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At least 1,171 records · Page 65

Predicting the neutrinoless double-β-decay matrix element of 136 Xe using a statistical approach

Calculation of the nuclear matrix elements (NMEs) for double-β decay is of paramount importance for guiding experiments and for analyzing and interpreting the experimental data, especially for the search of the neutrinoless double β decay mode (0v⁢ββ). However, there are currently still large differences between the NME values calculated by different methods, hence a quantification of their uncertainties is very much required. Here, in this paper, we propose a statistical analysis of 0⁢v⁢ββ NME for the 136 Xe isotope, based on the interacting shell model, but using three independent effective Hamiltonians, emphasizing the range of the NMEs' most probable values and its correlations with observables that can be obtained from the existing nuclear data. Consequently, we propose a common probability distribution function for the 0⁢vββ NME, which has a range of (1.55–2.65) at 90% confidence level, with a mean value of 1.99 and a standard deviation of 0.37.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Let Each Quantum Bit Choose Its Basis Gates

Near-term quantum computers are primarily limited by errors in quantum operations (or gates) between two quantum bits (or qubits). A physical machine typically provides a set of basis gates that include primitive 2-qubit (2Q) and 1-qubit (1Q) gates that can be implemented in a given technology. 2Q entangling gates, coupled with some 1Q gates, allow for universal quantum computation. In superconducting technologies, the current state of the art is to implement the same 2Q gate between every pair of qubits (typically an XX-or XY-type gate). This strict hardware uniformity requirement for 2Q gates in a large quantum computer has made scaling up a time and resource-intensive endeavor in the lab. We propose a radical idea – allow the 2Q basis gate(s) to differ between every pair of qubits, selecting the best entangling gates that can be calibrated between given pairs of qubits. This work aims to give quantum scientists the ability to run meaningful algorithms with qubit systems that are not perfectly uniform. Scientists will also be able to use a much broader variety of novel 2Q gates for quantum computing. We develop a theoretical framework for identifying good 2Q basis gates on “nonstandard” Cartan trajectories that deviate from “standard” trajectories like XX. We then introduce practical methods for calibration and compilation with nonstandard 2Q gates, and discuss possible ways to improve the compilation. To demonstrate our methods in a case study, we simulated both standard XY-type trajectories and faster, nonstandard trajectories using an entangling gate architecture with far-detuned transmon qubits. We identify efficient 2Q basis gates on these nonstandard trajectories and use them to compile a number of standard benchmark circuits such as QFT and QAOA. Furthermore, our results demonstrate an 8x improvement over the baseline 2Q gates with respect to speed and coherence-limited gate fidelity.

quantum computing↗

Deep Learning Parameterization of Vertical Wind Velocity Variability via Constrained Adversarial Training

Atmospheric models with typical resolution in the tenths of kilometers cannot resolve the dynamics of air parcel ascent, which varies on scales ranging from tens to hundreds of meters. Small-scale wind fluctuations are thus characterized by a subgrid distribution of vertical wind velocity W with standard deviation σ W . The parameterization of σ W is fundamental to the representation of aerosol–cloud interactions, yet it is poorly constrained. Using a novel deep learning technique, this work develops a new parameterization for σ W merging data from global storm-resolving model simulations, high-frequency retrievals of W , and climate reanalysis products. The parameterization reproduces the observed statistics of σ W and leverages learned physical relations from the model simulations to guide extrapolation beyond the observed domain. Incorporating observational data during the training phase was found to be critical for its performance. The parameterization can be applied online within large-scale atmospheric models, or offline using output from weather forecasting and reanalysis products.

