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Retrieval of warm precipitation microphysics
Intrieri et al. (1993) and later O’Connor et al. (2005) proposed a technique to constrain water drop size distribution using lidar backscatter (related to water drop cross-section) and Doppler spectral width (related to the width of the water drop size distribution). This radar-lidar technique can be used to estimate precipitation rate and microphysical characteristics at all levels in the subcloud layer when collocated radar and ceilometer observations are available. We apply this technique to the vertically pointing ARM ceilometer lidar and Ka-band Zenith Radar (KAZR2) pair. The O’Connor et al. (2005) technique requires ceilometer backscatter to be calibrated and remapped to the radar spatio-temporal resolution (here 2 s x 30 m). Ceilometer backscatter is calibrated following a variation of the O'Connor et al. (2004) technique by scaling observed path-integrated backscatter in thick stratocumulus to match theoretical cloud lidar ratio values. Satisfactory conditions for ceilometer backscatter calibration are identified as the first (in time) 20-min periods each day with standard deviation of lidar ratio smaller than 1.5. The observed backscatter during the “satisfactory 20-min period” are input to Hogan (2006)’s multi scattered model to determine a daily backscatter calibration factor. For days where satisfactory conditions are not observed, a climatological calibration factor of 1.35 is used to calibrate the observed backscatter. Calibrated ceilometer backscatter is subsequently mapped on the KAZR2 time-height grid using a nearest-neighbor approach. Following Kollias et al. (2019), KAZR2 calibration is performed using collocated surface-based Parsivel laser disdrometer-equivalent radar reflectivity estimates during light precipitation events. This radar-lidar technique generates time-height maps of precipitation rate from 200 m above ground level to 90 m below cloud base height that are filtered for aerosol contamination.
vdisquants: Video Distrometer derived radar equivalent quantities. Retrievals from the VDIS instrument providing radar equivalent quantities, including dual polarization radar quantities (e.g., Z, Differential Reflectivity ZDR).
1. Provide cleaned and filtered data stream from multiple ARM disdrometers; 2. Estimate commonly-used physical parameters of the Drop Size Distribution (DSD). 3. Calculate radar equivalent quantities such as the Radar Reflectivity Factor Z.
Numerical investigation of microbial quorum sensing under various flow conditions
Microorganisms efficiently coordinate phenotype expressions through a decision-making process known as quorum sensing (QS). We investigated QS amongst distinct, spatially distributed microbial aggregates under various flow conditions using a process-driven numerical model. Model simulations assess the conditions suitable for QS induction and quantify the importance of advective transport of signaling molecules. In addition, advection dilutes signaling molecules so that faster flow conditions require higher microbial densities, faster signal production rates, or higher sensitivities to signaling molecules to induce QS. However, autoinduction of signal production can substantially increase the transport distance of signaling molecules in both upstream and downstream directions. We present empirical approximations to the solutions of the advection–diffusion–reaction equation that describe the concentration profiles of signaling molecules for a wide range of flow and reaction rates. These empirical relationships, which predict the distribution of dissolved solutes along pore channels, allow to quantitatively estimate the effective communication distances amongst multiple microbial aggregates without further numerical simulations.
Equipping Neural Network Surrogates with Uncertainty for Propagation in Physical Systems
Coarse-grained or filtered models typically rely on closure models to account for unresolved scales. For instance, large eddy simulation for modeling turbulent fluid flows explicitly resolves the largest scales, but requires modeling closure terms to account for the sub-filter scales. With the vast amount of data available from high-fidelity simulations, there are unique opportunities to leverage data-driven modeling techniques to formulate expressive and flexible closure models. Despite their flexibility, data-driven models struggle in domain shift settings, i.e. when deployed in configurations not captured in the training dataset. In particular, the efficacy of neural network surrogates is difficult to assess a priori due to the deterministic, point-estimate nature of predictions. In high-consequence applications, such models require reliable uncertainty estimates in the data-informed and out-of-distribution regimes. To quantify uncertainties in both regimes, we employ Bayesian neural networks which are able to capture both epistemic and aleatoric uncertainties. We will discuss challenges associated with the training and evaluation of these networks. Furthermore, we will discuss uncertainty embedding strategies to enable efficient sampling and propagation of uncertainty through high-fidelity simulations.
