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At least 217 records · Page 12

New infrared objects associated with OH masers

Results of a search for IR radiation at 10 microns from a sample of OH maser sources are reported. An IR source is discovered near each of six OH masers which emit mainly at 1612 MHz in two distinct velocity ranges. It is shown that all the sources have varied with time, that two sources have exhibited significant variations in color temperature, and that the energy distributions of the six objects over the spectral range from 2 to 20 microns fall into two categories. Absorption in the 2.3-micron band of CO is detected in two sources, and four are found to display substantial silicate absorption features. The energy distributions of the sources indicate that pumping by 35-micron photons is feasible, but 2.8-micron pumping is very unlikely; the distributions are best explained as emission from very thick dust shells at temperatures of about 500 K. The data are taken as supporting the hypothesis that every double-peaked OH maser emitting principally at 1612 MHz is associated with an IR object. The nature of the objects inside the dust shells and their evolutionary state are briefly discussed.

Evans, N. J., II↗

X-ray spectra of Hercules X-1. I - Iron line fluorescence from a subrelativistic shell

The X-ray spectrum of Her X-1 was observed in the energy range from 2 to 24 keV from August 29 to September 3, 1975. Emission features are observed near the K-alpha iron-line energy which exhibit both broadening and a double line structure. The total luminosity in these features is about 4 by 10 to the 35th power ergs/s. Iron line fluorescence from an opaque cool (not exceeding 1 million K) shell of material at the Alfven surface provides the necessary luminosity in this feature. The double line structure and the line energy width can be due to Doppler shifts if the shell is forced to corotate with the pulsar at a radius of at least 800 million cm. Implications of this model regarding physical conditions near Her X-1 are discussed.

Pravdo, S. H.↗

Electromagnetic duality and D3-brane scattering amplitudes beyond leading order

We use on-shell methods to study the non-supersymmetric and supersymmetric low-energy S-matrix on a probe D3-brane, including both the 1-loop contributions of massless states as well as the effects of higher-derivative operators. Our results include: (1) A derivation of the duality invariance of Born-Infeld electrodynamics as the dimensional oxidation of the group of spatial rotations transverse to a probe M2-brane; this is done using a novel implementation of subtracted on-shell recursion. (2) The first explicit loop-level BCJ double-copy in a non-gravitational model, namely the calculation of the 4-point self-dual amplitude of non-supersymmetric Born-Infeld. (3) From previous results for n-point self-dual 1-loop BI amplitudes and the conjectured dimension-shifting relations in Yang-Mills, we obtain an explicit all-multiplicity, at all orders in E, expression for the 1-loop integrand of the MHV sector of N = 4 DBI. (4) For all n > 4, the explicitly integrated duality-violating 1-loop amplitudes (self-dual and next-to-self-dual in pure BI as well as MHV in N = 4 DBI) are shown to be removable at O(ε 0 ) by adding finite local counterterms; we propose that this may be true more generally at 1-loop order. (5) We find that in non-supersymmetric Born-Infeld, not all finite local counterterms needed to restore electromagnetic duality can be constructed using the double-copy with higher-derivative corrections, suggesting a fundamental tension between electromagnetic duality and color-kinematics duality at loop-level. Finally we comment on oxidation of duality symmetries in supergravity and the parallels it has to the M2-brane to D3-brane oxidation demonstrated in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

All order factorization for virtual Compton scattering at next-to-leading power

We discuss all-order factorization for the virtual Compton process at next-to leading power (NLP) in the Λ QCD /Q and $\sqrt{-t}$/Q expansion (twist-3), both in the double deeply-virtual case and the single-deeply-virtual case. We use the soft-collinear efective theory (SCET) as the main theoretical tool. We conclude that collinear factorization holds in the double-deeply virtual case, where both photons are far of-shell. The agreement is found with the known results for the hard matching coefcients at leading order $α^0_s$, and we can therefore connect the traditional approach with SCET. In the single-deeply-virtual case, commonly called deeply virtual Compton scattering (DVCS), the contribution of non-target collinear regions complicates the factorization. These include momentum modes collinear to the real photon and (ultra)soft interactions between the photon-collinear and target-collinear modes. However, such contributions appear only for the transversely polarized virtual photon at the NLP accuracy and in fact it is the only NLP ~ (Λ QCD /Q) 1 ~ ( $\sqrt{-t}$/Q) 1 contribution in that case. We therefore conclude that the DVCS amplitude for a longitudinally polarized virtual photon, where the leading power ~ (Λ QCD /Q) 0 ~ ($\sqrt{-t}$/Q) 0 contribution vanishes, is free of non-target collinear contributions and the collinear factorization in terms of twist-3 GPDs holds in that case as well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Short-lived Three-Belt Structure for sub-MeV Electrons in the Van Allen Belts: Time Scale and Energy Dependence