54 ENVIRONMENTAL SCIENCES↗

Galaxy distances and deviations from universal expansion; Proceedings of the NATO Advanced Research Workshop, Kona, HI, Jan. 13-17, 1986

A collection of papers on galaxy distances and deviations from universal expansion is presented. Individual topics addressed include: new results on the distance scale and the Hubble constant, Magellanic Clouds and the distance scale, CCD observations of Cepheids in nearby galaxies, distances using A supergiant stars, infrared calibration of the Cepheid distance scale, two stepping stones to the Hubble constant, physical models of supernovae and the distance scale, 21 cm line widths and distances of spiral galaxies, infrared color-luminosity relations for field galaxies, minimizing the scatter in the Tully-Fisher relation, photometry of galaxies and the local peculiar motion, elliptical galaxies and nonuniformities in the Hubble flow, and large-scale anisotropy in the Hubble flow. Also discussed are: improved distance indicator for elliptical galaxies, anisotropy of galaxies detected by IRAS, the local gravitational field, measurements of the CBR, measure of cosmological times, ages from nuclear cosmochronology, extragalactic gas at high redshift, supercluster infall models, Virgo infall and the mass density of the universe, dynamics of superclusters and Omega(0), distribution of galaxies versus dark matter, peculiar velocities and galaxy formation, cosmological shells and blast waves.

Madore, Barry F.↗

The Challenge of Achieving Site Closure of a Complex Groundwater Plume - 20531

Over the last three decades, DOE has made substantial progress in nearly every area of nuclear waste cleanup and has closed and transitioned 91 of the 107 sites in the EM complex. Several of the remaining groundwater plumes at Hanford, Los Alamos, Paducah, Oak Ridge, and Savannah River are complex and tend to have unique site or contaminant characteristics which provide an almost impossible challenge to remediate to regulatory levels. As a result, these complex sites will require a large investment to remediate. In order for DOE to achieve regulatory closure, a technically sound case must be developed and presented to regulators and stakeholders that clearly demonstrates that remedial goals have been or will be irreversibly achieved or that there is an alternate acceptable end-state. Five lines of evidence are required: - A conceptual site model that is as complete as possible, with the knowledge that it may continue to evolve with time; - Demonstration that trends in contaminant concentrations, or flux, versus time indicate that remedial goals will be achieved on schedule or within a reasonable time thereafter and that trends that deviate from this path are explainable by the conceptual model; - Demonstration that remobilization of attenuated contaminants is unlikely to occur in the future; - Explicit consideration of remedial contingencies, should deviations in the path toward remedial goals occur; - Development of an effective long-term monitoring plan to detect any conditions that might alter the path toward remedial goals. SRS has made significant progress in the remediation of contamination associated with the F-area and H-Area Seepage Basins, and it is currently developing a strategic closure path that addresses each of these lines of evidence and identifies both basic and applied scientific issues that will need to be addressed in order to obtain regulatory closure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Photospheric Current Spikes and Their Possible Association with Flares - Results from an HMI Data Driven Model

