On Probabilities of Moderate Deviations of Empirical Measures for Contiguous Distributions
The large deviation principle for moderate deviation probabilities of empirical measures for contiguous distributions is proved.
97 MATHEMATICS AND COMPUTING↗
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Moderate Deviations for the Langevin Equation with Strong Damping
In this paper, we establish a moderate deviation principle for the Langevin dynamics with strong damping. The weak convergence approach plays an important role in the proof.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Anscombe-type theorem and moderate deviations for trajectories of a compound renewal process
An Anscombe-type theorem for the large deviations principle for trajectories of a random process is proved. As a consequence, the moderate deviations principle for the compound renewal processes is obtained.
97 MATHEMATICS AND COMPUTING↗
Moderate deviation and restricted equivalence functions for measuring similarity between data
Not Available
Altalhi, A. H. (ORCID:0000000323351164)↗
Moderate deviations-based importance sampling for stochastic recursive equations
Subsolutions to the Hamilton–Jacobi–Bellman equation associated with a moderate deviations approximation are used to design importance sampling changes of measure for stochastic recursive equations. Analogous to what has been done for large deviations subsolution-based importance sampling, these schemes are shown to be asymptotically optimal under the moderate deviations scaling. Here, we present various implementations and numerical results to contrast their performance, and also discuss the circumstances under which a moderate deviation scaling might be appropriate.
97 MATHEMATICS AND COMPUTING↗
CA-ResidueRetentionAssumptionsBT16-BaseCase
As part of the Billion Ton resource assessment projections created in 2016 (see https://www.energy.gov/sites/prod/files/2016/12/f34/2016_billion_ton_report_12.2.16_0.pdf, DOI: 10.2172/1435342) -henceforth "BT16", this dataset was used as an assumption to limit the availability of residues under a "base-case" scenario (BC1). Crop residues that had this assumption applied include corn stover, cereal (wheat, oats, and barley) straws, and sorghum stubble. What is the purpose of the data set? Why were the data collected? Per request for use in subsequent research, we have summarized assumptions for California only and selected years (2020, 2030, 2040) that were used in the BT16's base-case projections for agricultural residues and have provided details by tillage class that limited residue availability for harvest (dry tons of residues that must remain). Note: '10' is a high number that assures that no residue harvested could occur. Note: Tillage classification assumptions are also of importance: a low flexibility was applied, allowing a moderate deviation from a baseline situation (using historic CTIC data on tillage type used in counties for each crop). A moderate flexibility, allows farmers to put land into another tillage type (no till, conservation till, and reduced till) where a higher net present value was calculated. This dataset includes all allowable tillage types by crop, but each tillage type may not have occurred in BT16 simulations.
Davis, Maggie↗
stovertillage2019-bc1040-060
As part of the Billion Ton resource assessment projections created in 2016 (see https://www.energy.gov/sites/prod/files/2016/12/f34/2016_billion_ton_rep...), this dataset was produced and titled a "base-case" scenario. This broader dataset provided an updated assessment of the potential economic availability of biomass resources from agricultural lands reported at the farmgate under conservative assumptions. Crop residues quantified in this dataset include corn stover, cereal (wheat, oats, and barley) straws, and sorghum stubble. We have isolated corn stover in this dataset. What is the purpose of the data set? Why were the data collected?* Per request for use in subsequent research, we have isolated corn stover in 2019 from the broader base-case projections and have provided tillage classification details from this projection. Tillage classification assumptions in this scenario allow a moderate deviation from a baseline situation (using historic CTIC data on tillage type used in counties for each crop). This dataset allowed moderate flexibility of farmers to put land into another tillage type (no till, conservation till, and reduced till) where a higher net present value was calculated.