Likelihood-Based Particle Identification in the Short-Baseline Near Detector
Accurate particle identification is crucial in any high-energy physics experiment, allowing scientists to understand the unique interactions and mechanisms at play in a detector. In this project, I develop and study a new particle identification (PID) algorithm for the Short-Baseline Near Detector, a likelihood-based approach, different from out current $\chi^2$ method. A likelihood estimation offers a more physically motivated strategy for PID. The distribution random energy losses of charged particles traveling through a medium are described by the Vavilov probability density function. By using this model, we can account for random energy losses and construct likelihood functions specific to each particle type, potentially enabling a more accurate method for PID.
Interparticle Interactions in Dilute Solutions of Polyelectrolyte Complex Micelles.
The application of dilute solutions of poly electrolyte complex (PEC) micelles for delivering therapeutic nucleic acids into disease sites has gained momentum. This Letter reports a detailed characterization of PEC micelles in dilute solutions including their internal structures and the determination of the interparticle interactions. The polymer concentration ranges from 0.1 to 0.5 wt %, a regime where micelle-micelle interactions are infrequent. We employ synchrotron small-angle X-ray scattering (SAXS) to simultaneously probe the morphology, internal structure, and radius of gyration (R-g) of the self-assemblies formed by charged diblock polyelectrolytes and homopolyelectrolytes. The emerging appearance of the structure factor in SAXS profiles with the increasing polymer concentration demonstrates the presence of the repulsive intermicellar correlations, which is further confirmed by the differences between the "reciprocal R-g" estimated by Guinier approximation and the "real space R-g" determined by pair distribution functions. We find that the soft corona chains tethered on the surface of phase-separated complex domains are compressed when micelles come close to the point where a hard-sphere interaction takes over. These findings contribute to the fundamental understanding of the structure and space-filling constraints in the complexation-driven self-assemblies and advance the rational design of cationic polymer-based nonviral gene delivery vectors.
GET-Solar (Generation forecasting and parameter Estimation Tool for Solar) [SWR-20-115]
GET-Solar (Generation forecasting and parameter Estimation Tool for Solar) can be used to estimate behind the meter (BTM) solar generation from limited datasets. Using distributed sets of diverse solar sites, but with close spatial proximity, and/or limited historical PV generation information can be used to generate of solar profiles. This is useful for applications where partial solar generation data is available, and on-site irradiance data is not available. GET-Solar calculates PV technical data parameters and calculates output by modeling shading and cloud cover impacts. Clear sky irradiance profiles are used to calculate base generation profiles on which the local shading and cloud cover layers are added. In order to arrive at clear sky generation data, PV mounting information like panel tilt and and angle is needed. For cases where PV mounting information is missing, panel tilt and azimuth angle can be estimated using a non-linear optimization algorithm. GET-Solar can also be used for forecasting applications where historical PV data is available to estimate local shading at various solar positions. This overall framework can be used for estimation of solar parameters, and assisting in analyzing and modeling diverse sets of DER where solar generation is also present in utility meter data. GET-Solar has been developed in Python and uses the Pyomo optimization language.
"Sintering" Models and In-Situ Experiments: Data Assimilation for Microstructure Prediction in SLS Additive Manufacturing of Nylon Components
Selective laser sintering methods are workhorses for additively manufacturing polymer-based components. The ease of rapid prototyping also means it is easy to produce illicit components. It is necessary to have a data-calibrated in-situ physical model of the build process in order to predict expected and defective microstructure characteristics that inform component provenance. Toward this end, sintering models are calibrated and characteristics such as component defects are explored. This is accomplished by assimilating multiple data streams, imaging analysis, and computational model predictions in an adaptive Bayesian parameter estimation algorithm. From these data sources, along with a phase-field model, bulk porosity distributions are inferred. Model parameters are constrained to physically-relevant search directions by sensitivity analysis, and then matched to predictions using adaptive sampling. Using this feedback loop, data-constrained estimates of sintering model parameters along with uncertainty bounds are obtained.