A data driven, near photospheric magnetohydrodynamic model predicts spikes in the horizontal current density, and associated resistive heating rate per unit volume Q. The spikes appear as increases by orders of magnitude above background values in neutral line regions (NLRs) of active regions (ARs). The largest spikes typically occur a few hours to a few days prior to M or X flares. The spikes correspond to large vertical derivatives of the horizontal magnetic field. The model takes as input the photospheric magnetic field observed by the Helioseismic & Magnetic Imager (HMI) on the Solar Dynamics Observatory (SDO) satellite. This 2.5 D field is used to determine an analytic expression for a 3 D magnetic field, from which the current density, vector potential, and electric field are computed in every AR pixel for 14 ARs. The field is not assumed to be force-free. The spurious 6, 12, and 24 hour Doppler periods due to SDO orbital motion are filtered out of the time series of the HMI magnetic field for each pixel using a band pass filter. The subset of spikes analyzed at the pixel level are found to occur on HMI and granulation scales of 1 arcsec and 12 minutes. Spikes are found in ARs with and without M or X flares, and outside as well as inside NLRs, but the largest spikes are localized in the NLRs of ARs with M or X flares. The energy to drive the heating associated with the largest current spikes comes from bulk flow kinetic energy, not the electromagnetic field, and the current density is highly non-force free. The results suggest that, in combination with the model, HMI is revealing strong, convection driven, non-force free heating events on granulation scales, and that it is plausible these events are correlated with subsequent M or X flares. More and longer time series need to be analyzed to determine if such a correlation exists. Above an AR dependent threshold value of Q, the number of events N(Q) with heating rates greater than or equal to Q obeys a scale invariant power law distribution for each AR given by N(Q) varies Q(sup -s), where 0.40 less than or equal to S less than or equal to 0.53, with a mean and standard deviation across the 14 ARs of 0.47 and 0.045, showing there is little variation of S from one AR to another. These properties of N(Q) are in close agreement with those of the distribution N(E) for the total energy E of solar flares, determined from observations to be N(E) = constant x E(sup -alpha). From observations of nanoflares in the 0.7 to 4 MK range, and from observations of flares in hard X-rays, it is found that 0.51 less than or equal to alpha less than or equal to 0.57, and 0.4 less than or equal to alpha less than or equal to 0.6, respectively (Crosby et al. 1993, Sol. Phys., 143, 275; Aschwanden & Parnell 2002, ApJ, 572, 1048). Observations also show that, as is found here for the exponent S, there is little variation of alpha with AR (Wheatland 2000, ApJ, 532, 1209), indicating N(E) and N(Q) are largely independent of individual properties of ARs such as area, total magnetic flux, and distribution of current density (i.e. non-potentiality). Therefore the power law scaling of the photospheric heating rate Q computed here on granulation scales is essentially identical to that found for coronal observations of flare energies on scales 1-2 orders of magnitude larger. This suggests the physical mechanisms that cause Q and coronal flares are closely related. It seems likely that Q is the signature of a magnetic reconnection process in an energy range and volume orders of magnitude smaller than those of flares. In this context, at least the larger spikes in Q might be signatures of UV photospheric or lower chromospheric bombs in which plasma is heated to temperatures approximately 10(exp -5) K (Peter et al. 2014, Science 346, 1255726; Judge 2015, ApJ, 808, 116). In addition, lattice based avalanche simulations of flare energy release predict 0.4 less than or equal to alpha less than or equal to 0.5, while analytic, fractal-diffusive self-organized criticality models predict 0.4 less than or equal to alpha less than or equal to 0.67, in excellent agreement with observations, and the results presented here (Aschwanden & Parnell 2002, ApJ, 572, 1048; Aschwanden 2012, A&A, 539, A2; Aschwanden 2013, in "Self Organized Criticality Systems"; Aschwanden et al. 2016, SSR, 198, 47).

Goodman, Michael↗

Acoustic focusing of microplastics in microfabricated and steel tube devices: An experimental study on the effects from particle size and medium density

The contamination of aquatic systems with microplastics is becoming a severe threat to living organisms. Microplastics found in the environment consist of a wide range of particle sizes thus give rise to several challenges to current purification methods. Acoustic focusing has been utilized as a particle concentrating method in biological and non-biological applications. In this study, we investigate the feasibility of using acoustic focusing technology to isolate microplastics in aqueous samples and find that a two-stage mechanism is essential to concentrate microplastics of wide size ranges of the same material. We demonstrate for the first time experimentally that when the particle size is comparable to the resonance wavelength, they deviate from typical pressure nodal focusing and show pressure antinodal focusing. Further, we have expanded microplastics isolation beyond microfluidic systems and demonstrate their extraction capabilities relatively at higher flow rates using microplastics of polystyrene, polyethylene, and polymethyl methacrylate ranging from 6 µm to 300 µm diameter and in devices fabricated with cylindrical steel tubes. We could extract 70% of microplastics smaller than 180 µm and 82% of microplastics greater than 180 µm in diameter from an aqueous sample at a flow rate of 12 mL/min. In conclusion, we demonstrate that small microplastics focus on acoustic pressure nodes regardless of the medium density. However, focusing of large microplastics of the same material depends on the medium density.

