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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Offshore wind energy forecasting sensitivity to sea surface temperature input in the Mid-Atlantic

Abstract. As offshore wind farm development expands, accurate wind resource forecasting over the ocean is needed. One important yet relatively unexplored aspect of offshore wind resource assessment is the role of sea surface temperature (SST). Models are generally forced with reanalysis data sets, which employ daily SST products. Compared with observations, significant variations in SSTs that occur on finer timescales are often not captured. Consequently, shorter-lived events such as sea breezes and low-level jets (among others), which are influenced by SSTs, may not be correctly represented in model results. The use of hourly SST products may improve the forecasting of these events. In this study, we examine the sensitivity of model output from the Weather Research and Forecasting model (WRF) 4.2.1 to different SST products. We first evaluate three different data sets: the Multiscale Ultrahigh Resolution (MUR25) SST analysis, a daily, 0.25∘ × 0.25∘ resolution product; the Operational Sea Surface Temperature and Ice Analysis (OSTIA), a daily, 0.054∘ × 0.054∘ resolution product; and SSTs from the Geostationary Operational Environmental Satellite 16 (GOES-16), an hourly, 0.02∘ × 0.02∘ resolution product. GOES-16 is not processed at the same level as OSTIA and MUR25; therefore, the product requires gap-filling using an interpolation method to create a complete map with no missing data points. OSTIA and GOES-16 SSTs validate markedly better against buoy observations than MUR25, so these two products are selected for use with model simulations, while MUR25 is at this point removed from consideration. We run the model for June and July of 2020 and find that for this time period, in the Mid-Atlantic, although OSTIA SSTs overall validate better against in situ observations taken via a buoy array in the area, the two products result in comparable hub-height (140 m) wind characterization performance on monthly timescales. Additionally, during hours-long flagged events (< 30 h each) that show statistically significant wind speed deviations between the two simulations, both simulations once again demonstrate similar validation performance (differences in bias, earth mover's distance, correlation, and root mean square error on the order of 10−1 or less), with GOES-16 winds validating nominally better than OSTIA winds. With a more refined GOES-16 product, which has been not only gap-filled but also assimilated with in situ SST measurements in the region, it is likely that hub-height winds characterized by GOES-16-informed simulations would definitively validate better than those informed by OSTIA SSTs.

17 WIND ENERGY↗
DOE OSTI2025

Turbulence-Resolving Simulations of Hurricane Laura (2020): Insights Into Extreme Winds and Eyewall Turbulence

Extreme weather events pose significant risks to coastal and offshore energy infrastructure. In this work, we investigate the structure of mean winds and turbulence near the surface ( z < 300 m) that occurred during Hurricane Laura in 2020 on the US Gulf Coast. To this end, we perform turbulence-resolving simulations (..delta..x = 33.33 m) that encompass the entire eyewall of Hurricane Laura by introducing a novel method that we will refer to as Moving-Mesoscale to Static-LES Integrated Coupling (MOSAIC). The simulation results are validated against surface, boundary-layer, and mid-tropospheric observations. Our analysis of the extreme wind conditions near the surface indicates that the mean wind and turbulence profiles vary greatly at and near the eyewall, resulting in extreme values of mean wind speed (U > 50 m * s-1) and turbulence kinetic energy (k ~ 50 m2 * s-2) at altitudes above 50 m . To investigate in detail the nature of turbulence within the eyewall of the storm, we conduct higher-resolution simulations (..delta..x = 11.11 m) of a portion of the hurricane. We provide a comprehensive statistical description of turbulence in the eyewall region, highlighting the need to employ ..delta..x ~ 10 m grid spacing to capture the integral length-scales near the surface, second- and higher-order central moments (i.e., skewness and kurtosis), and spectral coherence in the flow accurately. These numerical simulations provide the most detailed description of mean winds and turbulent conditions within the eyewall of a historical tropical cyclone to date, illustrating how high-resolution simulations can enhance limited turbulence measurements in hurricanes and giving insight into the extreme conditions threatening offshore and coastal infrastructure.