In this study we focus on the radiation belt dynamics driven by the geomagnetic storms during September 2017. Besides the long-lasting three-belt structures of ultrarelativistic electrons (>2 MeV, existing for tens of days), which has been studied intensively during the Van Allen Probe era, it is found that magnetospheric electrons of hundreds of keVs can also have three-belt structures at similar L extent during storm time. Measurements of 500–800 keV electrons from MagEIS instrument onboard Van Allen Probes show double-peaked (L = 3.5 and 4.5, respectively) flux-versus-L-shell profile in the outer belt, which lasted for 2–3 days. During the time interval of such transient three-belt structure, the energy-versus-L spectrogram shows novel distributions differing from both “S-shaped” and “V-shaped” spectrograms reported previously. Such peculiar distribution also illustrates the energy-dependent occurrence of the three-belt profile. Furthermore, the gradual formation of “reversed energy spectrum” at L ~ 3.5 also indicates that hiss scattering inside the plasmapause contributed to the fast decay of sub-MeV remnant belt.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical investigation of sound transmission through double wall cylinders with respect to active noise control

Market pressure for more fuel efficient air travel has led to increased use of turboprop and higher bypass turbofan engines. The low frequency components of propeller, jet and boundary layer noise are difficult to attenuate with conventional passive techniques. Weight and geometric restrictions for sound absorbing meterials limit the amount and type of treatment that may be applied. An active noise control (ANC) method is providing to be an attractive alternative. The approach taken in this paper uses a numerical finite/boundary element method (FEM/BEM) that may be easilty adapted to arbitrary geometries. A double walled cylinder is modeled using commercially available software. The outer shell is modeled as an aluminum cylinder, similar to that of aircraft skins. The inner shell is modeled as a composite material representative of a lightweight, stiff trim panel. Two different inner shell materials are used. The first is representative of current trim structure, the second a much stiffer composite. The primary source is generated by an exterior acoustic monopole. Control fields are generated using normal force inputs to the inner cylindrical shell. A linear least mean square (LMS) algorithm is used to determine amplitudes of control forces that minimize the interior acoustic field. Coupling of acoustic and structural modes and noise reductions are discussed for each of the inner shell materials.

Coats, T. J.↗

Novel in-capsule synthesis of metal–organic framework for innovative carbon dioxide capture system

Metal-Organic Frameworks (MOFs) have been developed as solid sorbents for CO2 capture applications and their properties can be controlled by tuning the chemical blocks of their crystalline units. A number of MOFs (e.g., HKUST-1) have been developed but the question remains how to deploy them for gas–solid contact. Unfortunately, the direct use of MOFs as nanocrystals would lead to serious problems and risks. Here, for the first time, we report a novel MOF-based hybrid sorbent that is produced via an innovative in-situ microencapsulated synthesis. Using a custom-made double capillary microfluidic assembly, double emulsions of the MOF precursor solutions and UV-curable silicone shell fluid are produced. Subsequently, HKUST-1 MOF is successfully synthesized within the droplets enclosed in the gas permeable microcapsules. The developed MOF-bearing microcapsules uniquely allow the deployment of functional nanocrystals without the challenge of handling ultrafine particles, and further, can selectively reject undesired compounds to protect encapsulated MOFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elimination of Gibbs' phenomena from error analysis of finite element results

This paper is one of a series on error analysis and correction of finite element solutions for plates and shells. The error analysis in the earlier papers used half-range double Fourier sine series for numerical harmonic analysis. The half-range formulas are simple to apply, but they can be inaccurate near the ends of the ranges of the independent variables. The Gibbs' phenomenon exhibited by half-range sine series in one independent variable has a two-dimensional analog; a classic example is the Navier solution in a double half-range sine series for the simply supported plate under a uniform load. A simple change of variables is introduced in the paper to improve the accuracy of the double Fourier sine series without adding complexity to the numerical analysis. The change of variables is applied to the problem of approximating a transverse load that is tabulated on a rectangular grid. A solution based on the change of variables is compared with results from the Navier solution for the simply supported plate problem and finite element results for the same problem.