Davis, Maggie R.↗
Pseudoatom molecular dynamics plasma microfields
Spectral lines are powerful diagnostic tools for both laboratory and astrophysical plasmas, as their shape is sensitive to the plasma environment. The low-frequency component of the electric microfield is an important input for semi-analytic line broadening codes. Here, in this paper, we detail a new method of calculating plasma microfields using configuration-resolved pseudoatom molecular dynamics. This approach accounts for both quantum atomic structure and N-body effects, similar to density functional theory molecular dynamics, but with less computational cost. We present pseudoatom microfields at plasma conditions relevant for recent high energy density laboratory astrophysics experiments conducted at the Sandia Z-Machine, National Ignition Facility, and Linac Coherent Light Source. Compared to established microfield codes we find moderate deviations at solid density conditions and strong agreement at lower plasma densities.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Visualization of fast ion phase-space flow in plasmas well-below, near and well-above Alfvén eigenmode stability threshold in tokamak
Abstract Transport of fast ions along certain local phase space paths, referred to as fast ion phase-space flow, has been systematically measured by an imaging neutral particle analyzer (INPA) in three plasma regimes, which are well-below, near, and well-above the Alfvén eigenmode stability threshold (Du et al 2021 Phys. Rev. Lett. 127 235002). (1) In plasmas well-below the Alfvén eignenmodes (AE) stability threshold, fast ions are well-confined on passing particle orbits without noticeable transport over the phase space. The observed INPA images agree well with the synthetic INPA images, using the fast ion distribution predicted by neoclassical theory. (2) In plasmas near the AE stability threshold, INPA images in the presence of AE activity moderately deviate from those without AE activity. The image difference can be well interpreted by AE-driven, phase-space fast ion flow. Paths of this flow over the velocity space (or streamlines) are reconstructed by the intersection lines of curved E ʹ and µ surfaces, referred to as E ʹ and µ line (where E ′ ≡ E − ( ω / n ) P ζ ; E , P ζ and µ are the energy, canonical toroidal momentum and magnetic moment of ions; ω and n are the angular frequency and toroidal mode number of AEs, respectively). Resonant fast ions move radially inward by gaining energy and move radially outward by losing energy and the trajectory well aligns with the E ʹ and µ lines that pass through the mode resonances near the injection energy of neutral beams. (3) In plasmas well-above the AE stability threshold, fast ion phase-space dynamics shows additional features. Fast ions are transported out of the birth positions so promptly along the streamlines that the slowing-down process from the injection energy is not observable, exhibiting strong critical gradient behavior at local phase space. As a result, the increase of electron temperature is very small, in spite of an increase of beam power by ∼ 45 % . It should be emphasized that the directions of phase-space transport, induced by AEs with different frequencies, structures and mode numbers, do not largely differ.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Dark Energy Survey Year 3 results: Imprints of cosmic voids and superclusters in the Planck CMB lensing map
ABSTRACT The CMB lensing signal from cosmic voids and superclusters probes the growth of structure in the low-redshift cosmic web. In this analysis, we cross-correlated the Planck CMB lensing map with voids detected in the Dark Energy Survey Year 3 (Y3) data set (∼5000 deg2), expanding on previous measurements that used Y1 catalogues (∼1300 deg2). Given the increased statistical power compared to Y1 data, we report a 6.6σ detection of negative CMB convergence (κ) imprints using approximately 3600 voids detected from a redMaGiC luminous red galaxy sample. However, the measured signal is lower than expected from the MICE N-body simulation that is based on the ΛCDM model (parameters Ωm = 0.25, σ8 = 0.8), and the discrepancy is associated mostly with the void centre region. Considering the full void lensing profile, we fit an amplitude $A_{\kappa }=\kappa _{{\rm DES}}/\kappa _{{\rm MICE}}$ to a simulation-based template with fixed shape and found a moderate 2σ deviation in the signal with Aκ ≈ 0.79 ± 0.12. We also examined the WebSky simulation that is based on a Planck 2018 ΛCDM cosmology, but the results were even less consistent given the slightly higher matter density fluctuations than in MICE. We then identified superclusters in the DES and the MICE catalogues, and detected their imprints at the 8.4σ level; again with a lower-than-expected Aκ = 0.84 ± 0.10 amplitude. The combination of voids and superclusters yields a 10.3σ detection with an Aκ = 0.82 ± 0.08 constraint on the CMB lensing amplitude, thus the overall signal is 2.3σ weaker than expected from MICE.