17 WIND ENERGY↗
DOE OSTI2024

Measurement of the effective leptonic weak mixing angle

Using pp collision data at $\sqrt{s}$ = 13 TeV, recorded by the LHCb experiment between 2016 and 2018 and corresponding to an integrated luminosity of 5.4 fb −1 , the forward-backward asymmetry in the pp → Z/γ* → μ + μ − process is measured. The measurement is carried out in ten intervals of the difference between the muon pseudorapidities, within a fiducial region covering dimuon masses between 66 and 116 GeV, muon pseudorapidities between 2.0 and 4.5 and muon transverse momenta above 20 GeV. These forward-backward asymmetries are compared with predictions, at next-to-leading order in the strong and electroweak couplings. The measured effective leptonic weak mixing angle is ${\sin}^2{\theta}_{\textrm{eff}}^{\ell }=0.23147\pm 0.00044\pm 0.00005\pm 0.00023,$ where the first uncertainty is statistical, the second arises from systematic uncertainties associated with the asymmetry measurement, and the third arises from uncertainties in the fit model used to extract ${\sin}^2{\theta}_{\textrm{eff}}^{\ell }$ from the asymmetry measurement. This result is based on an arithmetic average of results using the CT18, MSHT20, and NNPDF31 parameterisations of the proton internal structure, and is consistent with previous measurements and with predictions from the global electroweak fit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

All-Polyhydroxyalkanoate Triblock Copolymers via a Stereoselective-Chemocatalytic Route

Biodegradable polyhydroxyalkanoate (PHA) homopolymers and statistical copolymers are ubiquitous in microbially produced PHAs, but the step-growth polycondensation mechanism the biosynthesis operates on presents a challenge to access well-defined block copolymers (BCPs), especially higher-order tri-BCP PHAs. We report a stereoselective-chemocatalytic route to produce discrete hard–soft–hard ABA all-PHA tri-BCPs based on the living chain-growth ring-opening polymerization of racemic (rac) 8-membered diolides (rac-8DL R ; R denotes the two substituents on the ring). Depending on the composition of the soft B block, originated from rac-8DL R (R = Et, n Bu), and its ratio to the semicrystalline, high-melting hard A block, derived from rac-8DL Me , the resulting all-PHA tri-BCPs with high molar mass (M n up to 238 kg mol –1 ) and low dispersity (&#208: = 1.07) exhibit tunable mechanical properties characteristic of a strong and tough thermoplastic, elastomer, or a semicrystalline thermoplastic elastomer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dark Energy Survey Year 3 results: Cosmology from combined galaxy clustering and lensing validation on cosmological simulations

In this work, we present a validation of the Dark Energy Survey Year 3 (DES Y3) 3×2-point analysis choices by testing them on Buzzard2.0, a new suite of cosmological simulations that is tailored for the testing and validation of combined galaxy clustering and weak-lensing analyses. We show that the buzzard2.0 simulations accurately reproduce many important aspects of the DES Y3 data, including photometric redshift and magnitude distributions, and the relevant set of two-point clustering and weak-lensing statistics. We then show that our model for the 3×2-point data vector is accurate enough to recover the true cosmology in simulated surveys assuming the true redshift distributions for our source and lens samples, demonstrating robustness to uncertainties in the modeling of the nonlinear matter power spectrum, nonlinear galaxy bias, and higher-order lensing corrections. Additionally, we demonstrate for the first time that our photometric redshift calibration methodology, including information from photometry, spectroscopy, clustering cross-correlations, and galaxy–galaxy lensing ratios, is accurate enough to recover the true cosmology in simulated surveys in the presence of realistic photometric redshift uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Hemispherical power asymmetry in intensity and polarization for Planck PR4 data

