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At least 109 records · Page 6

Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach

Abstract Charge transport in organic molecular crystals (OMCs) is conventionally categorized into two limiting regimes − band transport, characterized by weak electron-phonon (e-ph) interactions, and charge hopping due to localized polarons formed by strong e-ph interactions. However, between these two limiting cases there is a less well understood intermediate regime where polarons are present but transport does not occur via hopping. Here we show a many-body first-principles approach that can accurately predict the carrier mobility in this intermediate regime and shed light on its microscopic origin. Our approach combines a finite-temperature cumulant method to describe strong e-ph interactions with Green-Kubo transport calculations. We apply this parameter-free framework to naphthalene crystal, demonstrating electron mobility predictions within a factor of 1.5−2 of experiment between 100 and 300 K. Our analysis reveals the formation of a broad polaron satellite peak in the electron spectral function and the failure of the Boltzmann equation in the intermediate regime.

36 MATERIALS SCIENCE↗

Wormholes and black hole microstates in AdS/CFT

It has long been known that the coarse-grained approximation to the black hole density of states can be computed using classical Euclidean gravity. In this work we argue for another entry in the dictionary between Euclidean gravity and black hole physics, namely that Euclidean wormholes describe a coarse-grained approximation to the energy level statistics of black hole microstates. To do so we use the method of constrained instantons to obtain an integral representation of wormhole amplitudes in Einstein gravity and in full-fledged AdS/CFT. These amplitudes are non-perturbative corrections to the two-boundary problem in AdS quantum gravity. The full amplitude is likely UV sensitive, dominated by small wormholes, but we show it admits an integral transformation with a macroscopic, weakly curved saddle-point approximation. The saddle is the “double cone” geometry of Saad, Shenker, and Stanford, with fixed moduli. In the boundary description this saddle appears to dominate a smeared version of the connected two-point function of the black hole density of states, and suggests level repulsion in the microstate spectrum. Using these methods we further study Euclidean wormholes in pure Einstein gravity and in IIB supergravity on Euclidean AdS 5 × S 5 . We address the perturbative stability of these backgrounds and study brane nucleation instabilities in 10d supergravity. In particular, brane nucleation instabilities of the Euclidean wormholes are lifted by the analytic continuation required to obtain the Lorentzian spectral form factor from gravity. Our results indicate a factorization paradox in AdS/CFT.

79 ASTRONOMY AND ASTROPHYSICS↗

Gravitational Effects on Distortion in Sintering

During sintering a powder compact gains strength through low-temperature interparticle bonding, usually induced by solid-state surface diffusion, followed by further strength contributions from high-temperature densification. In cases where a liquid phase forms, sintering densification is accelerated and shape retention is sustained while open pores remain and contribute capillary forces. Unfortunately, sintering densification requires the compact become thermally softened to a point where creep strain rates reach levels near 10(exp -2)/s when the liquid forms. On the other hand, thermal softening of the powder compact substantially reduces the strength at high temperatures. Therefore, the in situ strength evolution during sintering is a primary focus to separate compact densification (as required for high performance) with minimized distortion (as required for net-shaping). With respect to gravitation effects on distortion during sintering there are two points of substantial weakness - prior to significant interparticle bonding and during final pore closure. This research is focused on understanding the competition among interparticle neck growth, densification, thermal softening, grain boundary wetting, capillary effects associated with liquid wetting and residual porosity, and gravity. Most surprising is the apparent role of gravity, where the deviatoric stress acting on the powder structure induces skeletal formation that reduces distortion. In contrast with theory, microgravity samples exhibit more distortion yet fail to fully densify. Results are presented on the experimental concepts supporting an emerging model of sintering strength evolution that enables understanding of both distortion and densification. The experiments have relied on tungsten heavy alloys, various combinations of dihedral angle, pore size, initial porosity, liquid:solid ratio, and heating rates. On Earth, the dominant factor with respect to distortion is the starting body heterogeneity. Current modeling efforts are seeking some means to uniformly predict the distortion based on a starting pore structure heterogeneity parameter. Densification is largely unaffected by the initial pore structure, but distortion is highly variable, suggesting that nonuniform pore closure might be a significant parameter during sintering. With respect to flight experiments, plans include removal of the solid body forces acting on the solid grains, allowing stabilization of the pore structure and examination of the buoyancy effects with regard to distortion. In microgravity there is the surprising result that compacts do not densify, yet distort a factor that is contrary to all current sintering models. Densification without distortion during liquid phase sintering was achieved by manipulating microstructure and its evolution during sintering. Microstructure parameters such as the solid volume fraction, dihedral angle, initial porosity, and pore size were varied to measure densification and distortion behavior during LPS using W-Ni-Cu alloys. Green compacts were formed using ethylene-bis-stearamide as a pore-forming agent with the amount of polymer controlling the initial porosity. Different initial pore sizes were generated by varying the polymer particle size. Dihedral angle was varied by changing the Ni:Cu ratio in the alloys. Finally, the solid volume fraction was adjusted via the tungsten content. Distortion was quantified using profiles determined with a coordinate measuring machine to calculate a distortion parameter. Sintering results showed that solid volume fraction and dihedral angle are the dominant factors on densification and distortion during liquid phase sintering. Distortion decreases with increasing solid volume fraction and dihedral angle, while initial porosity and pore size have no observable effect on distortion at nearly full densification. Various strategies emerge to improve distortion control in liquid phase sintering.