42 ENGINEERING↗

Calculation of Nuclear Reactor Cooling Tower Performance With Limited Data Streams

Monitoring of cooling tower performance in a nuclear reactor facility is necessary to ensure safe operation; however, instrumentation for measuring performance characteristics can be difficult to install and may malfunction or break down over long duration experiments. This paper describes employing a thermodynamic approach to quantify cooling tower performance, the Merkel model, which requires only five parameters, namely, inlet water temperature, outlet water temperature, liquid mass flowrate, gas mass flowrate, and wet bulb temperature. Using this model, a general method to determine cooling tower operation for a nuclear reactor was developed in situations when neither the outlet water temperature nor gas mass flowrate are available, the former being a critical piece of information to bound the Merkel integral. Furthermore, when multiple cooling tower cells are used in parallel (as would be in the case of large-scale cooling operations), only the average outlet temperature of the cooling system is used as feedback for fan speed control, increasing the difficulty of obtaining the outlet water temperature for each cell. To address these shortcomings, this paper describes a method to obtain individual cell outlet water temperatures for mechanical forced-air cooling towers via parametric analysis and optimization. In this method, the outlet water temperature for an individual cooling tower cell is acquired as a function of the liquid-to-gas ratio (L/G). Leveraging the tight tolerance on the average outlet water temperature, an error function is generated to describe the deviation of the parameterized L/G to the highly controlled average outlet temperature. The method was able to determine the gas flowrate at rated conditions to be within 3.9% from that obtained from the manufacturer’s specification, while the average error for the four individual cooling cell outlet water temperatures were 1.6 °C, -0.5 °C, -1.0 °C, and 0.3 °C.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Room temperature tensile ductility in powder processed B2 FeAl alloys

It has been shown that it is possible to obtain significant room temperature tensile ductility in FeAl alloys using iron-rich deviations from stoichiometry. A comparison of the room temperature tensile and compressive behaviors of Fe-50 at. pct Al and Fe-40 at. pct Al shows that FeAl is brittle at higher Al contents because it fractures along grain boundaries before general yielding. Lower aluminum contents reduce the yield stress substantially and hence some ductility is observed before fracture. Addition of boron results in measurable improvements in ductility of Fe-40 at. pct Al and is accompanied by an increase in transgranular tearing on the fracture surface, suggesting a grain boundary strengthening mechanism. Increasing the cooling rate following annealing at 1273 K results in a large increase in the yield strength and a corresponding decrease in ductility.

Crimp, M. A.↗

The near-infrared Tully-Fisher relation - A preliminary study of the Coma and Abell 400 clusters

We have started a large project to study the NIR Tully-Fisher (TF) relation using H- and I-band surface photometry of spiral galaxies. A preliminary study of 20 spirals in the Coma and Abell 400 clusters is presented. The NIR images have been used to derive accurate inclinations and total magnitudes, and rotational linewidths are measured from high-quality 21-cm Arecibo data. The scatter in the Coma TF plot is found to be 0.19 mag in the H band and 0.20 mag in the I band for a set of 13 galaxies, if we assume that they are all at the same distance. The deviation of the Coma galaxies from the best-fit Tully-Fisher relation is correlated with their redshift, indicating that some of the galaxies are not bound to the cluster. Indeed, if we treat all the galaxies in the Coma sample as undergoing free Hubble expansion, the TF scatter drops to 0.12 and 0.13 mag for the H- and I-band datasets, respectively. The Abell 400 sample is best fit by a common distance model, yielding a scatter of 0.12 mag for seven galaxies in H using a fixed TF slope. We are in the process of studying cluster and field spirals out to about 10,000 km/s in order to calibrate the NIR TF relation and will apply it to more nearby galaxies to measure the peculiar velocity field in the local universe.