Abstract One of the foundations of the Standard Model of Cosmology is statistical isotropy, which can be tested, among other probes, through the study of the Cosmic Microwave Background (CMB). However, a hemispherical power asymmetry on large scales has been reported for WMAP and Planck data by different works.The statistical significance is above 3σfor temperature, suggesting a directional dependence of the local power spectrum, and thus a feature beyond the ΛCDM model. With the third release of the Planck data (PR3), a new analysis was performed including the E-mode polarization maps, finding an asymmetry at a modest level of significance. In this work, we perform an asymmetry analysis in intensity and polarization maps for the latest Planck processing pipeline (PR4). We obtain similar results to those obtained with PR3, with a slightly lower significance (2.8% for the Sevem method)for the amplitude of the E-mode local variance dipole as well as a significant variability with the considered mask.In addition, a hint of a possible T-E alignment between the asymmetry axes is found at the level of ∼ 5%. For the analysis, we have implemented an alternative inpainting approach in order to get an accurate reconstruction of the E-modes. More sensitive all-sky CMB polarization data, such as those expected from the future LiteBIRD experiment, are needed to reach a more robust conclusion on the possible existence of deviations from statistical isotropy in the form of a hemispherical power asymmetry.

Astronomy & Astrophysics↗
DOE OSTI2023

Linear growth of circuit complexity from Brownian dynamics

How rapidly can a many-body quantum system generate randomness? Using path integral methods, we demonstrate that Brownian quantum systems have circuit complexity that grows linearly with time. In particular, we study Brownian clusters of N spins or fermions with time-dependent all-to-all interactions, and calculate the Frame Potential to characterize complexity growth in these models. In both cases the problem can be mapped to an effective statistical mechanics problem which we study using path integral methods. Within this framework it is straightforward to show that the kth Frame Potential comes within ϵ of the Haar value after a time of order t ~ kN + k log k + log ϵ –1 . Using a bound on the diamond norm, this implies that such circuits are capable of coming very close to a unitary k-design after a time of order t ~ kN. We also consider the same question for systems with a time-independent Hamiltonian and argue that a small amount of time-dependent randomness is sufficient to generate a k-design in linear time provided the underlying Hamiltonian is quantum chaotic. These models provide explicit examples of linear complexity growth that are analytically tractable and are directly applicable to practical applications calling for unitary k-designs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Robust verification of stochastic simulation codes

We introduce a robust verification tool for computational codes, which we call Stochastic Robust Extrapolation based Error Quantification (StREEQ). Unlike the prevalent Grid Convergence Index (GCI) [1] method, our approach is suitable for both stochastic and deterministic computational codes and is generalizable to any number of discretization variables. Building on ideas introduced in the Robust Verification [2] approach, we estimate the converged solution and orders of convergence with uncertainty using multiple fits of a discretization error model. In contrast to Robust Verification, we perform these fits to many bootstrap samples yielding a larger set of predictions with smoother statistics. Here, bootstrap resampling is performed on the lack-of-fit errors for deterministic code responses, and directly on the noisy data set for stochastic responses. This approach lends a degree of robustness to the overall results, capable of yielding precise verification results for sufficiently resolved data sets, and appropriately expanding the uncertainty when the data set does not support a precise result. For stochastic responses, a credibility assessment is also performed to give the analyst an indication of the trustworthiness of the results. Furthermore, this approach is suitable for both code and solution verification, and is particularly useful for solution verification of high-consequence simulations..