German, Randall M.↗

Emergence of many-body quantum chaos via spontaneous breaking of unitarity

It is suggested that many-body quantum chaos appears as the spontaneous symmetry breaking of unitarity in interacting quantum many-body systems. It has been shown that many-body level statistics, probed by the spectral form factor (SFF) defined as K(η,t)=$\langle$|Tr exp(-ηH+itH)| 2 $\rangle$, is dominated by a diffuson-type mode in a field theory analysis. The key finding of this Letter is that the “unitary” η = 0 case is different from the η → 0 ± limit, with the latter leading to a finite mass of these modes due to interactions. This mass suppresses a rapid exponential ramp in the SFF, which is responsible for the fast emergence of Poisson statistics in the noninteracting case, and gives rise to a nontrivial random matrix structure of many-body levels. The interaction-induced mass in the SFF shares similarities with the dephasing rate in the theory of weak localization and the Lyapunov exponent of the out-of-time-ordered correlators.

36 MATERIALS SCIENCE↗

A finite element based method for solution of optimal control problems

A temporal finite element based on a mixed form of the Hamiltonian weak principle is presented for optimal control problems. The mixed form of this principle contains both states and costates as primary variables that are expanded in terms of elemental values and simple shape functions. Unlike other variational approaches to optimal control problems, however, time derivatives of the states and costates do not appear in the governing variational equation. Instead, the only quantities whose time derivatives appear therein are virtual states and virtual costates. Also noteworthy among characteristics of the finite element formulation is the fact that in the algebraic equations which contain costates, they appear linearly. Thus, the remaining equations can be solved iteratively without initial guesses for the costates; this reduces the size of the problem by about a factor of two. Numerical results are presented herein for an elementary trajectory optimization problem which show very good agreement with the exact solution along with excellent computational efficiency and self-starting capability. The goal is to evaluate the feasibility of this approach for real-time guidance applications. To this end, a simplified two-stage, four-state model for an advanced launch vehicle application is presented which is suitable for finite element solution.

Bless, Robert R.↗

Infrared luminosity functions for the young stellar population associated with the L1641 molecular cloud

Results are reported of a deep near-IR imaging survey which samples 0.77 sq deg of the L1641 star-forming complex and reaches 5 sigma limits at J (1.25 micron,), H (1.65 micron), and K (2.2 microns) of 16.8, 15.8, and 14.7 mag, respectively. A population of about 1500 stars spread throughout the cloud, seven small aggregates comprised of 10-50 stars whose typical projected surface densities exceed that of the distributed population by factors of 4-10, and a heretofore unknown, partially embedded dense cluster comprised of about 150 stars are identified. Analysis of the distribution of (J-H), (H-K), and (R-I) colors for these groups suggest that, in all cases, the stellar populations are dominated by solar-type PMS stars which appear to contain a mix of objects analogous to weak-line T Tauri stars. The present observed luminosity functions are based on reddening-corrected J-band magnitude.

