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At least 847 records · Page 47

Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization

Ab initio calculations of the phonon-induced band structure renormalization are currently based on the perturbative Allen-Heine theory and its many-body generalizations. These approaches are unsuitable to describe materials where electrons form localized polarons. Here, we develop a self-consistent, many-body Green’s function theory of band structure renormalization that incorporates localization and self-trapping. Here, we show that the present approach reduces to the Allen-Heine theory in the weak-coupling limit, and to total energy calculations of self-trapped polarons in the strong-coupling limit. To demonstrate this methodology, we reproduce the path-integral results of Feynman and diagrammatic Monte Carlo calculations for the Fröhlich model at all couplings, and we calculate the zero point renormalization of the band gap of an ionic insulator including polaronic effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sliding Dynamics for Bubble Phases on Periodic Modulated Substrates

We analyze a bubble-forming system composed of particles with competing long-range repulsive and short range attractive interactions driven over a quasi-one-dimensional periodic substrate. We find various pinned and sliding phases as a function of substrate strength and drive amplitude. When the substrate is weak, a pinned bubble phase appears that depins elastically into a sliding bubble lattice. For stronger substrates, we find anisotropic bubbles, disordered bubbles, and stripe phases. Plastic depinning occurs via the hopping of individual particles from one bubble to the next in a pinned bubble lattice, and as the drive increases, there is a transition to a state where all of the bubbles are moving but are continuously shedding and absorbing individual particles. This is followed at high drives by a moving bubble lattice in which the particles can no longer escape their individual bubbles. The transition between the plastic and elastic sliding phases can be detected via signatures in the velocity-force curves, differential conductivity, and noise. When the bubbles shrink due to an increase in the attractive interaction term, they fit better inside the pinning troughs and become more strongly pinned, leading to a reentrant pinning phase. For weaker attractive terms, the size of the bubbles becomes greater than the width of the pinning troughs and the depinning becomes elastic with a reduced depinning threshold.

36 MATERIALS SCIENCE↗

Particle Matter Index and Fuel Wall-wetting Relations on Stochastic Pre-ignition

This works explores the effect of the particle matter index (PMI) and aromatic content on fuel wall impingement and associated stochastic pre-ignition (SPI) propensity. Statically significant measurements of SPI rates are directly coupled with laser induced florescence (LIF) measurements of fuel dilution from spray-linear impingement. Literature suggests that PMI is could be correlated with the number of SPI events, but the root cause(s) of PMI and SPI are directly causational or are a predicator of SPI. Three fuels have been used in this study with 3 different PMI and two different aromatic contents. These fuels are direct injected at two different injection timings, an earlier injection timing which targets the piston crown, 310°CA bTDC, and a later injection timing that the linear, 220°CA bTDC start of injection timings (SOI) respectively. The earlier 310 SOI injection increases soot, whereas the later 220°CD SOI targets the linear and increases wall-wetting. The findings of this work highlight that the SPI activity has a weak correlation with the soot promoted by the combustion process and increased PMI. However, SPI activity shows a strong dependency with high levels of oil dilution and aromatic content, suggesting that PMI might be an indicator of fuel chemistry conducive to SPI and the soot form increased PMI fuels is not a strong source of SPI relative to fuel wall wetting.

42 ENGINEERING↗

Suzaku Observation of Diffuse X-ray Emission from the Carina Nebula

We studied extended X-ray emission from the Carina Nebula taken with the Suzaku CCD camera XIS on 2005 Aug. 29. The X-ray morphology, plasma temperature and absorption to the plasma are consistent with the earlier Einstein results. The Suzaku spectra newly revealed emission lines from various spices including oxygen, but not from nitrogen. This result restricts the N/O ratio significantly low, compared with evolved massive stellar winds, suggesting that the diffuse emission is originated in an old supernova remnant or a super shell produced by multiple supernova remnants. The X-ray spectra from the north and south of eta Car showed distinct differences between 0.3-2 keV. The south spectrum shows strong L-shell lines of iron ions and K-shell lines of silicon ions, while the north spectrum shows them weak in intensity. This means that silicon and iron abundances are a factor of 2-4 higher in the south region than in the north region. The abundance variation may be produced by an SNR ejecta, or relate to the dust formation around the star forming core.