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

The Atacama Cosmology Telescope: Large-scale velocity reconstruction with the kinematic Sunyaev-Zel'dovich effect and DESI LRGs

The kinematic Sunyaev-Zel'dovich (kSZ) effect induces a non-zero density-density-temperature bispectrum, which we can use to reconstruct the large-scale velocity field from a combination of cosmic microwave background (CMB) and galaxy density measurements, in a procedure known as “kSZ velocity reconstruction”. This method has been forecast to constrain large-scale modes with future galaxy and CMB surveys, improving their measurement beyond what is possible with the galaxy surveys alone. Such measurements will enable tighter constraints on large-scale signals such as primordial non-Gaussianity, deviations from homogeneity, and modified gravity. In this work, we demonstrate a statistically significant measurement of kSZ velocity reconstruction for the first time, by applying quadratic estimators to the combination of the ACT DR6 CMB+kSZ map and the DESI LRG galaxies (with photometric redshifts) in order to reconstruct the velocity field. We do so using a formalism appropriate for the 2-dimensional projected galaxy fields that we use, which naturally incorporates the curved-sky effects important on the largest scales. We find evidence for the signal by cross-correlating with an external estimate of the velocity field from the spectroscopic BOSS survey and rejecting the null (no-kSZ) hypothesis at 3.8σ. Our work presents a first step towards the use of this observable for cosmological analyses.

Sunyaev-Zeldovich effect↗
DOE OSTI2024

Effect of the volume fraction gradient on the phase interaction force model for disperse two-phase flows

In this work, the effects of the particle volume fraction gradient on fluid-particle interactions are studied. The phase interaction force is decomposed into three terms. For the first term, namely the symmetrized force density, we present theoretical reasoning and numerical evidence to assume that it is independent of the particle volume fraction gradient. The second term is the particle volume fraction gradient times a newly introduced diffusion stress. The third term is the divergence of the particle-fluid-particle (PFP) stress. If this assumption of independence of the particle volume fraction gradient for the first term can be verified, to the first order of the ratio of the mean distance between particles to the macroscopic lengthscale, all three terms can be studied and modeled in flows with uniform particle distributions. Models thus obtained are applicable to statistically inhomogeneous flows, with the second and third terms accounting for statistical inhomogeneity. To verify this assumption, numerical simulations of flows passing fixed arrays of particles are performed. Both uniform and nonuniform particle volume fractions are studied and compared for disperse multiphase flows with the particle Reynolds numbers ranging from 1 to 100, and particle volume fraction ranging from 1% to 26% in statistically steady states. It is found that the symmetrized force (first) term can be well approximated by the drag force obtained from studies of uniform flows. The diffusion stress is positive along the flow direction and negative in the directions perpendicular to the flow. In the case of moving particles, this stress could potentially cause particle aggregation in the flow direction and dispersion in the directions perpendicular to the flow. Finally, the diffusion stress is only important when there is a volume fraction gradient, while the PFP stress can be important in inhomogeneous flows with either nonuniform particle concentrations or nonuniform average relative velocities between the phases.

42 ENGINEERING↗
DOE OSTI2026

Moments of parton distribution functions of the pion from lattice QCD using gradient flow

We present a nonperturbative determination of the pion valence parton distribution function (PDF) moment ratios ⟨𝑥 𝑛−1 ⟩/⟨𝑥⟩ up to 𝑛 = 6, using the gradient flow in lattice quantum chromodynamics (QCD). As a testing ground, we employ SU(3) isosymmetric gauge configurations generated by the OpenLat initiative with a pseudoscalar mass of 𝑚 𝜋 ≃ 411 MeV. Our analysis uses four lattice spacings and a nonperturbatively improved action, enabling full control over the continuum extrapolation, and the limit of vanishing flow time, 𝑡 →0. The flowed ratios exhibit O(𝑎 2 ) scaling across the ensembles, and the continuum-extrapolated results, matched to the $\overline{MS}$ scheme at 𝜇 = 2 GeV using next-to-next-to-leading order matching coefficients, show only mild residual flow-time dependence. The resulting ratios, computed with a relatively small number of configurations, are consistent with phenomenological expectations for the pion’s valence distribution, with statistical uncertainties that are competitive with modern global fits. These findings demonstrate that the gradient flow provides an efficient and systematically improvable method to access partonic quantities from first principles. Future extensions of this work will target lighter pion masses toward the physical point, and applications to nucleon structure such as the proton PDFs and the gluon and sea-quark distributions.