Strom, Karen M.↗

A family of independent Variable Eddington Factor methods with efficient preconditioned iterative solvers

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with the Discontinuous Galerkin transport discretization from to form effective high-order, linear transport methods. The VEF discretizations are derived by extending the unified analysis of Discontinuous Galerkin methods for elliptic problems presented by Arnold et al. to the VEF equations. This framework is used to define analogs of the interior penalty, second method of Bassi and Rebay, minimal dissipation local Discontinuous Galerkin, and continuous finite element methods. The analysis of subspace correction preconditioners, which use a continuous operator to iteratively precondition the discontinuous discretization, is extended to the case of the non-symmetric VEF system. Numerical results demonstrate that the VEF discretizations have arbitrary-order accuracy on curved meshes, preserve the thick diffusion limit, and are effective on a proxy problem from thermal radiative transfer in both outer transport iterations and inner preconditioned linear solver iterations. We demonstrate that the VEF solution converges to the S N transport solution as the mesh is refined on both problems with smooth and non-smooth behavior in angle. Parallel performance studies show that the interior penalty VEF discretization's linear solve weak scales out to 1024 processors and strong scales well on a single node. Particular attention is paid to the parallel performance of the VEF algorithm when used in combination with a parallel block Jacobi transport sweep.

97 MATHEMATICS AND COMPUTING↗

What Controls the Temperature of the Arctic Stratosphere during the Spring?

Understanding the mechanisms that control the temperature of the polar lower stratosphere during spring is key to understanding ozone loss in the Arctic polar vortex. Spring ozone loss rates are directly tied to polar stratospheric temperatures by the formation of polar stratospheric clouds, and the conversion of chlorine species to reactive forms on these cloud particle surfaces. In this paper, we study those factors that control temperatures in the polar lower stratosphere. We use the National Centers for Environmental Prediction (NCEP)/NCAR reanalysis data covering the last two decades to investigate how planetary wave driving of the stratosphere is connected to polar temperatures. In particular, we show that planetary waves forced in the troposphere in mid- to late winter (January-February) are principally responsible for the mean polar temperature during the March period. These planetary waves are forced by both thermal and orographic processes in the troposphere, and propagate into the stratosphere in the mid and high latitudes. Strong mid-winter planetary wave forcing leads to a warmer Arctic lower stratosphere in early spring, while weak mid-winter forcing leads to cooler Arctic temperatures.

Newman, Paul A.↗

Neutrino masses from low scale partial compositeness

We consider a class of models in which the neutrinos acquire Majorana masses through mixing with singlet neutrinos that emerge as composite states of a strongly coupled hidden sector. In this framework, the light neutrinos are partially composite particles that obtain their masses through the inverse seesaw mechanism. We focus on the scenario in which the strong dynamics is approximately conformal in the ultraviolet, and the compositeness scale lies at or below the weak scale. The small parameters in the Lagrangian necessary to realize the observed neutrino masses can naturally arise as a consequence of the scaling dimensions of operators in the conformal field theory. We show that this class of models has interesting implications for a wide variety of experiments, including colliders and beam dumps, searches for lepton flavor violation and neutrinoless double beta decay, and cosmological observations. At colliders and beam dumps, this scenario can give rise to striking signals involving multiple displaced vertices. The exchange of hidden sector states can lead to observable rates for flavor violating processes such as μ → eγ and μ → e conversion. If the compositeness scale lies at or below a hundred MeV, the rate for neutrinoless double beta decay is suppressed by form factors and may be reduced by an order of magnitude or more. The late decays of relic singlet neutrinos can give rise to spectral distortions in the cosmic microwave background that are large enough to be observed in future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Understanding Relationships between Free Volume and Oxygen Absorption in Ionic Liquids

