJO anomalies over the Maritime Continent does not appear problematic in the GEOS-5 hindcasts implying that the Maritime Continent predictability barrier may not be a major concern in this model. Finally, the MJO prediction skill in this version of GEOS-5 is superior to that of the current seasonal prediction system at the GMAO; this could be partly attributed to a slightly better representation of the MJO in the free running version of this model and partly to the improved atmospheric initialization from MERRA-2.

Achuthavarier, Deepthi↗

Microwave Oscillators Based on Nonlinear WGM Resonators

Optical oscillators that exploit resonantly enhanced four-wave mixing in nonlinear whispering-gallery-mode (WGM) resonators are under investigation for potential utility as low-power, ultra-miniature sources of stable, spectrally pure microwave signals. There are numerous potential uses for such oscillators in radar systems, communication systems, and scientific instrumentation. The resonator in an oscillator of this type is made of a crystalline material that exhibits cubic Kerr nonlinearity, which supports the four-photon parametric process also known as four-wave mixing. The oscillator can be characterized as all-optical in the sense that the entire process of generation of the microwave signal takes place within the WGM resonator. The resonantly enhanced four-wave mixing yields coherent, phase-modulated optical signals at frequencies governed by the resonator structure. The frequency of the phase-modulation signal, which is in the microwave range, equals the difference between the frequencies of the optical signals; hence, this frequency is also governed by the resonator structure. Hence, further, the microwave signal is stable and can be used as a reference signal. The figure schematically depicts the apparatus used in a proof-of-principle experiment. Linearly polarized pump light was generated by an yttrium aluminum garnet laser at a wavelength of 1.32 microns. By use of a 90:10 fiber-optic splitter and optical fibers, some of the laser light was sent into a delay line and some was transmitted to one face of glass coupling prism, that, in turn, coupled the laser light into a crystalline CaF2 WGM disk resonator that had a resonance quality factor (Q) of 6x10(exp 9). The output light of the resonator was collected via another face of the coupling prism and a single-mode optical fiber, which transmitted the light to a 50:50 fiber-optic splitter. One output of this splitter was sent to a slow photodiode to obtain a DC signal for locking the laser to a particular resonator mode. The other output of this splitter was combined with the delayed laser signal in another 50:50 fiber-optic splitter used as a combiner. The output.of the combiner was fed to a fast photodiode that demodulated light and generated microwave signal. In this optical configuration, the resonator was incorporated into one arm of a Mach-Zehnder interferometer, which was necessary for the following reasons: It was found that when the output of the resonator was sent directly to a fast photodiode, the output of the photodiode did not include a measurable microwave signal. However, when the resonator was placed in an arm of the interferometer and the delay in the other arm was set at the correct value, the microwave signal appeared. Such behavior is distinctly characteristic of phase-modulated light. The phase-modulation signal had a frequency of about 8 GHz, corresponding to the free spectral range of the resonator. The spectral width of this microwave signal was less than 200 Hz. The threshold pump power for generating the microwave signal was about 1 mW. It would be possible to reduce the threshold power by several orders of magnitude if resonators could be made from crystalline materials in dimensions comparable to those of micro-resonators heretofore made from fused silica.

Maleki, Lute↗

Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites

2D layered double perovskites of (S-MPA) 4 AgBiI 8 (MPA-AgBiI 8 ) and (S-MPA) 4 CuBiI 8 (MPA-CuBiI 8 ) (S-MPA, S-β-methylphenethylammonium) were synthesized with a hydrothermal method. The crystal structure of MPA-AgBiI 8 was determined using single-crystal X-ray diffraction (scXRD). Powder XRD (pXRD) data suggest that the crystal structure of MPA-CuBiI 8 is more complex than that of MPA-AgBiI 8 . UV-Vis electronic absorption spectra of these perovskites reveal a bandgap of 2.03 eV for both. Short exciton lifetime from time-resolved photoluminescence (TRPL) results and low PL intensity of the Cu-based perovskite suggest a high density of trap states within the bandgap. Low frequency Raman spectra of both materials show distinct peaks and a slightly higher frequency for the Cu-based perovskite than the Ag-based perovskite. Density functional theory (DFT) calculations were conducted to simulate the low frequency Raman spectra and help explain the different phonon modes, which are collective vibrations of metal halide bond bending and stretching within the Ag- and Cu-centered octahedra coupled with MPA libration and twisting within the inorganic layer. The DFT theory also quantified octahedral distortions in the two perovskites. Furthermore, this combined experimental and computational study provides new insights into the low frequency vibrations of 2D perovskites.

Halogens↗

VERITAS : A density-functional theory-based multiband kinetic model for understanding x-ray spectroscopy of dense plasmas

X-ray spectroscopy has long been a powerful diagnostic tool for hot, dilute plasmas, providing insights into plasma conditions by measuring line shifts and broadenings of atomic transitions. The technique critically depends on the accuracy of atomic physics models used to interpret spectroscopic measurements for inferring plasma properties such as free-electron density and temperature. Over the past decades, the atomic and plasma physics communities have developed robust atomic physics models to account for various processes in hot, dilute classical plasmas. While these models have been successful in that regime, their applicability becomes uncertain when interpreting x-ray spectroscopy experiments of above-solid-density plasmas. Given that finite-temperature density-functional theory (DFT) offers a more accurate description of dense plasma environments, we present the development of a DFT-based multi-band kinetic model, VERITAS, designed to improve the interpretation of x-ray spectroscopic measurements in high-density plasmas produced by laser-driven spherical implosions. This work details the VERITAS model and its application to both time-integrated and time-resolved x-ray spectra from implosion experiments on OMEGA. The advantages and limitations of the VERITAS model will also be discussed, along with potential directions for advancing x-ray spectroscopy of dense and superdense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