Hamaguchi, Kenji↗

Soliton Properties of Coupled g-Mode Oscillations

Several features typical of solitons are also exhibited by stellar g-modes when coupled into "sets" that have unique rotation rates relative to the star. Enhanced nuclear burning due to weakly nonlinear amplitudes in a small portion of the stellar core holds each set together against dispersion. As the nonlinear regions of each set rotate past each other they have a complex interaction (shown in a video), yet emerge from this with their original wave forms. Other similarities with solitons we mentioned, including the physical origin of a phase shift. in longitude due to the interaction. These similarities suggest that a fully nonlinear derivation of g-mode sets may be able to show that their large amplitude regions approach true solitons.

Wolff, Charles L.↗

Robonaut 2 - IVA Experiments On-Board ISS and Development Towards EVA Capability

Robonaut 2 (R2) has completed its fixed base activities on-board the ISS and is scheduled to receive its climbing legs in early 2014. In its continuing line of firsts, the R2 torso finished up its on-orbit activities on its stanchion with the manipulation of space blanket materials and performed multiple tasks under teleoperation control by IVA astronauts. The successful completion of these two IVA experiments is a key step in Robonaut's progression towards an EVA capability. Integration with the legs and climbing inside the ISS will provide another important part of the experience that R2 will need prior to performing tasks on the outside of ISS. In support of these on-orbit activities, R2 has been traversing across handrails in simulated zero-g environments and working with EVA tools and equipment on the ground to determine manipulation strategies for an EVA Robonaut. R2 made significant advances in robotic manipulation of deformable materials in space while working with its softgoods task panel. This panel features quarter turn latches that secure a space blanket to the task panel structure. The space blanket covers two cloth cubes that are attached with Velcro to the structure. R2 was able to open and close the latches, pull back the blanket, and remove the cube underneath. R2 simulated cleaning up an EVA worksite as well, by replacing the cube and reattaching the blanket. In order to interact with the softgoods panel, R2 has both autonomously and with a human in the loop identified and localized these deformable objects. Using stereo color cameras, R2 identified characteristic elements on the softgoods panel then extracted the location and orientation of the object in its field of view using stereo disparity and kinematic transforms. R2 used both vision processing and supervisory control to successfully accomplish this important task. Teleoperation is a key capability for Robonaut's effectiveness as an EVA system. To build proficiency, crewmembers have attempted increasingly difficult tasks using R2 inside the Station. After donning motion capture equipment and a virtual reality visor, Expedition 34/35 flight engineer Tom Marshburn began operations with simple hand movements. Having gained confidence, Marshburn guided R2's arms in a leader-follower exercise with crewmate Chris Cassidy. He was also able to use the hand to grab a tumbling roll of tape, a task only demonstrable in microgravity. Later efforts saw Cassidy handle softgoods through shared control with ground operators, mimicking an activity previously achieved using only autonomy. Robotic climbing through the ISS on handrails requires both precision motion and compliant grasps in order to both position grippers on handrails/seat track and prevent large internal forces. R2 climbs using actively controlled compliance and torque limiting to meet both the precision and softness requirements. During a step, the attached leg is controlled to be strong and stiff in order to maintain precision trajectory tracking. The swing leg is controlled to be stiff but weak to minimize unintentional impact forces while maintaining precision. During a simulated dual limb grasp (as shown in Figure 1), the R2 controller maintains one limb rigid and one limb soft to prevent large internal forces from building up. R2's grippers also use a form of force control to limit grip force while not fully closed on either a handrail or seat track thus limiting unintentional forces on cables/objects that may be present in R2's translational path. The on-board torso R2 safety system relies on a single end-effector velocity limit to prevent potential impact forces from exceeding Station maximum load requirements. R2's mobile configuration required modifications to the velocity limiting safety function due to its large, dynamic inertia. R2's legs maneuver the robot's mass creating configuration dependent, joint-relative inertias. A single all-encompassing velocity limit to cover worst case inertia is prohibitively low. The upgraded R2 control and safety systems solve this problem using momentum limiting, momentum control, and kinetic energy minimization. Momentum and kinetic energy take the robot mass into account relieving low velocity restrictions on low inertia end-effectors while ensuring that the overall mass of R2 is limited from hazardous velocities. The momentum of R2's five safety nodes (each of the four end-effectors and the body) is monitored and compared to a single momentum limit. If any of the five nodes exceeds the safety limit, the motor power is removed and the robot comes to a stop. Momentum control/limiting also provides a simple, reliable method to integrate hand held tools into the safety system by providing the tool mass to the control system thus automatically reducing the allowable velocity of the end-effector with the tool. Work on the ground continues to build the skill set for an EVA Robonaut. Recent experiments (Figure 2) demonstrate how a teleoperator can use R2 to manipulate a tether hook, an important safety precaution on spacewalks. Another task displayed Robonaut's ability to pull back a protective jacket over a hose and search for damage, as well as inspect a quick-disconnect fitting for debris. Demonstrations such as these are indicative of EVA work done on ISS, specifically seen during a series of spacewalks over 2012 and 2013 where astronauts searched for an ammonia leak in one of the external cooling loops. Through experiments both on ISS and on the ground, R2 is evolving and providing the information needed to plan out the upgrades that will make an EVA Robonaut an effective tool. With the addition of legs, R2 will start climbing inside the space station and supply invaluable information on how the climbing strategies and task stabilization techniques must be refined. Ground R2 systems will continue to work with additional EVA tools and equipment in preparation for onboard IVA testing and future EVA applications.

