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DOE OSTI2026

Full-stack Quantification of Variability in Predicting Ion Transport Properties using Machine-learned Interatomic Potentials

Machine-learned interatomic potentials (MLIPs) have become the state-of-the-art for performing accurate, scalable molecular dynamics (MD) simulations. It is therefore crucial to understand and quantify the reliability of MLIPs for downstream property predictions. Uncertainty in predicted properties can arise from limitations in first-principles training data, intrinsic MLIP model errors in representing the data, and the statistical noise introduced during subsequent MD simulations. Using ion transport in Li7P3S11 as a case study, we systematically assess the impact of training set size and selection, neural network stochasticity, and MD sampling statistics on predicted diffusivity and activation energy. We find that when using equivariant MLIP architectures with standard MD protocols, uncertainty arising from MD sampling dominates over model-induced errors. In contrast, MLIP errors relative to the underlying first-principles data are consistently minor. Given this, there are two main routes to improving the accuracy of predictions based on MLIP potentials: adopting higher accuracy reference data generation methods, and improving the MD sampling statistics.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Analysis framework for systematically studying ionospheric response to impulsive events from below: Analysis Framework Ionospheric Responses

We present that impulsive phenomena in the Earth's atmosphere produce acoustic and gravity waves which perturb the ionosphere. Such perturbations are often measured using total electron content fluctuations (TEC), derived from ground-based Global Positioning System data. Using TEC data from the Japanese GEONET ground network after the Tōhoku earthquake on 11 March 2011, we demonstrate capabilities of a new framework of methodologies for analyzing ionospheric perturbations. The framework consists of several new techniques: calculating velocity along a single direction to reduce error due to anisotropic propagation, producing normalized bidirectional band-pass spectra that preserve relative timing between various frequencies and allowing a more systematic determination of broadband pulses, and utilizing a wavelet-based technique that considers instantaneous wave phase changes, rather than best fit time differences, to evaluate wave characteristics (speed, direction, and wavelength) within spectral ranges of interest. Using these techniques together decreases subjectivity and reduces errors in attributing fluctuations to given sources. In validating this framework using the Tōhoku case, we consistently identify three kinds of waves: a broad-band pulse (speed: >2000 m/s, max range: >1400 km) arriving in the ionosphere 10–15 min after the quake, acoustic waves following the pulse (period: 3–5 min, speed: 700–1000 m/s, max range: <500 km), and gravity waves (period: 10–15 min, speed: 150–500 m/s, max range: >1400 km) propagating away from the epicenter, consistent with theory and demonstrated in previous studies. Lastly, this framework also can be applied to other impulsive events in the atmosphere that are more difficult to detect and attribute to sources.

58 GEOSCIENCES↗

DOE OSTI2023

A general framework for removing point-spread function additive systematics in cosmological weak lensing analysis

ABSTRACT Cosmological weak lensing measurements rely on a precise measurement of the shear two-point correlation function (2PCF) along with a deep understanding of systematics that affect it. In this work, we demonstrate a general framework for detecting and modelling the impact of PSF systematics on the cosmic shear 2PCF and mitigating its impact on cosmological analysis. Our framework can detect PSF leakage and modelling error from all spin-2 quantities contributed by the PSF second and higher moments, rather than just the second moments, using the cross-correlations between galaxy shapes and PSF moments. We interpret null tests using the HSC Year 3 (Y3) catalogs with this formalism and find that leakage from the spin-2 combination of PSF fourth moments is the leading contributor to additive shear systematics, with total contamination that is an order-of-magnitude higher than that contributed by PSF second moments alone. We conducted a mock cosmic shear analysis for HSC Y3 and find that, if uncorrected, PSF systematics can bias the cosmological parameters Ωm and S8 by ∼0.3σ. The traditional second moment-based model can only correct for a 0.1σ bias, leaving the contamination largely uncorrected. We conclude it is necessary to model both PSF second and fourth moment contaminations for HSC Y3 cosmic shear analysis. We also reanalyse the HSC Y1 cosmic shear analysis with our updated systematics model and identify a 0.07σ bias on Ωm when using the more restricted second moment model from the original analysis. We demonstrate how to self-consistently use the method in both real space and Fourier space, assess shear systematics in tomographic bins, and test for PSF model overfitting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Large-momentum effective theory’s asymptotic extrapolation vs the inverse problem