Thurston, Gaylen A.↗

Open-Shell Tensor Hypercontraction

The extension of least-squares tensor hypercontracted second- and third-order Møller–Plesset perturbation theory (LS-THC-MP2 and LS-THC-MP3) to open-shell systems is an important development due to the scaling reduction afforded by THC and the ubiquity of molecular ions, radicals, and other open-shell reactive species. The complexity of wavefunction-based quantum-chemical methods such as Møller–Plesset and coupled cluster theory is reflected in the steep scaling of the computational costs with the molecular size. The least-squares tensor hypercontraction (LS-THC) method is an efficient, single-step factorization for the two-electron integral tensor but can also be used to factorize the double excitation amplitudes, leading to significant scaling reduction. Herein we extend this promising method to open-shell variants of LS-THC-MP2 and -MP3 by using diagrammatic techniques and explicit spin summation. The accuracy of the resulting methods for open-shell species is benchmarked on standard test systems such as regular alkanes as well as realistic systems involving bond breaking, radical stabilization, and other effects. We find that open-shell LS-THC-MPn methods exhibit errors highly comparable to those produced by closed-shell LS-THC-MPn and are highly insensitive to particular chemical interactions, geometries, or even moderate spin contamination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-scale structural analysis of swift heavy ion-irradiated ZrO 2 and HfO 2

The radiation-induced monoclinic-to-tetragonal phase transition in ZrO 2 and HfO 2 has been the subject of many investigations, but the transformation pathways and underlying structural mechanisms are still not well understood. In this study, microcrystalline powder samples of ZrO 2 and HfO 2 were irradiated with 946 MeV and 1470 MeV Au ions to a wide fluence range up to 3 × 10 13 ions/cm 2 . To characterize beam-induced structural modifications across all spatial length scales, complementary experimental techniques such as synchrotron X-ray diffraction and spallation neutron total scattering were used. The phase evolution of the tetragonal polymorph with increasing ion fluence is accurately described by a heterogeneous track-overlap model that incorporates both direct- and double-impact processes. These damage accumulation processes are an expression of a core-shell ion track morphology that depends on irradiation conditions and target material. Neutron pair distribution function analysis revealed that ion-beam-induced tetragonal ZrO 2 is merely a configurational average of short-range orthorhombic (Pbcn) domains stabilized by a dense network of domain walls. Furthermore, this knowledge is critical for a better understanding of how crystalline-to-crystalline phase transformations proceed at the atomic scale under extreme conditions.

Monoclinic-to-tetragonal phase transformation↗

Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations

This work introduces various approaches to include connected three-body terms in unitary many-body theories, focusing on the driven similarity renormalization group (DSRG). Starting from the least approximate method—the linearized DSRG truncated to one-, two-, and three-body operators [LDSRG(3)]—we develop several approximate LDSRG(3) models with reduced computational cost. Through a perturbative analysis, we motivate a family of iterative LDSRG(3)-n and -n' (n = 1, 2, 3, 4) methods that contain a subset of the LDSRG(3) diagrams. Among these variants, the LDSRG(3)-2 scheme has the same computational complexity of coupled cluster theory with singles, doubles, and triples (CCSDT), but it outperforms CCSDT in the accuracy of the predicted correlation energies. We also propose and implement two perturbative triples corrections based on the linearized DSRG truncated to one- and two-body operators augmented with recursive semi-quadratic commutators [qDSRG(2)]. Overall, the resulting qDSRG(2)+(T) approach matches the accuracy of the “gold-standard” coupled cluster theory with singles, doubles, and perturbative triples model on the energetics of twenty-eight closed-shell atoms and small molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mass loss from pre-main-sequence accretion disks. I - The accelerating wind of FU Orionis

We present evidence that the wind of the pre-main-sequence object FU Orionis arises from the surface of the luminous accretion disk. A disk wind model calculated assuming radiative equilibrium explains the differential behavior of the observed asymmetric absorption-line profiles. The model predicts that strong lines should be asymmetric and blueshifted, while weak lines should be symmetric and double-peaked due to disk rotation, in agreement with observations. We propose that many blueshifted 'shell' absorption features are not produced in a true shell of material, but rather form in a differentially expanding wind that is rapidly rotating. The inference of rapid rotation supports the proposal that pre-main-sequence disk winds are rotationally driven.