Diftler, Myron↗

Titan Aerosol Analog Absorption Features Produced from Aromatics in the Far Infrared

We present results on the formation of Titan aerosol analogs produced via far-UV irradiation of five aromatic precursors: benzene, naphthalene, pyridine, quinoline and isoquinoline. This is the first reported evidence of far-IR emission features observed below 200 per cm in laboratory-created Titan aerosols. These laboratory studies were motivated by recent analyses of Cassini Composite Infrared Spectrometer (CIRS) spectra that show a broad aerosol emission feature in the far-IR spectral region centered near 140 per cm, which is unique to Titan's photochemically-produced aerosol. We find that all three of the aerosol analogs formed from nitrogen-containing aromatics have similar broad emission features near that of the observed CIRS far-IR aerosol spectral feature. In addition, the inclusion of 1.5% methane to that of trace amounts of benzene also gives rise to an aerosol with a weak far-IR emission feature located below 200 per cm.

atmosphere↗

Linear Interaction Approximation for the Prediction of Noise Generated by Turbulence/Shock Interaction

In this paper we review the basic development of Linear Interaction Approximation (LIA), a linear inviscid approach to study the interaction of weak turbulence with flow discontinuities, and implement a formulation to calculate the acoustic field due to the incidence of vortical and entropic disturbances on a planar shock. The work is motivated by the observance in nozzles with internal mixers and external plugs of a shock formed by local flow accelerations, even at sub-critical pressure ratios. Exhaust systems with internally mixed/externally plugged nozzles are currently under consideration for use in commercial supersonic aircraft and it is important to have an assessment of the impact of this shock on the noise radiated by these nozzles. Numerical results are presented for the fluctuating pressure emitted by (separate) incident single-wave vorticity and entropy modes and for incident isotropic fields of turbulence and entropy. Further applications of the formulation to the flow fields in internally mixed/externally plugged nozzles, and to the modification of mixing noise sources and the scattering of internally generated noise by the shock, are discussed as future work.

: Jet noise, shock waves, aircraft noise↗

Linear Interaction Approximation for the Prediction of Noise Generated by Turbulence/Shock Interactions

In this paper we review the basic development of Linear Interaction Approximation (LIA), a linear inviscid approach to study the interaction of weak turbulence with flow discontinuities, and implement a formulation to calculate the acoustic field due to the incidence of vortical and entropic disturbances on a planar shock. The work is motivated by the observance in nozzles with internal mixers and external plugs of a shock formed by local flow accelerations, even at sub-critical pressure ratios. Exhaust systems with internally mixed/externally plugged nozzles are currently under consideration for use in commercial supersonic aircraft and it is important to have an assessment of the impact of this shock on the noise radiated by these nozzles. Numerical results are presented for the fluctuating pressure emitted by (separate) incident single-wave vorticity and entropy modes and for incident isotropic fields of turbulence and entropy. Further applications of the formulation to the flow fields in internally mixed/externally plugged nozzles, and to the modification of mixing noise sources and the scattering of internally generated noise by the shock, are discussed as future work.