Large-momentum effective theory is a physics-guided systematic expansion to calculate light-cone parton distributions, including collinear (PDFs) and transverse-momentum-dependent ones, at any fixed momentum fraction 𝑥 within a range of [𝑥 min , 𝑥 max ]. It theoretically solves the ill-posed inverse problem that afflicts other theoretical approaches to collinear PDFs, such as short-distance factorizations. Recently, Dutrieux et al. raised practical concerns about whether current or even future lattice data will have sufficient precision in the subasymptotic correlation region to support an error-controlled extrapolation—and if not, whether it becomes an inverse problem where the relevant uncertainties cannot be properly quantified. While we agree that not all current lattice data have the desired precision to qualify for an asymptotic extrapolation, some calculations do, and more are expected in the future. We comment on the analysis and results in Dutrieux et al. and argue that a physics-based systematic extrapolation still provides the most reliable error estimates, even when the data quality is not ideal. In contrast, reframing the long-distance asymptotic extrapolation as a data-driven-only inverse problem with ad hoc mathematical conditioning could lead to unnecessarily conservative errors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Black hole spin in X-ray binaries: giving uncertainties an $\mathcal{f}$

The two established techniques for measuring black hole spin in X-ray binaries often yield conflicting results, which must be resolved before either method may be deemed robust. In practice, black hole spin measurements based on fitting the accretion disc continuum effectively do not marginalize over the colour-correction factor f col . This factor parametrizes spectral hardening of the disc continuum by the disc atmosphere, whose true properties are poorly constrained. We incorporate reasonable systematic uncertainties in f col into the eight (non-maximal) black hole spin measurements vetted by the disc continuum fitting community. In most cases, an f col uncertainty of ±0.2–0.3 dominates the black hole spin error budget. We go on to demonstrate that plausible departures in f col values from those adopted by the disc continuum fitting practitioners can bring the discrepant black hole spins into agreement with those from iron line modelling. Systematic uncertainties in f col , such as the effects of strong magnetization, should be better understood before dismissing their potentially dominant impact on the black hole spin error budget.

4U 1543–47↗

DOE OSTI2026

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗

DOE OSTI2020

Regulatory Decision-Making Process Using 'Weight of Evidence: An Evidence Integration Approach' by the State of Washington at the Hanford Site - 20163

Performance Assessment and Environmental Impact Statement Modeling, Human and Ecological Risk Assessments are the tools used by the Washington State Department of Ecology (Ecology) to make regulatory decisions for permitting and cleanup. These efforts all inherently have large amounts of uncertainty no matter how many alternative approaches are attempted. Professional feedback from tribal governments, stakeholders, federal and state regulators, the public and independent peer review groups are taken into account in this process of informed decision making. The process also includes full evaluation of the comments and the associated reviews made by the various peer review groups such as the Low -Level Waste Disposal Facility Federal Review Group (DOE order 435.1) and the Nuclear Regulatory Commission (NRC). The evolution of technology has produced quicker and more efficient fate and transport modeling tools with related quantification of uncertainties and their significance. Groundwater and vadose zone models have been expanded across the entire Hanford site. Many of the technical approaches identified in the Washington State Regulations are updated using current knowledge to better understand the complexities of the Hanford Site using the latest state of the art tools for risk assessment and modeling. More emphasis and time are directed on defining uncertainty and then managing the uncertainty. One added tool is to run sensitivity cases based on informed decision making. The weight of evidence approach considers all relevant information in an integrative assessment that takes into account the kinds of evidence available, the quality and quantity, the uncertainty and error associated with each type, and how they fit together. Evidence of integration involves looking at systematic reviews and evaluating their strengths and weaknesses. In conclusion, Ecology, Washington State's lead regulatory agency at the Hanford site, has had to modify its site closure approach compared to the rest of the state. A more holistic approach dealing with the Hanford site as an integrated system has evolved leading to a defensible informed approach for regulatory closure decisions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Design and testing of a phantom and instrumented gynecological applicator based on GaN dosimeter for use in high dose rate brachytherapy quality assurance