In this report understanding the factors that govern gas absorption in ionic liquids is critical to the development of high-capacity solvents for catalysis, electrochemistry, and gas separations. Here, we report experimental probes of liquid structure that provide insights into how free volume impacts the O 2 absorption properties of ionic liquids. Specifically, we establish that isothermal compressibility - measured rapidly and accurately through small-angle X-ray scattering - reports on the size distribution of transient voids within a representative series of ionic liquids and is correlated with O 2 absorption capacity. Additionally, O 2 absorption capacities are correlated with thermal expansion coefficients, reflecting the beneficial effect of weak intermolecular interactions in ionic liquids on free volume and gas absorption capacity. Molecular dynamics simulations show that the void size distribution - in particular, the probability of forming larger voids within an ionic liquid - has a greater impact on O 2 absorption than the total free volume. These results establish relationships between the ionic liquid structure and gas absorption properties that offer design strategies for ionic liquids with high gas solubilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of gravitational overloads, hypokinesia and hypodynamia on the vessels of the pulmonary blood circuit

Vessels of the pulmonary circuit are studied under normal conditions, in exposure to single stress or continuous threshold endurable chestspine gravitational stresses, and one to eight weak hypokinesia and hypodynamic effects followed by stress. Examination methods include rentgenography and microrentgenography, clearing, and histology. In exposure to gravitational stress the distal portions of the arterial vessels of the 3 and 4 orders constrict, while all veins dilate. Sinuosity of all vessels is noted. The volume of the capillary bed increases and signs of perivascular edema occur. Due to hypokinesia and hypodynamia the arteries constricted and the arterial bed becomes poor. The veins of all orders dilate and the volume of the capillary bed increases. The changes grew greater the longer the terms of hypodyamic effects. Successive combination of hypokinesia and hypodynamia and gravitational stresses cause more pronounced changes than separate effects of these two factors and result in great deformity of the vascular walls, including their rupture and penetration of formed elements beyond the limits of the vascular bed.

Kasimtsev, A. A.↗

The multiplicity of T Tauri stars in the star forming regions Taurus-Auriga and Ophiuchus-Scorpius: A 2.2 micron speckle imaging survey

We present the results of a magnitude limited (K less than = 8.5 mag) speckle imaging survey of 69 T Tauri stars in the star forming regions Taurus-Auriga and Ophiuchus-Scorpius. Thirty-three companion stars were found with separations ranging from 0.07 sec to 2.5 sec, nine are new detections. This survey reveals a distinction between the classical T Tauri stars (CTTS) and the weak-lined T Tauri stars (WTTS) based on the binary star frequency as a function of separation: the WTTS binary star distribution is enhanced at the closer separations (less than 50 AU) relative to the CTTS binary star distribution. We suggest that the nearby companion stars shorten the accretion time scale in multiple star systems, thereby accounting for the presence of WTTS that are coeval with many CTTS. The binary star frequency in the projected linear separation range 16 to 252 AU for T Tauri stars (60 (+/- 17)%) is a factor of 4 greater than that of the solar-type main-sequence stars (16(+/- 3)%). Given the limited separation range of this survey, the rate at which binaries are detected suggests that most, if not all, T Tauri stars have companions. We propose that the observed overabundance of companions of T Tauri stars is an evolutionary effect, in which triple and higher order T Tauri stars are disrupted by close encounters with another star or system of stars.