lattice QCD↗
DOE OSTI2021

A consistent, Bayesian, approach to the cross section probability distribution in the unresolved resonance region

The cross sections of neutron-induced reactions can be divided into three energy ranges: the resolved resonance region (RRR), the unresolved resonance region (URR), and the fast region. In general, the cross sections in the URR show significant fluctuations that cannot be predicted and cannot be experimentally resolved, thus, it is commonly assumed that the cross section at a specific energy is given by a probability distribution function (PDF) over a range of values that can span several orders of magnitude. The current methodology used to describe such behavior is to construct the PDF by stochastically generating resonance ladders and numerically measuring the PDF. The resonance ladders are sampled using known resonance statistical properties and average resonance widths and spacings extrapolated from the RRR. Although this is a standard and widely used technique, it is computationally very expensive, therefore, an alternative, analytical, approach would be preferable due to the considerable speed up of the computational time in real life applications. Moreover, the current methodology does not take into account existing experimental data, such for total and capture cross sections, that are available for many nuclei. Finally, this approach was developed to be used in reactor-scale applications and it is not suited for use in single-event applications. In this work we will rethink the entire approach to the PDF construction using a Bayesian mindset. This will allow us to provide a different definition of the PDF that allows a much faster calculation of the higher-temperature PDFs and a proper combination of theoretical and experimental PDFs following the probability theory. We will also show that our definition is well suited for single-event applications and we will make an explicit connection between our method and the standard approach. We do this by showing that the central limit theorem applies and our method leads to the same PDF obtained with the standard methodology, for a large number of events per history.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Systematic Study of the Self-Renormalized Nucleon Gluon PDF in Large-Momentum Effective Theory

We present a systematic study of the nucleon gluon parton distribution function (PDF) using the self-renormalized large-momentum effective theory (LaMET) approach in lattice QCD. This work extends previous gluon-PDF extractions by performing a detailed analysis of key systematic effects, including gauge-link smearing, lattice spacing, pion mass, and nucleon boost momentum. The self-renormalization framework mitigates ultraviolet divergences associated with Wilson-line self-energy and renormalon contributions by combining lattice matrix elements with perturbative short-distance information, thereby preserving the correct infrared structure. Calculations are performed on $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration at three lattice spacings and two pion masses, with boosted nucleon states reaching momenta up to 2.2~GeV. We determine renormalization factors from zero-momentum matrix elements and apply hybrid renormalization to suppress discretization artifacts. After extrapolating large-separation behavior and performing Fourier transforms, we reconstruct quasi-PDFs and match them to lightcone PDFs using next-to-leading order Wilson coefficients. Our results demonstrate that smearing and lattice-spacing effects are under control, and pion-mass and lattice-spacing dependence is mild relative to the current $O(10^6)$ statistics; however, momentum dependence remains a significant source of uncertainty. Future work including even larger boost momenta will be essential to reduce systematics in lattice determinations of the gluon PDF and to advance toward precision QCD phenomenology at the LHC and the future Electron-Ion Collider.

FOS: Physical sciences↗
DOE OSTI2021

Quantifying experimental edge plasma evolution via multidimensional adaptive Gaussian process regression

The edge density and temperature of tokamak plasmas are strongly correlated with energy and particle confinement and their quantification is fundamental to understanding edge dynamics. These quantities exhibit behaviours ranging from sharp plasma gradients and fast transient phenomena (e.g. transitions between low and high confinement regimes) to nominal stationary phases. Analysis of experimental edge measurements therefore require robust fitting techniques to capture potentially stiff spatiotemporal evolution. Additionally, fusion plasma diagnostics inevitably involve measurement errors and data analysis requires a statistical framework to accurately quantify uncertainties. This paper outlines a generalized multidimensional adaptive Gaussian process routine capable of automatically handling noisy data and spatiotemporal correlations. We focus on the edge-pedestal region in order to underline advancements in quantifying time-dependent plasma profiles including transport barrier formation on the Alcator C-Mod tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Quantifying Quantum Chaos through Microcanonical Distributions of Entanglement