Jet noise, shock waves, aircraft noise↗

Linear Interaction Approximation for the Prediction of Noise Generated by Turbulence/Shock Interaction

In this paper we review the basic development of Linear Interaction Approximation (LIA), a linear inviscid approach to study the interaction of weak turbulence with flow discontinuities, and implement a formulation to calculate the acoustic field due to the incidence of vortical and entropic disturbances on a planar shock. The work is motivated by the observance in nozzles with internal mixers and external plugs of a shock formed by local flow accelerations, even at sub-critical pressure ratios. Exhaust systems with internally mixed/externally plugged nozzles are currently under consideration for use in commercial supersonic aircraft and it is important to have an assessment of the impact of this shock on the noise radiated by these nozzles. Numerical results are presented for the fluctuating pressure emitted by (separate) incident single-wave vorticity and entropy modes and for incident isotropic fields of turbulence and entropy. Further applications of the formulation to the flow fields in internally mixed/externally plugged nozzles, and to the modification of mixing noise sources and the scattering of internally generated noise by the shock, are discussed as future work.

Jet noise↗

A Dicationic fac -Re(bpy)(CO) 3 Cl for CO 2 Electroreduction at a Reduced Overpotential

Here, a dicationic Re bipyridine-type complex, fac-Re(6,6'-(2-((trimethylammonio)-methyl)phenyl)-2,2'-bipyridine)(CO) 3 Cl hexafluorophosphate (1 2+ ), has been synthesized and its electrochemical behavior under Ar and CO 2 has been investigated. The presence of pendent tetra-alkylammonium cations induces an anodic shift in the electrocatalytic potential for CO 2 reduction relative to structurally similar model complexes. The electrochemical mechanisms in anhydrous CH 3 CN and in the presence of weak acids (water or trifluoroethanol) have been analyzed using cyclic voltammetry assisted by infrared spectroelectrochemistry and theoretical calculations. The dication enables catalysis at a diminished potential through coulombic stabilization of the doubly reduced pentacoordinate species, its CO 2 adduct, the hydroxide anion, and the conjugate base formed during acid-assisted C-OH bond cleavage of the metallocarboxylic acid to the metallocarbonyl and H 2 O. The major reduction product is CO, but in the presence of trifluoroethanol, formate is also produced with 14% Faradaic efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Carborane-Derived Proton-Coupled Electron Transfer Reagent

Reagents capable of concerted proton–electron transfer (CPET) reactions can access reaction pathways with lower reaction barriers compared to stepwise pathways involving electron transfer (ET) and proton transfer (PT). To realize reductive multielectron/proton transformations involving CPET, one approach that has shown recent promise involves coupling a cobaltocene ET site with a protonated arylamine Brønsted acid PT site. This strategy colocalizes the electron/proton in a matter compatible with a CPET step and net reductive electrocatalysis. To probe the generality of such an approach a class of C,C'-diaryl-ocarboranes is herein explored as a conceptual substitute for the cobaltocene subunit, with an arylamine linkage still serving as a colocalized Brønsted base suitable for protonation. The featured ocarborane (PhCbPh N ) can be reduced and protonated to generate an N–H bond with a weak effective bond dissociation free energy (BDFE eff ) of 31 kcal/mol, estimated with measured thermodynamic data. This N–H bond is among the lowest measured element–H bonds for analyzed nonmetal compounds. Distinct solid-state crystal structures of the one- and two-electron reduced forms of diaryl-o-carboranes are disclosed to gain insight into their well-behaved redox characteristics. The singly reduced, protonated form of the diaryl-o-carborane can mediate multi-ET/PT reductions of azoarenes, diphenylfumarate, and nitrotoluene. In contrast to the aforementioned cobaltocene system, available mechanistic data disclosed herein support these reactions occurring by a rate-limiting ET step and not a CPET step. A relevant hydrogen evolution reaction (HER) reaction was also studied, with data pointing to a PT/ ET/PT mechanism, where the reduced carborane core is itself highly stable to protonation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optical second harmonic generation in anisotropic multilayers with complete multireflection of linear and nonlinear waves using ♯SHAARP.ml package