79 ASTRONOMY AND ASTROPHYSICS↗
Search for heavy Higgs bosons decaying to a top quark pair in proton-proton collisions at $ \sqrt{s} $ = 13 TeV
A search is presented for additional scalar (H) or pseudoscalar (A) Higgs bosons decaying to a top quark pair in proton-proton collisions at a center-of-mass energy of 13 TeV. The data set analyzed corresponds to an integrated luminosity of 35.9 fb$^{-1}$ collected by the CMS experiment at the LHC. Final states with one or two charged leptons are considered. The invariant mass of the reconstructed top quark pair system and variables that are sensitive to the spin of the particles decaying into the top quark pair are used to search for signatures of the H or A bosons. The interference with the standard model top quark pair background is taken into account. A moderate signal-like deviation compatible with an A boson with a mass of 400 GeV is observed with a global significance of 1.9 standard deviations. New stringent constraints are reported on the strength of the coupling of the hypothetical bosons to the top quark, with the mass of the bosons ranging from 400 to 750 GeV and their total relative width from 0.5 to 25%. The results of the search are also interpreted in a minimal supersymmetric standard model scenario. Values of $m_\mathrm{A}$ from 400 to 700 GeV are probed, and a region with values of $\tan\beta$ below 1.0 to 1.5, depending on $m_\mathrm{A}$, is excluded at 95% confidence level.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Design and evaluation of a low-cost sensor node for near-background methane measurement
Abstract. We developed a low-cost methane sensing node incorporating two metal oxide (MOx) sensors (Figaro Engineering TGS2611-E00 and TGS2600), humidity and temperature sensing, data storage, and telemetry. We deployed the prototype sensor alongside a reference methane analyzer at two sites: one outdoors and one indoors. We collected data at each site for several months across a range of environmental conditions (particularly temperature and humidity) and methane levels. We explored calibration models to investigate the performance of our system and its suitability for methane background monitoring and enhancement detection, first selecting a linear regression to fit a sensor baseline response and then fitting methane response by the sensor deviation from baseline. We achieved moderate accuracy in a 2 to 10 ppm methane range compared to data from the reference analyzer (RMSE < 0.6 ppm), but we found that the sensor response varied over time, possibly as a result of changes in non-targeted gas concentrations. We suggest that this cross sensitivity may be responsible for mixed results in previous studies. We discuss the implications of our results for the use of these and similar inexpensive MOx sensors for methane monitoring in the 2 to 10 ppm range.
Furuta, Daniel↗
Coupled Target-Beam-Moderator Optimization for the Second Target Station
This report describes the results for a coupled target-beam-moderator optimization analysis for the Second Target Station (STS) at ORNL's Spallation Neutron Source. This study is a continuation of the optimization analysis for the moderators in the preliminary design of STS performed in 2022. In the 2022 analysis the dimensions of the moderators are parameterized, while the target and the proton beam profile are kept constant. In this analysis the target height and the proton beam profile are added as parameters. This allows to study the coupled effects of changing target, moderator and beam dimensions. Similar to the 2022 analysis, this work is performed with an automated optimization workflow that uses the optimization toolbox DAKOTA, parameterized geometries in CREO and SpaceClaim, the unstructured mesh generation in Attila4MC, and the particle transport code MCNP6.2©. This workflow enables an efficient optimization using high-fidelity geometries. The main conclusions of this analysis are the following: • Coupled beam-target-moderator optimization provides a few additional percent performance gain over stand-alone moderator optimization. • The moderator performance is not very sensitive to the target height (between ≈60 and ≈80 mm) as long as the beam profile is chosen adequately. • The moderator performance is sensitive to the choice of beam spatial standard deviations, even when the footprint is kept constant. • The optimal moderator radius is the same for a beam footprint of 30 cm 2 , 62.5 cm 2 , and 90 cm 2 . Also the slope of the super-gaussian beam profile does not significantly impact the optimal moderator radius. • The optimal parameters and sensitivities are very similar to the 2022 optimization analysis. These results only indicate a a difference in the optimal radius of the cylindrical moderator, however, this has been corrected in the final design moderator optimization. The main purpose of this report is to document the simulations, results and lessons learned. The most impactful results are summarized in. We also note that the target geometry used in this work is not the final design.