Purpose: High dose rate brachytherapy (HDR-BT) is widely used to treat gynecologic, anal, prostate, head, neck, and breast cancers. These treatments are typically administered in large dose per fraction (>5 Gy) and with high-gradient-dose-distributions, with serious consequences in case of a treatment delivery error (e.g., on dwell position and dwell time). Thus, quality assurance (QA) or quality control (QC) should be systematically and independently implemented. This paper describes the design and testing of a phantom and an instrumented gynecological applicator for pretreatment QA and in vivo QC, respectively. Methods: The authors have designed a HDR-BT phantom equipped with four GaN-based dosimeters. The authors have also instrumented a commercial multichannel HDR-BT gynecological applicator by rigid incorporation of four GaN-based dosimeters in four channels. Specific methods based on the four GaN dosimeter responses are proposed for accurate determination of dwell time and dwell position inside phantom or applicator. The phantom and the applicator have been tested for HDR-BT QA in routine over two different periods: 29 and 15 days, respectively. Measurements in dwell position and time are compared to the treatment plan. A modified position–time gamma index is used to monitor the quality of treatment delivery. Results: The HDR-BT phantom and the instrumented applicator have been used to determine more than 900 dwell positions over the different testing periods. The errors between the planned and measured dwell positions are 0.11 ± 0.70 mm (1σ) and 0.01 ± 0.42 mm (1σ), with the phantom and the applicator, respectively. The dwell time errors for these positions do not exhibit significant bias, with a standard deviation of less than 100 ms for both systems. The modified position–time gamma index sets a threshold, determining whether the treatment run passes or fails. The error detectability of their systems has been evaluated through tests on intentionally introduced error protocols. With a detection threshold of 0.7 mm, the error detection rate on dwell position is 22% at 0.5 mm, 96% at 1 mm, and 100% at and beyond 1.5 mm. On dwell time with a dwell time threshold of 0.1 s, it is 90% at 0.2 s and 100% at and beyond 0.3 s. Conclusions: The proposed HDR-BT phantom and instrumented applicator have been tested and their main characteristics have been evaluated. These systems perform unsupervised measurements and analysis without prior treatment plan information. They allow independent verification of dwell position and time with accuracy of measurements comparable with other similar systems reported in the literature.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

IMPROVED SPECTROPHOTOMETRIC CALIBRATION OF THE SDSS-III BOSS QUASAR SAMPLE

We present a model for spectrophotometric calibration errors in observations of quasars from the third generation of the Sloan Digital Sky Survey Baryon Oscillation Spectroscopic Survey (BOSS) and describe the correction procedure we have developed and applied to this sample. Calibration errors are primarily due to atmospheric differential refraction and guiding offsets during each exposure. The corrections potentially reduce the systematics for any studies of BOSS quasars, including the measurement of baryon acoustic oscillations using the Ly α forest. Our model suggests that, on average, the observed quasar flux in BOSS is overestimated by ∼19% at 3600 Å and underestimated by ∼24% at 10,000 Å. Our corrections for the entire BOSS quasar sample are publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Forward Global Photometric Calibration of the Dark Energy Survey

Many scientific goals for the Dark Energy Survey (DES) require the calibration of optical/NIR broadband b = grizY photometry that is stable in time and uniform over the celestial sky to one percent or better. It is also necessary to limit to similar accuracy systematic uncertainty in the calibrated broadband magnitudes due to uncertainty in the spectrum of the source. Here we present a "Forward Global Calibration Method (FGCM)" for photometric calibration of the DES, and we present results of its application to the first three years of the survey (Y3A1). The FGCM combines data taken with auxiliary instrumentation at the observatory with data from the broadband survey imaging itself and models of the instrument and atmosphere to estimate the spatial and time dependences of the passbands of individual DES survey exposures. "Standard" passbands that are typical of the passbands encountered during the survey are chosen. The passband of any individual observation is combined with an estimate of the source spectral shape to yield a magnitude in the standard system. This "chromatic correction" to the standard system is necessary to achieve subpercent calibrations and in particular, to resolve ambiguity between the broadband brightness of a source and the shape of its SED. The FGCM achieves a reproducible and stable photometric calibration of standard magnitudes of stellar sources over the multiyear Y3A1 data sample with residual random calibration errors of per exposure. The accuracy of the calibration is uniform across the DES footprint to within . The systematic uncertainties of magnitudes in the standard system due to the spectra of sources are less than for main-sequence stars with .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