Abstract Optical second harmonic generation (SHG) is a nonlinear optical effect widely used for nonlinear optical microscopy and laser frequency conversion. Closed-form analytical solution of the nonlinear optical responses is essential for evaluating materials whose optical properties are unknown a priori. A recent open-source code, ♯SHAARP. si , can provide such closed form solutions for crystals with arbitrary symmetries, orientations, and anisotropic properties at a single interface. However, optical components are often in the form of slabs, thin films on substrates, and multilayer heterostructures with multiple reflections of both the fundamental and up to ten different SHG waves at each interface, adding significant complexity. Many approximations have therefore been employed in the existing analytical approaches, such as slowly varying approximation, weak reflection of the nonlinear polarization, transparent medium, high crystallographic symmetry, Kleinman symmetry, easy crystal orientation along a high-symmetry direction, phase matching conditions and negligible interference among nonlinear waves, which may lead to large errors in the reported material properties. To avoid these approximations, we have developed an open-source package named Second Harmonic Analysis of Anisotropic Rotational Polarimetry in Multilayers (♯SHAARP. ml ). The reliability and accuracy are established by experimentally benchmarking with both the SHG polarimetry and Maker fringes using standard and commonly used nonlinear optical materials as well as twisted 2-dimensional heterostructures.

36 MATERIALS SCIENCE↗

Is Cs 2 TiBr 6 a promising Pb-free perovskite for solar energy applications?

In a quest for Pb-free perovskites suitable for solar energy applications, Cs 2 TiBr 6 has recently been reported as a promising compound, with appropriate optical and electrical properties as well as high stability under environmental stresses. In this study, we pursue investigation on this compound, demonstrating phase pure Cs 2 TiBr 6 powder formation using solution synthesis and providing complementary experimental characterization and theoretical calculations. An experimental absorption onset of around 2.0 eV is extracted and a weak broad photoluminescence is measured. Density functional theory calculations predict an indirect bandgap, parity-forbidden for both the direct and indirect transitions, which explains the weak and Stokes shifted luminescence. Additionally, we highlight the strong instability of Cs 2 TiBr 6 powder in ambient atmosphere. Therefore, our experimental results supported by theoretical calculations differ from previous results and raise doubts on the suitability of Cs 2 TiBr 6 in its pristine form for solar energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modified gravity constraints from the full shape modeling of clustering measurements from DESI 2024

We present cosmological constraints on deviations from general relativity (GR) from the first-year of clustering observations from the Dark Energy Spectroscopic Instrument (DESI) in combination with other available datasets including the CMB data from Planck with CMB-lensing from Planck and ACT, BBN constraints on the physical baryon density, the galaxy weak lensing and clustering from DESY3 and supernova data from DESY5. We first consider the μ(a,k)–Σ(a,k) modified gravity (MG) parameterization (as well as η(a,k)) in a ΛCDM and a w 0 w a CDM cosmological backgrounds. Using a functional form for time-only evolution gives μ 0 = 0.11 +0.44 -0.54 from DESI(FS+BAO)+BBN and a wide prior on n s . Using DESI(FS+BAO)+CMB+DESY3+DESY5-SN, we obtain μ 0 = 0.05 ± 0.22 and Σ 0 = 0.008 ± 0.045 and similarly μ 0 = 0.02 +0.19 -0.24 and η 0 = 0.09 +0.36 -0.60 , in an ΛCDM background. In w 0 w a CDM we obtain μ 0 = -0.24 +0.32 -0.28 and Σ 0 = 0.006 ± 0.043, consistent with GR, and we still find a preference of the data for a dynamical dark energy with w 0 > -1 and w a < 0. Using functional dependencies in both time and scale gives μ 0 and Σ 0 with a same level of precision as above but other scale MG parameters remain hard to constrain. We then move to binned parameterizations in a ΛCDM background starting with two bins in redshift and obtain, μ 1 = 1.02 ± 0.13, μ 2 = 1.04 ± 0.11, Σ 1 = 1.021 ± 0.029 and Σ 2 = 1.022 +0.027 -0.023 , all consistent with the unity value of GR in the binning formalism. We then extend the analysis to combine two bins in redshift and two in scale giving 8 MG parameters that we find all consistent with GR. We note that we find here that the tension reported in previous studies about Σ 0 being inconsistent with GR when using Planck PR3 data goes away when we use the recent LoLLiPoP+HiLLiPoP likelihoods. As noted in previous studies, this seems to indicate that the tension is indeed related to the CMB lensing anomaly in PR3 which is also resolved when using the recent likelihoods. We then constrain the class of Horndeski theory in the effective field theory of dark energy approach. We consider both EFT-basis and α-basis in the analysis. Assuming a power law parameterization for the EFT function Ω, which controls non-minimal coupling, we obtain Ω 0 = 0.012 +0.001 -0.012 and s 0 = 0.996 +0.54 -0.20 from the combination of DESI(FS+BAO)+DESY5SN+CMB in a ΛCDM background, which are consistent with GR. Similar results are obtained when using the α-basis and assuming no-braiding (α B = 0) giving c M < 1.14 at 95% CL in a ΛCDM background, also in agreement with GR. However, we see a mild yet consistent indication for c B > 0 when α B is allowed to vary which will require further study to determine whether this is due to systematics or new physics.