Guhathakurta, Puragra↗

Spectroscopy of the first resolved strongly lensed Type Ia supernova iPTF16geu

We report the results from spectroscopic observations of the multiple images of the strongly lensed Type Ia supernova (SN Ia), iPTF16geu, obtained with ground-based telescopes and the Hubble Space Telescope (HST). From a single epoch of slitless spectroscopy with HST, we resolve spectra of individual lensed supernova images for the first time. This allows us to perform an independent measurement of the time-delay between the two brightest images, Δt = 1.4 ± 5.0 d, which is consistent with the time-delay measured from the light curves. We also present measurements of narrow emission and absorption lines characterizing the interstellar medium in the SN Ia host galaxy at z = 0.4087, as well as in the foreground lensing galaxy at z = 0.2163. We detect strong Na ID absorption in the host galaxy, indicating that iPTF16geu belongs to a subclass of SNe Ia displaying ‘anomalously’ large Na ID column densities compared to dust extinction derived from light curves. For the lens galaxy, we refine the measurement of the velocity dispersion, σ = 129 ± 4 km/s, which significantly constrains the lens model. We use ground-based spectroscopy, boosted by a factor ∼70 from lensing magnification, to study the properties of a high-z SN Ia with unprecedented signal-to-noise ratio. The spectral properties of the supernova, such as pseudo-Equivalent widths of several absorption features and velocities of the Si II-line, indicate that iPTF16geu is a normal SN Ia. We do not detect any significant deviations of the SN spectral energy distribution from microlensing of the SN photosphere by stars and compact objects in the lensing galaxy.

J Johansson↗

Large-scale Gulf Stream frontal study using GEOS 3 radar altimeter data

From data obtained by the GEOS 3 radar altimeter, sea surface heights are found by both editing and filtering the raw sea surface height measurements and then referencing these processed data to a 5 foot by 5 foot geoid. Any trend between the processed data and the geoid is removed by subtracting out a linear fit to the residuals in the open ocean. Data from individual passes are further processed by applying a minimum variance technique at the subsatellite crossing points to produce surface topography maps for the 6 months and an overall mean map which reveal important details about the Gulf Stream system. The differences between the monthly mean and the overall mean are calculated for each of the 6 months to show the temporal and spatial changes of the Gulf Stream front and spawned eddies. The standard deviation map is even more informative and shows preferred locations of Gulf Stream meanders.

Huang, N. E.↗

Phylogenetic structure of specialization: A new approach that integrates partner availability and phylogenetic diversity to quantify biotic specialization in ecological networks

Abstract Biotic specialization holds information about the assembly, evolution, and stability of biological communities. Partner availabilities can play an important role in enabling species interactions, where uneven partner availabilities can bias estimates of biotic specialization when using phylogenetic diversity indices. It is therefore important to account for partner availability when characterizing biotic specialization using phylogenies. We developed an index, phylogenetic structure of specialization (PSS), that avoids bias from uneven partner availabilities by uncoupling the null models for interaction frequency and phylogenetic distance. We incorporate the deviation between observed and random interaction frequencies as weights into the calculation of partner phylogenetic α‐diversity. To calculate the PSS index, we then compare observed partner phylogenetic α‐diversity to a null distribution generated by randomizing phylogenetic distances among the same number of partners. PSS quantifies the phylogenetic structure (i.e., clustered, overdispersed, or random) of the partners of a focal species. We show with simulations that the PSS index is not correlated with network properties, which allows comparisons across multiple systems. We also implemented PSS on empirical networks of host–parasite, avian seed‐dispersal, lichenized fungi–cyanobacteria, and hummingbird pollination interactions. Across these systems, a large proportion of taxa interact with phylogenetically random partners according to PSS, sometimes to a larger extent than detected with an existing method that does not account for partner availability. We also found that many taxa interact with phylogenetically clustered partners, while taxa with overdispersed partners were rare. We argue that species with phylogenetically overdispersed partners have often been misinterpreted as generalists when they should be considered specialists. Our results highlight the important role of randomness in shaping interaction networks, even in highly intimate symbioses, and provide a much‐needed quantitative framework to assess the role that evolutionary history and symbiotic specialization play in shaping patterns of biodiversity. PSS is available as an R package at https://github.com/cjpardodelahoz/pss .