Ghez, A. M.↗

Discovery of Be/x-ray stars in two supernova remnants in the Small Magellanic Cloud

We present ROSAT high resolution x-ray images of two previously cataloged supernova remnants in the Small Magellanic Cloud (SMC): 0101-72.4 and 0104-72.3. These remnants were known to show optical, x-ray, and radio emission based on earlier observations: the present data show the first evidence for arcsecond-scale x-ray structure. There is no diffuse x-ray emission associated with the optically emitting shell in 0101-72.4; we set a 3 sigma upper limit of 7 x 10(exp 34) erg s(exp -1) on the 0.02-2 keV luminosity from the region. The x-ray emission comes instead from a weak pointlike object near the limb of the remnant. Optical observations of this source reveal a m(sub v) = 14.8 blue star with H alpha and H beta in emission; we identify this as a Be star in the SMC. No evidence for variability down to time scales of about 1 s was found in the ROSAT data; however, a comparison of the ROSAT and Einstein fluxes indicates possible long term variability by a factor of approximately 2 over several years. The other SNR, 0104-72.3, also contains a pointlike x-ray source with a blue optical counterpart (m(sub v) = 16.7) and H alpha emission. We tentatively identify this as a Be star as well. In addition to the point source there is weak diffuse x-ray emission from 0104-72.3 (L(sub x) approximately 1.4 x 10(exp 35) erg s(exp -1)), but the remnant's appearance in the x-ray band is considerably different from that in either the radio or optical band. We argue for a physical association between the supernova remnants (SNRs) and Be/x-ray stars. A large space velocity (greater than or approximately 100 km s(exp -1)) for the Be/x-ray binaries is required if the explosions that produced the remnants also formed the neutron stars in the binaries. Alternatively, the associations could be the result of common membership in OB associations in the SMC.

Hughes, John P.↗

Lidar measurements using large liquid mirror telescopes

It is a well accepted practice in the discussion of lidars to compare systems by a performance factor given by the product of the transmitter power and receiver aperture. This form of the performance factor reflects the two key parameters that determine the amount of photons recorded from a given range bin; the amount of transmitted photons and the probability of collecting a scattered photon. We are interested in studying the propagation and breaking of gravity waves typically generated in the lower atmosphere. To study these waves requires high temporal and spatial resolution, as they have frequencies as high as 500 mHz and generate turbulent structures with vertical scales of less than 25 m. In the 80 - 100 km region of the atmosphere these measurements are most efficiently obtained by using resonance scattering from sodium atoms deposited by meteors. However, in the 30 - 80 km region, the most efficient scattering arises from molecules (Rayleigh scattering). Since the atmospheric scale height is nominally 7 km, this scattering becomes extremely weak above 60 km. Furthermore, present laser technology limits the power available for Rayleigh-scattering experiments to about 0.5 - 50 W. The transmitter for the lidar system under development at the University of Western Ontario uses a two-beam transmitter to simultaneously measure density perturbations and temperature from both Rayleigh and resonance scattering.

Sica, R. J.↗

Highly accelerated life testing (HALT): A review from a statistical perspective

Despite its use in one form or another for at least four decades, HALT and related techniques [e.g., highly accelerated-stress screening (HASS) and stress audits (HASA)] are not well understood within the statistical community and remain controversial. This largely reflects a conflict in motivation between engineers, testing under harsh conditions to discover and eliminate failure modes, and statisticians, taking a more cautious approach to develop quantitative estimates of parameters such as mean time between failures (MTBF). Here, this review article will clarify HALT concepts and methods and explain where it fits within the universe of methods that involve the application of accelerating factors to compress the time required to evaluate or enhance product reliability. A major distinction is between methods such as HALT, a high-stress test-analyze-fix-test iterative process directed at improving reliability by discovering and fixing weak points in a design, and quantitative accelerated life testing (QALT), whose goal is the estimation of product life for a fixed design. We discuss methods such as physics of failure that offer some hope of bridging the gap between the qualitative nature of HALT, and purely quantitative statistical methods. We present a variety of engineering applications of HALT including metal fatigue, piping and pressure vessels, structural damage, radiation damage, and rotating machinery. We also discuss potential synergies between HALT and QALT, such as rapid identification, through HALT, of failure modes requiring quantitative analysis. For further study, extensive references to the applicable literature are provided as well as an appendix that describes related methods.