The Simons Observatory: gain, bandpass and polarization-angle calibration requirements for B-mode searches

We quantify the calibration requirements for systematic uncertainties for next-generation ground-based observatories targeting the large-angle B-mode polarization of the Cosmic Microwave Background, with a focus on the Simons Observatory (SO). We explore uncertainties on gain calibration, bandpass center frequencies, and polarization angles, including the frequency variation of the latter across the bandpass. We find that gain calibration and bandpass center frequencies must be known to percent levels or less to avoid biases on the tensor-to-scalar ratio r on the order of Δ r∼10-3, in line with previous findings. Polarization angles must be calibrated to the level of a few tenths of a degree, while their frequency variation between the edges of the band must be known to O(10) degrees. Given the tightness of these calibration requirements, we explore the level to which residual uncertainties on these systematics would affect the final constraints on r if included in the data model and marginalized over. We find that the additional parameter freedom does not degrade the final constraints on r significantly, broadening the error bar by O(10%) at most. We validate these results by reanalyzing the latest publicly available data from the collaboration within an extended parameter space covering both cosmological, foreground and systematic parameters. Finally, our results are discussed in light of the instrument design and calibration studies carried out within SO.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Evaluation of advanced automatic PET segmentation methods using nonspherical thin-wall inserts

Purpose: The use of positron emission tomography (PET) within radiotherapy treatment planning requires the availability of reliable and accurate segmentation tools. PET automatic segmentation (PET-AS) methods have been recommended for the delineation of tumors, but there is still a lack of thorough validation and cross-comparison of such methods using clinically relevant data. In particular, studies validating PET segmentation tools mainly use phantoms with thick plastic walls inserts of simple spherical geometry and have not specifically investigated the effect of the target object geometry on the delineation accuracy. Our work therefore aimed at generating clinically realistic data using nonspherical thin-wall plastic inserts, for the evaluation and comparison of a set of eight promising PET-AS approaches. Methods: Sixteen nonspherical inserts were manufactured with a plastic wall of 0.18 mm and scanned within a custom plastic phantom. These included ellipsoids and toroids derived with different volumes, as well as tubes, pear- and drop-shaped inserts with different aspect ratios. A set of six spheres of volumes ranging from 0.5 to 102 ml was used for a baseline study. A selection of eight PET-AS methods, written in house, was applied to the images obtained. The methods represented promising segmentation approaches such as adaptive iterative thresholding, region-growing, clustering and gradient-based schemes. The delineation accuracy was measured in terms of overlap with the computed tomography reference contour, using the dice similarity coefficient (DSC), and error in dimensions. Results: The delineation accuracy was lower for nonspherical inserts than for spheres of the same volume in 88% cases. Slice-by-slice gradient-based methods, showed particularly lower DSC for tori (DSC < 0.5), caused by a failure to recover the object geometry. The region-growing method reached high levels of accuracy for most inserts (DSC > 0.76 except for tori) but showed the largest errors in the recovery of pears and drops dimensions (higher than 10% and 30% of the true length, respectively). Large errors were visible for one of the gradient-based contouring methods when delineating drop-shaped inserts. Low DSC due to systematic underestimation of the volumes was observed for our fuzzy clustering method when using nonspherical inserts. The adaptive iterative thresholding method produced the highest DSC score on our nonspherical dataset (DSC > 0.83, except for tori) and showed robustness to the insert geometry. Conclusions: This study investigated the accuracy of eight PET-AS methods for the delineation of objects with a range of nonspherical geometries. The authors’ results confirmed the robustness of some segmentation approaches, but also showed the weaknesses of some of the other methods implemented, which were not observed with spherical inserts. This work therefore highlights the importance of using a variety of thin-wall inserts with complex geometries for the validation of PET-AS methods and provided useful information for further development of the methods tested.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Design and performance of a variable gap system for thermal conductivity measurements of high temperature, corrosive, and reactive fluids