59 BASIC BIOLOGICAL SCIENCES↗

Search for heavy resonances in final states with four leptons and missing transverse momentum or jets in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for a new heavy boson produced via gluon-fusion in the four-lepton channel with missing transverse momentum or jets is performed. The search uses proton-proton collision data equivalent to an integrated luminosity of 139 fb -1 at a centre-of-mass energy of 13 TeV collected by the ATLAS detector between 2015 and 2018 at the Large Hadron Collider. This study explores the decays of heavy bosons: R → SH and A → ZH, where R is a CP-even boson, A is a CP-odd boson, H is a CP-even boson, and S is considered to decay into invisible particles that are candidates for dark matter. In these processes, S → invisible and H → ZZ. The Z boson associated with the heavy scalar boson H decays into all decay channels of the Z boson. The mass range under consideration is 390–1300 (320–1300) GeV for the R (A) boson and 220–1000 GeV for the H boson. No significant deviation from the Standard Model backgrounds is observed. The results are interpreted as upper limits at a 95% confidence level on the cross-section times the branching ratio of the heavy resonances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Detailed study of quark-hadron duality in spin structure functions of the proton and neutron

Background: The response of hadrons, the bound states of the strong force (QCD), to external probes can be described in two different, complementary frameworks: as direct interactions with their fundamental constituents, quarks and gluons, or alternatively as elastic or inelastic coherent scattering that leaves the hadrons in their ground state or in one of their excited (resonance) states. The former picture emerges most clearly in hard processes with high momentum transfer, where the hadron response can be described by the perturbative expansion of QCD, while at lower energy and momentum transfers, the resonant excitations of the hadrons dominate the cross section. The overlap region between these two pictures, where both yield similar predictions, is referred to as quark-hadron duality and has been extensively studied in reactions involving unpolarized hadrons. Some limited information on this phenomenon also exists for polarized protons, deuterons, and 3 He nuclei, but not yet for neutrons. Purpose: In this paper, we present comprehensive and detailed results on the correspondence between the extrapolated deep inelastic structure function g 1 of both the proton and the neutron with the same quantity measured in the nucleon resonance region. Thanks to the fine binning and high precision of our data, and using a well-controlled perturbative QCD (pQCD) fit for the partonic prediction, we can make quantitative statements about the kinematic range of applicability of both local duality and global duality. Method: We use the most updated QCD global analysis results at high x from the Jefferson Lab Angular Momentum Collaboration to extrapolate the spin structure function g 1 into the nucleon resonance region and then integrate over various intervals in the scaling variable x. We compare the results with the large data set collected in the quark-hadron transition region by the CLAS Collaboration, including, for the first time, deconvoluted neutron data, integrated over the same intervals. We present this comparison as a function of the momentum transfer Q 2 . Results: We find that, depending on the integration interval and the minimum momentum transfer chosen, a clear transition to quark-hadron duality can be observed in both nucleon species. Furthermore, we show, for the first time, the approach to scaling behavior for g 1 measured in the resonance region at sufficiently high momentum transfer. Conclusions: Here, our results can be used to quantify the deviations from the applicability of pQCD for data taken at moderate energies and can help with extraction of quark distribution functions from such data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

How Do Uncertainties in Galaxy Formation Physics Impact Field-level Galaxy Bias?