97 MATHEMATICS AND COMPUTING↗

A New Satellite System for Measuring BRDF from Space

Formation flying of satellites is at the beginning of an explosive growth curve. Spacecraft buses are shrinking to the point where we will soon be able to launch 10 micro-satellites or 100 nano-satellites on a single launch vehicle. Simultaneously, spectrometers are just beginning to be flown in space by both the U.S. and Europe. On-board programmable band aggregation will soon allow exactly the spectral bands desired to be returned to Earth. Further efforts are being devoted to radically shrink spectrometers both in size and weight. And GPS positioning and attitude determination, plus new technologies for attitude control, will allow fleets of satellites to all point at the same Earth target. All these advances, in combination, make possible for the first time the proper measurement of Bidirectional Reflectance Distribution (BRDF) form space. Previously space BDRF's were mere composites, built up over time by viewing different types of scenes at different times, then creating catalogs of BDRF functions whose use relied upon correct "scene identification" --the weak link. Formation-flying micro-satellites, carrying programmable spectrometers and precision-pointing at the same Earth target, can measure the full BDRF simultaneously, in real time. This talk will review these technological advances and discuss an actual proposed concept, based on these advances, to measure Earth-target BDRF's (clouds as well as surface) across the full solar spectrum in the 2010 timeframe. This concept is part of a larger concept called Leonardo for properly measuring the radiative forcing of Earth for climate purposes; lack of knowing of BDRF and of diurnal cycle are at present the two limiting factors preventing improved estimates of this forcing.

Wiscombe, W.↗

Reconstructing cosmic polarization rotation with ResUNet-CMB

Cosmic polarization rotation, which may result from parity-violating new physics or the presence of primordial magnetic fields, converts E-mode polarization of the cosmic microwave background (CMB) into B-mode polarization. Anisotropic cosmic polarization rotation leads to statistical anisotropy in CMB polarization and can be reconstructed with quadratic estimator techniques similar to those designed for gravitational lensing of the CMB. At the sensitivity of upcoming CMB surveys, lensing-induced B-mode polarization will act as a limiting factor in the search for anisotropic cosmic polarization rotation, meaning that an analysis which incorporates some form of delensing will be required to improve constraints on the effect with future surveys. In this study we extend the ResUNet-CMB convolutional neural network to reconstruct anisotropic cosmic polarization rotation in the presence of gravitational lensing and patchy reionization, and we show that the network simultaneously reconstructs all three effects with variance that is lower than that from the standard quadratic estimator nearly matching the performance of an iterative reconstruction method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pushing the Limits of Pulse Shape Discrimination in a Large Liquid Xenon Detector

The LUX-ZEPLIN (LZ) experiment is a direct-detection dark matter experiment, optimized to search for weakly interacting massive particles (WIMPs) through WIMP-nucleon interactions. The main challenge in dark matter detection is differentiating between WIMP signals and background events. In LZ, the ratio of ionization to scintillation signals (charge-to-light) is the primary method for rejecting electronic recoil (ER) background. Pulse shape discrimination (PSD) offers a method for additional ER backgrounds rejection in liquid xenon detectors. In this paper, the discrimination power of PSD with the LZ experiment is discussed. To precisely characterize the scintillation pulse shape, an analysis framework is developed to reconstruct the detection time of individual photons. Using LZ calibration data, the photon-timing prompt fraction discriminator is optimized and achieves ER leakage as low as $15\%$. For specific background processes such as $^{124}$Xe double electron capture, the leakage is reduced further to about $5\%$. PSD is combined with charge-to-light to form two-factor discrimination (TFD). The optimized TFD performance is compared with the performance of the charge-to-light method, with the corresponding false positive rate reduced by up to a factor of two for large scintillation pulses. Finally, PSD and TFD are applied to data from LZ's WS2024 run and their performance is summarized.

Akerib, D. S. [SLAC; KIPAC, Menlo Park]↗