79 ASTRONOMY AND ASTROPHYSICS↗

Sliding dynamics for bubble phases on periodic modulated substrates

We analyze a bubble-forming system composed of particles with competing long-range repulsive and short-range attractive interactions driven over a quasi-one-dimensional periodic substrate. We find various pinned and sliding phases as a function of substrate strength and drive amplitude. When the substrate is weak, a pinned bubble phase appears that depins elastically into a sliding bubble lattice. For stronger substrates, we find anisotropic bubbles, disordered bubbles, and stripe phases. Plastic depinning occurs via the hopping of individual particles from one bubble to the next in a pinned bubble lattice, and as the drive increases, there is a transition to a state where all of the bubbles are moving but are continuously shedding and absorbing individual particles. This is followed at high drives by a moving bubble lattice in which the particles can no longer escape their individual bubbles. The transition between the plastic and elastic sliding phases can be detected via signatures in the velocity-force curves, differential conductivity, and noise. When the bubbles shrink due to an increase in the attractive interaction term, they fit better inside the pinning troughs and become more strongly pinned, leading to a reentrant pinning phase. For weaker attractive terms, the size of the bubbles becomes greater than the width of the pinning troughs and the depinning becomes elastic with a reduced depinning threshold. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Diffuse interstellar band formation in dense clouds

Measurements of the strengths of the diffuse interstellar bands at 4430, 5780 and 5797 A show that the bands tend to be weak with respect to extinction in dense interstellar clouds. Data on 10 stars in the rho Ophiuchi cloud complex show further that the diffuse band-producing efficiency of the grains decreases systematically with increasing grain size. It is concluded that the diffuse bands are not formed in the mantles which accrete on the grains in interstellar clouds, but that they could be produced in the cores of grains or in some molecular species.

Snow, T. P., Jr.↗

The Sagatu Ridge dike swarm, Ethiopian rift margin

A swarm of dikes forms the core of the Sagatu Ridge, a 70-km-long topographic feature elevated to more than 4000 m above sea level and 1500 m above the level of the Eastern (Somalian) plateau. The ridge trends NNE and lies about 50 km east of the northeasterly trending rift-valley margin. Intrusion of the dikes and buildup of the flood-lava pile, largely hawaiitic but with trachyte preponderant in the final stages, occurred during the late Pliocene-early Pleistocene and may have been contemporaneous with downwarping of the protorift trough to the west. The ensuing faulting that formed the present rift margin, however, bypassed the ridge. The peculiar situation and orientation of the Sagatu Ridge, and its temporary existence as a line of crustal extension and voluminous magmatism, are considered related to a powerful structural control by a major line of Precambrian crustal weakness, well exposed further south. Transverse rift structures of unknown type appear to have limited the development of the ridge to the north and south.

Mohr, P. A.↗