Calvet, Nuria↗

A model of the planetary nebula NGC 2392 determined from velocity observations

High-resolution slit spectra are combined with published photometric and velocity data to develop a model of the double-ring planetary nebula NGC 2392. The inner ring is due to an incomplete, prolate spheroid shell with most of the material concentrated near the minor axis circumference. The spheroid is seen almost pole-on, open at the sharp ends, and the formal velocity of expansion (93 km/s) at the ends is a record high for planetary nebulae. The outer ring is a nearly round spheroid of approximately 16 km/s expansion velocity and a different tilt angle than the inner shell. It is surrounded by rapidly expanding material with velocities of at least 75 km/s. A high-velocity stream of material is formed at the open ends of the inner shell and is accelerated by the central star's stellar wind to velocities of at least + or - 190 km/s, providing the first direct evidence for the kinematic role of a strong stellar wind. The inner shell age is approximately 800 yr, arguing that the shell material was preferentially ejected from the equator of the parent star, in contradiction with the usual predictions of theory.

Odell, C. R.↗

Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics

We report a spin-free formulation of the multireference (MR) driven similarity renormalization group (DSRG) based on the ensemble normal ordering of Mukherjee and Kutzelnigg (1997). This ensemble averages over all microstates of a given total spin quantum number, and therefore, it is invariant with respect to SU(2) transformations. As such, all equations may be reformulated in terms of spin-free quantities and they closely resemble those of spin-adapted closed-shell coupled cluster (CC) theory. The current implementation is used to assess the accuracy of various truncated MR-DSRG methods (perturbation theory up to third order and iterative methods with single and double excitations) in computing the constants of 33 first-row diatomic molecules. The accuracy trends for these first-row diatomics are consistent with our previous benchmark on a small subset of closed-shell diatomic molecules. We then present the first MR-DSRG application on transition-metal complexes by computing the spin splittings of the [Fe(H 2 O) 6 ] 2+ and [Fe(NH 3 ) 6 ] 2+ molecules. A focal point analysis (FPA) shows that third-order perturbative corrections are essential to achieve reasonably converged energetics. The FPA based on the linearized MR-DSRG theory with one- and two-body operators and up to a quintuple- ζ basis set predicts the spin splittings of [Fe(H 2 O) 6 ] 2+ and [Fe(NH 3 ) 6 ] 2+ to be –35.7 and –17.1 kcal mol –1 , respectively, showing good agreement with the results of local CC theory with singles, doubles, and perturbative triples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of NMC estimates with trans-stilbene, EJ-309, and He-3 detection systems

Neutron multiplicity counting (NMC) is a technique for the assay of fissile material. In this work, three detection systems are utilized for active interrogation assay of shells of the Rocky Flats shells (highly enriched uranium, 93% 235U) stacked from 13.25-54.92 kg assemblies. The singles ($R_1$) and doubles ($R_2$) rates are calculated with each system to estimate two sample parameters: $M_L$- the leakage multiplication and F - the sample fission rate. The estimated mass, m, is found by dividing F by a constant activity per unit mass. Since we are interrogating HEU, the α ratio of (α; n) to fission neutrons is taken to be zero. The system of equations to calculate these quantities was originally derived. The Neutron Multiplicity 3 He Array Detector (NOMAD) consists of 15 3 He tubes inside polyethylene and is the traditional, capture-based detection system for NMC. The polyethylene moderates incoming neutrons for thermal capture in individual tubes. The low gamma background, discrete capture signals, and high efficiency of the NOMAD are beneficial for NMC. However, the time to slow down neutrons to thermal energies leads to a system die away time on the scale of microseconds. Comparatively, the Rossi-alpha Measurements – Rapid Organic (n, γ) Discrimination Detector (RAMRODD) and the Organic Scintillator Array (OSCAR) are scatter-based detection systems. RAMRODD consists of 8, 5.08 by 5.08 cm EJ-309 liquid scintillators in 4 pairs, evenly-spaced with 90 degrees separation about the center of each assembly. OSCAR consists of a single array of 12, 5.08 by 5.08 cm trans-stilbene crystals aligned with the center of the assembly. Scatter-based systems detect fast neutrons without any moderation, leading to system die away times on the scale of tens of nanoseconds. This allows much shorter timing gate widths compared to thermal systems, thus increasing counting statistics of true correlated fission events. However, scatter-based systems are susceptible to neutron cross-talk when an incident neutron scatters off one detector and interacts in an adjacent detector, causing two seemingly correlated detection signals. The equations developed adjust for cross-talk to conduct NMC with scatter-based systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