Our ability to extract cosmological information from galaxy surveys is limited by uncertainties in the galaxy–dark matter halo relationship for a given galaxy population, which are governed by the intricacies of galaxy formation. To quantify these uncertainties, we examine quenched and star-forming galaxies using two distinct approaches to modeling galaxy formation: U$\scriptsize{NIVERSE}$M$\scriptsize{ACHINE}$, an empirical semianalytic model, and the I$\scriptsize{llustris}$TNG hydrodynamical simulation. We apply a second-order hybrid N-body perturbative bias expansion to each galaxy sample, enabling direct comparison of modeling approaches and revealing how uncertainties in the galaxy–halo connection affect bias parameters and non-Poisson noise across number densities and redshifts. Notably, we find that quenched and star-forming galaxies occupy distinct parts of the bias parameter space, and that the scatter induced from these different galaxy formation models is small when conditioned on similar selections of galaxies. We also detect the signature of assembly bias in our samples; this leads to small but significant deviations from analytic bias predictions, while assembly bias-removed samples match these predictions well. This work indicates that galaxy samples from a spectrum of reasonable, physically motivated models for galaxy formation give a relatively small range of field-level galaxy bias parameters. We estimate a set of priors from these models that should be useful in extracting cosmological constraints from luminous red galaxy– and emission line galaxy–like samples. Looking forward, careful estimates of the range of impacts of galaxy formation, for a given sample and cosmological analysis, will be an essential ingredient for extracting the most precise cosmological information from current and future large galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Hyperfine-to-rotational energy transfer in ultracold atom–molecule collisions of Rb and KRb

Energy transfer between different mechanical degrees of freedom in atom–molecule collisions has been studied and largely understood. However, systems involving spins remain less explored. Here, in this study, we directly observed energy transfer from atomic hyperfine to molecular rotation in the 87 Rb ($| {F}_{a},{M}_{{F}_{a}}\rangle =| 2,2\rangle$) + 40 K 87 Rb (X 1 Σ + , rotational state N = 0) ⟶ Rb ($| 1,1\rangle$) + KRb ( N = 0, 1, 2) collision with state-to-state precision. We also performed quantum scattering calculations that rigorously included the coupling between spin and rotational degrees of freedom at short range under the assumption of rigid-rotor KRb monomers moving along a single potential energy surface. The calculated product rotational state distribution deviates from the observations even after extensive tuning of the atom–molecule potential energy surface. In addition, our ab initio calculations indicate that spin–rotation coupling is enhanced close to a conical intersection that is energetically accessible at short range. This, together with the deviation, suggests that vibrational degrees of freedom and conical intersections play an important part in the coupling. Our observations confirm that spin is coupled to mechanical rotation at short range and establish a benchmark for future theoretical studies.

chemical physics↗

Enhancement of thickness uniformity of thin films grown by pulsed laser deposition

A peculiarity of the pulsed laser deposition technique of thin-film growth which limits its applicability is the very rapid drop of resulting film thickness as a function of distance from the deposition axis. This is due to the narrow forward peaking of the emission plume characteristic of the laser ablation process. The plume is usually modeled by a cos(sup n) theta function with n greater, and in some cases, much higher, than 1. Based on this behavior, a method is presented to substantially enhance coverage uniformity in substrate zones of the order of the target-substrate distance h, and to within a specified thickness tolerance. Essentially, target irradiation is caused to form an annular emission source instead of the usual spot. By calculating the resulting thickness profiles, an optimum radius s is found for the annular source, corresponding to a given power in the emission characteristic and a given value of h. The radius of this annulus scales with h. Calculated numerical results for optimal s/h ratios corresponding to a wide range of values for n are provided for the case of +/- 1% tolerance in deviation from the thickness at deposition axis. Manners of producing annular illumination of the target by means of conic optics are presented for the case of a laser beam with radially symmetric profile. The region of uniform coverage at the substrate can be further augmented by extension of the method to multiple concentric annular sources. By using a conic optic of novel design, it is shown also how a single-laser beam can be focused onto a target in the required manner. Applicability of the method would be limited in practice by the available laser power. On the other hand, the effective emitting area can be large, which favors extremely high growth rates, and since growth can occur uniformly over the whole substrate for each laser pulse, single-shot depositions with substantial thicknesses are possible. In addition, the simultaneity of growth over the complete substrate is desirable when monitoring the growth in situ.

Fernandez, Felix E.↗