A characteristic feature of “quantum chaotic” systems is that their eigenspectra and eigenstates display universal statistical properties described by random matrix theory (RMT). However, eigenstates of local systems also encode structure beyond RMT. To capture this feature, we introduce a framework that allows us to compare the properties of eigenstates in local systems with those of pure random states. In particular, our framework defines a notion of distance between quantum state ensembles that utilizes the Kullback-Leibler divergence to compare the microcanonical distribution of entanglement entropy (EE) of eigenstates with a reference RMT distribution generated by pure random states (with appropriate constraints). This notion gives rise to a quantitative metric for quantum chaos that not only accounts for averages of the distributions but also higher moments. The differences in moments are compared on a highly resolved scale set by the standard deviation of the RMT distribution, which is exponentially small in system size. As a result, the metric can distinguish between chaotic and integrable behaviors and, in addition, quantify and compare the of chaos (in terms of proximity to RMT behavior) between two systems that are assumed to be chaotic. We implement our framework in local, minimally structured, Floquet random circuits, as well as a canonical family of many-body Hamiltonians, the mixed-field Ising model (MFIM). Importantly, for Hamiltonian systems, we find that the reference random distribution must be appropriately constrained to incorporate the effect of energy conservation in order to describe the ensemble properties of midspectrum eigenstates. The metric captures deviations from RMT across all models and parameters, including those that have been previously identified as strongly chaotic, and for which other diagnostics of chaos such as level spacing statistics look strongly thermal. In Floquet circuits, the dominant source of deviations is the second moment of the distribution, and this persists for all system sizes. For the MFIM, we find significant variation of the KL divergence in parameter space. Notably, we find a small region where deviations from RMT are minimized, suggesting that “maximally chaotic” Hamiltonians may exist in fine-tuned pockets of parameter space. Published by the American Physical Society 2024

Physics↗
DOE OSTI2020

Quantifying Uncertainties In Neutron-Alpha Scattering With Chiral Nucleon-Nucleon And Three-Nucleon Forces

We report that modern ab initio theory combined with high-quality nucleon-nucleon (NN) and three-nucleon (3N) interactions from chiral effective field theory (EFT) can provide a predictive description of low-energy light-nuclei reactions relevant for astrophysics and fusion-energy applications. However, the high cost of computations has so far impeded a complete analysis of the uncertainty budget of such calculations. Starting from NN potentials up to fifth order (N 4 LO) combined with leading-order 3N forces, we study how the order-by-order convergence of the chiral expansion and confidence intervals for the 3N contact and contact-plus-one-pion-exchange low-energy constants (c E and c D ) contribute to the overall uncertainty budget of many-body calculations of neutron- 4 He (n-α) elastic scattering. We compute structure and reaction observables for three-, four-, and five-nucleon systems within the ab initio frameworks of the no-core shell model and no-core shell model with continuum. Using a small set of design runs, we construct a Gaussian process model (GPM) that acts as a statistical emulator for the theory. With this, we gain insight into how uncertainties in the 3N low-energy constants propagate throughout the calculation and determine the Bayesian posterior distribution of these parameters with Markov-Chain Monte Carlo. We find rapidly converging n-α phase shifts with respect to the chiral order. With the adopted leading-order 3N force, calculations based on the NN interaction at N 4 LO of Entem, Machleidt, and Nosyk are unable to reproduce the experimental phase shifts in the 3/2 - channel within the estimated chiral truncation errors. Closer agreement with empirical data is found when using an older parametrization of the NN interaction at order N 3 LO, and the position and width of the P-wave resonances can be used to reduce the uncertainty of the 3N low-energy constants. The present results point to a lack of spin-orbit strength when the newer parametrization of the chiral NN force up to fifth order is combined with the leading-order 3N force. The inclusion of higher-order 3N-force terms may be required to recover the missing strength. GPMs can act as fast and accurate emulators of ab initio many-body calculations of low-energy scattering and reactions of light nuclei, opening the way to a robust quantification of theoretical uncertainties grounded in the description of the underlying chiral Hamiltonian.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Local Atomic Structure in Photo-isomerized Ruthenium Sulfur Dioxide Complexes Revealed by Pair Distribution Function Analysis