We report high-temperature fluids such as molten salts, liquid metals, and gasses are being proposed for many advanced energy systems including thermal energy storage devices, concentrating solar plants, and advanced nuclear reactor designs. However, the chemical behavior and thermophysical properties of many of these fluids have not been well characterized, which hinders the design, modeling, safety analysis, and deployment of these systems. Thermal conductivity is a property that is especially limited by existing measurement capabilities, which are subject to errors caused by convection, material interaction, radiative heat transfer, and instrument degradation. Therefore, there is a lack of standard, systematic measurement techniques for high-temperature, reactive, and corrosive fluids. In this work, the development of a variable gap thermal conductivity measurement system is detailed. The system is designed to measure the thermal conductivity of highly corrosive and reactive fluids, and survive operation between 100 °C and 800 °C. The effects of convection are minimized by limiting the thickness of the specimen to thin sizes (<0.3 mm). Corrections for radiative heat transfer were included in the working equations to consider specimens with varying optical properties. The design, construction, instrumentation, operating principles, and data analysis techniques are discussed in detail. The system was tested up to 500 °C using helium gas and molten KNO 3 -NaNO 3 to verify the measurement technique and determine the sources of error. At 300 and 400 °C KNO 3 -NaNO 3 , results showed maximum relative error of 6% when compared to results in the literature. The helium results were within 13% of those in the literature at 300 and 400 °C. Higher errors were observed at 500 °C for both fluids, and the sources of these errors are discussed.

42 ENGINEERING↗

DOE OSTI2016

Proton radius from electron scattering data

Background: The proton charge radius extracted from recent muonic hydrogen Lamb shift measurements is significantly smaller than that extracted from atomic hydrogen and electron scattering measurements. The discrepancy has become known as the proton radius puzzle. Purpose: In an attempt to understand the discrepancy, we review high-precision electron scattering results from Mainz, Jefferson Lab, Saskatoon and Stanford. Methods: We make use of stepwise regression techniques using the F-test as well as the Akaike information criterion to systematically determine the predictive variables to use for a given set and range of electron scattering data as well as to provide multivariate error estimates. Results: Starting with the precision, low four-momentum transfer (Q 2 ) data from Mainz (1980) and Saskatoon (1974), we find that a stepwise regression of the Maclaurin series using the F-test as well as the Akaike information criterion justify using a linear extrapolation which yields a value for the proton radius that is consistent with the result obtained from muonic hydrogen measurements. Applying the same Maclaurin series and statistical criteria to the 2014 Rosenbluth results on GE from Mainz, we again find that the stepwise regression tends to favor a radius consistent with the muonic hydrogen radius but produces results that are extremely sensitive to the range of data included in the fit. Making use of the high-Q 2 data on G E to select functions which extrapolate to high Q 2 , we find that a Pad´e (N = M = 1) statistical model works remarkably well, as does a dipole function with a 0.84 fm radius, G E (Q 2 ) = (1 + Q 2 /0.66 GeV 2 ) -2 . Conclusions: Rigorous applications of stepwise regression techniques and multivariate error estimates result in the extraction of a proton charge radius that is consistent with the muonic hydrogen result of 0.84 fm; either from linear extrapolation of the extreme low-Q 2 data or by use of the Pad´e approximant for extrapolation using a larger range of data. Thus, based on a purely statistical analysis of electron scattering data, we conclude that the electron scattering result and the muonic hydrogen result are consistent. Lastly, it is the atomic hydrogen results that are the outliers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications

Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state ( OS C ) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ion intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H 2 O + and CO + ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H 2 O + , CO + , and CO 2 + fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO + and especially H 2 O + produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OS C values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OS C units). This indicates that OS C is a more robust metric of oxidation than O : C, likely since OS C is not affected by hydration or dehydration, either in the atmosphere or during analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

OBSERVATION AND SPECTRAL MEASUREMENTS OF THE CRAB NEBULA WITH MILAGRO

The Crab Nebula was detected with the Milagro experiment at a statistical significance of 17 standard deviations over the lifetime of the experiment. The experiment was sensitive to approximately 100 GeV-100 TeV gamma-ray air showers by observing the particle footprint reaching the ground. The fraction of detectors recording signals from photons at the ground is a suitable proxy for the energy of the primary particle and has been used to measure the photon energy spectrum of the Crab Nebula between {approx}1 and {approx}100 TeV. The TeV emission is believed to be caused by inverse-Compton upscattering of ambient photons by an energetic electron population. The location of a TeV steepening or cutoff in the energy spectrum reveals important details about the underlying electron population. We describe the experiment and the technique for distinguishing gamma-ray events from the much more-abundant hadronic events. We describe the calculation of the significance of the excess from the Crab and how the energy spectrum is fitted. The differential photon energy spectrum, including the statistical errors from the fit, obtained using a simple power-law hypothesis for data between 2005 September and 2008 March is (6.5 {+-} 0.4) Multiplication-Sign 10{sup -14}(E/10 TeV){sup -3.1{+-}0.1}(cm{sup 2} s TeV ){sup -1} between {approx}1 TeV and {approx}100 TeV. Allowing for a possible exponential cutoff, the photon energy spectrum is fitted as (2.5{sup +0.7}{sub -0.4}) Multiplication-Sign 10{sup -12}(E/3 TeV){sup -2.5{+-}0.4}exp (- E/32{sup +39}{sub -18} TeV) (cm{sup 2} s TeV){sup -1}. The results are subject to an {approx}30% systematic uncertainty in the overall flux and an {approx}0.1 systematic uncertainty in the power-law indices quoted. Uncertainty in the overall energy scale has been absorbed into these errors. Fixing the spectral index to values that have been measured below 1 TeV by IACT experiments (2.4-2.6), the fit to the Milagro data suggests that Crab exhibits a spectral steepening or cutoff between about 20-40 TeV.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Constraining the baryon-dark matter relative velocity with the large-scale 3-point correlation function of the SDSS BOSS DR12 CMASS galaxies

We search for a galaxy clustering bias due to a modulation of galaxy number with the baryon-dark matter relative velocity resulting from recombination-era physics. We find no detected signal and place the constraint bv <0.01 on the relative velocity bias for the CMASS galaxies. This bias is an important potential systematic of Baryon Acoustic Oscillation (BAO) method measurements of the cosmic distance scale using the 2-point clustering. Our limit on the relative velocity bias indicates a systematic shift of no more than 0.3% rms in the distance scale inferred from the BAO feature in the BOSS 2-point clustering, well below the 1% statistical error of this measurement. In conclusion, this constraint is the most stringent currently available and has important implications for the ability of upcoming large-scale structure surveys such as DESI to self-protect against the relative velocity as a possible systematic.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Systematically improvable multiscale solver for correlated electron systems

The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe a framework for a general multiscale method based on embedding a self-energy of a strongly correlated subsystem into a self-energy generated by a method able to treat large weakly correlated systems approximately. As an example, we present the embedding of an exact diagonalization self-energy into a self-energy generated from self-consistent second-order perturbation theory. Using a quantum impurity model, generated from a cluster dynamical mean field approximation to the two-dimensional Hubbard model, as a benchmark, we illustrate that our method allows us to obtain accurate results at a fraction of the cost of typical Monte Carlo calculations. We test the method in multiple regimes of interaction strengths and dopings of the model. Here, the general embedding framework we present avoids difficulties such as double counting corrections, frequency-dependent interactions, or vertex functions. As it is solely formulated at the level of the single-particle Green's function, it provides a promising route for the simulation of realistic materials that are currently difficult to study with other methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