43 PARTICLE ACCELERATORS↗
The Interior Angular Momentum of Core Hydrogen Burning Stars from Gravity-mode Oscillations
A major uncertainty in the theory of stellar evolution is the angular momentum distribution inside stars and its change during stellar life. We compose a sample of 67 stars in the core hydrogen burning phase with a log g value from high-resolution spectroscopy, as well as an asteroseismic estimate of the near-core rotation rate derived from gravity-mode oscillations detected in space photometry. This assembly includes 8 B-type stars and 59 AF-type stars, covering a mass range from 1.4 to 5 M {sub ⊙}, i.e., it concerns intermediate-mass stars born with a well-developed convective core. The sample covers projected surface rotation velocities vsin i∈[9,242] km s{sup −1} and core rotation rates up to 26 μHz, which corresponds to 50% of the critical rotation frequency. We find deviations from rigid rotation to be moderate in the single stars of this sample. We place the near-core rotation rates in an evolutionary context and find that the core rotation must drop drastically before or during the short phase between the end of the core hydrogen burning and the onset of core helium burning. We compute the spin parameter, which is the ratio of twice the rotation rate to the mode frequency (also known as the inverse Rossby number), for 1682 gravity modes and find the majority (95%) to occur in the sub-inertial regime. The 10 stars with Rossby modes have spin parameters between 14 and 30, while the gravito-inertial modes cover the range from 1 to 15.
79 ASTRONOMY AND ASTROPHYSICS↗
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↗
Dipole Moment Calculations Using Multiconfiguration Pair-Density Functional Theory and Hybrid Multiconfiguration Pair-Density Functional Theory
The dipole moment is the molecular property that most directly indicates molecular polarity. The accuracy of computed dipole moments depends strongly on the quality of the calculated electron density, and the breakdown of single-reference methods for strongly correlated systems can lead to poor predictions of the dipole moments in those cases. Here, we derive the analytical expression for obtaining the electric dipole moment by multiconfiguration pair density functional theory (MCPDFT), and we assess the accuracy of MC-PDFT for predicting dipole moments at equilibrium and nonequilibrium geometries. We show that MC-PDFT dipole moment curves have reasonable behavior even for stretched geometries, and they significantly improve upon the CASSCF results by capturing more electron correlation. Herein, the analysis of a dataset consisting of 18 first-row transition metal diatomics and 6 main-group polyatomic molecules with multireference character suggests that MC-PDFT and its hybrid extension (HMC-PDFT) perform comparably to CASPT2 and MRCISD+Q methods and have a mean unsigned deviation of 0.2–0.3 D with respect to the best available dipole moment reference values. We explored the dependence of the predicted dipole moments upon the choice of the on-top density functional and active space, and we recommend the tPBE and hybrid tPBE0 on-top choices for the functionals combined with the moderate correlated participating orbital scheme for selecting the active space. With these choices, the mean unsigned deviations (in debyes) of the calculated equilibrium dipole moments from the best estimates are 0.77 for CASSCF, 0.29 for MC-PDFT, 0.24 for HMCPDFT, 0.28 for CASPT2, and 0.25 for MRCISD+Q. These results are encouraging because the computational cost of MC-PDFT or HMC-PDFT is largely reduced compared to the CASPT2 and MRCISD+Q methods.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Interlaboratory Study of Digital Volume Correlation Error Due to X-Ray Computed Tomography Equipment and Scan Parameters: an Update from the DVC Challenge
Background: The quality of Digital Volume Correlation (DVC) full-field displacement measurements depends directly on the characteristics of the X-ray Computed Tomography (XCT) equipment, and scan procedures used to acquire the tomographic images. Objective: In this work, we seek to experimentally study the effects of XCT equipment and tomographic scan procedures on the quality of these images for DVC analysis, and to survey the level of DVC error that may be achieved using standard XCT operating procedures. Methods: Six participants in an interlaboratory study acquired high-quality XCT scans of a syntactic foam before and after rigid body motion. The resulting images were correlated using commercial DVC software to quantify error sources due to random image noise, reconstruction artifacts, as well as systematic spatial or temporal distortion. Results: In the absence of rigid body motion, the standard deviation of the displacement measurements ranged from 0.012 to 0.043 voxels using a moderate subvolume size, indicating that subvoxel measurement resolution could readily be achieved with a variety of XCT equipment and scan recipes. Comparison of consecutive scans without rigid body motion showed transient dilatational displacement gradients due to self-heating of the X-ray source and/or thermal expansion of the foam. Evaluation of the scans after rigid body motion showed significant, machine-specific spatial distortion in the displacement fields of up to 0.5 voxels; new approaches to remove this error need to be developed. Conclusions: Analysis of the scan protocols used in the interlaboratory study, as well as a complementary parametric sensitivity study, showed that the DVC error was strongly influenced by the XCT equipment, but could be mitigated by adjusting the total scan duration.
47 OTHER INSTRUMENTATION↗
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.
36 MATERIALS SCIENCE↗