SO 2 linkage photoisomerization in crystalline ruthenium-based complexes has demonstrated nanophotonic phenomena such as optical switching and nano-optomechanical transduction. Molecular insights into these materials have been explored largely via the characterization of their photoinduced crystal structures via in situ single-crystal X-ray diffraction, known as photocrystallography. Photoinduced molecular disorder is present, which photocrystallography can model to the extent that it is confined within the periodic boundary of a unit cell. However, non-periodic molecular disorder is suspected to exist as well. In situ total scattering experiments were therefore carried out on finely powdered crystals of four ruthenium-sulfur dioxide complexes. Data were modeled using light-minus-dark' difference pair distribution function analysis, which afforded photoinduced structural changes exclusively. This revealed structural features that were first compared against models of photoinduced crystal structures known a priori from photocrystallography. Furthermore, statistical inference was then employed, which evidenced generally good agreement between the total scattering data and the photocrystallographic models, while revealing real differences that are indicative of a structure with only a short-range order. Overall, our findings demonstrate that in situ light-induced total scattering experiments on finely powdered crystals are able to reveal the photoinduced structure. Overall, the evidence suggests that such structure could include a short-range order as well as photocrystallographic content. Our demonstration experiment offers a pathway to develop studies that capture the short-range order in linkage photoisomers, while we have outlined the procedure for testing the validity of associated structural models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Planck intermediate results

In this work, we describe an extension of the most recent version of the Planck Catalogue of Compact Sources (PCCS2), produced using a new multi-band Bayesian Extraction and Estimation Package (BeeP). BeeP assumes that the compact sources present in PCCS2 at 857 GHz have a dust-like spectral energy distribution (SED), which leads to emission at both lower and higher frequencies, and adjusts the parameters of the source and its SED to fit the emission observed in Planck’s three highest frequency channels at 353, 545, and 857 GHz, as well as the IRIS map at 3000 GHz. In order to reduce confusion regarding diffuse cirrus emission, BeeP’s data model includes a description of the background emission surrounding each source, and it adjusts the confidence in the source parameter extraction based on the statistical properties of the spatial distribution of the background emission. BeeP produces the following three new sets of parameters for each source: (a) fits to a modified blackbody (MBB) thermal emission model of the source; (b) SED-independent source flux densities at each frequency considered; and (c) fits to an MBB model of the background in which the source is embedded. BeeP also calculates, for each source, a reliability parameter, which takes into account confusion due to the surrounding cirrus. This parameter can be used to extract sub-samples of high-frequency sources with statistically well-understood properties. We define a high-reliability subset (BeeP/base), containing 26 083 sources (54.1% of the total PCCS2 catalogue), the majority of which have no information on reliability in the PCCS2. We describe the characteristics of this specific high-quality subset of PCCS2 and its validation against other data sets, specifically for: the sub-sample of PCCS2 located in low-cirrus areas; the Planck Catalogue of Galactic Cold Clumps; the Herschel GAMA15-field catalogue; and the temperature- and spectral-index-reconstructed dust maps obtained with Planck’s Generalized Needlet Internal Linear Combination method. The results of the BeeP extension of PCCS2, which are made publicly available via the Planck Legacy Archive, will enable the study of the thermal properties of well-defined samples of compact Galactic and extragalactic dusty sources.

79 ASTRONOMY AND ASTROPHYSICS↗