Statistically-informed deep learning for gravitational wave parameter estimation
We introduce deep learning models to estimate the masses of the binary components of black hole mergers, $(m_1,m_2)$, and three astrophysical properties of the post-merger compact remnant, namely, the final spin, $a_\mathrm f$, and the frequency and damping time of the ringdown oscillations of the fundamental $\ell = m = 2$ bar mode, $(\omega_\mathrm R, \omega_\mathrm I)$. Our neural networks combine a modified WaveNet architecture with contrastive learning and normalizing flow. We validate these models against a Gaussian conjugate prior family whose posterior distribution is described by a closed analytical expression. Upon confirming that our models produce statistically consistent results, we used them to estimate the astrophysical parameters $(m_1,m_2, a_\mathrm f, \omega_\mathrm R, \omega_\mathrm I)$ of five binary black holes: GW150914, GW170104, GW170814, GW190521 and GW190630. We use PyCBC Inference to directly compare traditional Bayesian methodologies for parameter estimation with our deep learning based posterior distributions. Our results show that our neural network models predict posterior distributions that encode physical correlations, and that our data-driven median results and 90% confidence intervals are similar to those produced with gravitational wave Bayesian analyses. This methodology requires a single V100 NVIDIA GPU to produce median values and posterior distributions within two milliseconds for each event. Furthermore, this neural network, and a tutorial for its use, are available at the Data and Learning Hub for Science.
Low Temperature Geothermal Play Fairway Analysis For The Appalachian Basin: Phase 1 Revised Report November 18, 2016
Geothermal energy is an attractive sustainable energy source. Yet project developers need confirmation of the resource base to warrant their time and financial resources. The Geothermal Play Fairway Analysis of the Appalachian Basin evaluated risk metrics that communicate the favorability of potential low-temperature geothermal energy resources in reservoirs more than 1000 m below the surface. This analysis is focused on the direct use of the heat, rather than on electricity production. Four risk factors of concern for direct-use geothermal plays in the Appalachian Basin portions of New York, Pennsylvania, and West Virginia are examined individually, and then in combination: 1) thermal resource quality, 2) natural reservoir quality, 3) induced seismicity, and 4) utilization opportunities. Uncertainty in the risk estimation is quantified. Based on these metrics, geothermal plays in the Appalachian Basin were identified as potentially viable for a variety of direct-use-heat applications. The methodologies developed in this project may be applied in other sedimentary basins as a foundation for low temperature (50-150 °C), direct use geothermal resource, risk, and uncertainty assessment. Three methods with which to combine the four risk factors were used. Among these, the averaging of the individual risk factors indicates the most favorable counties within the study area are the West Virginia counties of Monongalia, Harrison, Lewis (dubbed the Morgantown–Clarksburg play fairway), Putnam, and Kanawha (Charleston play fairway), the New York counties of Chemung and Steuben plus adjacent Bradford county in Pennsylvania (Corning–Ithaca play fairway), and the Pennsylvania counties of Mercer, Crawford, Erie, and Warren, and adjacent Chautauqua county in New York (together, the Meadville–Jamestown play fairway). These higher priority regions are surrounded by broader medium priority zones. Also worthy of additional exploration is a broad region near Pittsburgh Pennsylvania, for which the available geological data are insufficient to fully analyze the geological risks but yet the population is high. First, to assess the spatial variation in the depth to which one would need to drill to obtain geothermal temperatures that are useful to a future project, the project used bottom-hole temperature data from Appalachian Basin oil and gas exploration. These bottom hole temperature data are abundant but of low quality. Second, the project examined the potential for sufficient water flow rates through rocks to harvest heat from a geothermal well field, considering only natural reservoirs. This analysis provides a very incomplete picture of spatial variability of natural reservoirs because the oil and gas reservoir data lack key properties and are spatially biased toward those locations with profitable amounts of hydrocarbons in the rock pore spaces. Third, in light of the fact that earthquake activity has been induced in several states by subsurface work related to the oil and gas industry, this project examined the potential for similar activity in the Appalachian Basin. Acknowledging that data for such a task are insufficient, we utilized what was available: records of seismic activity, regional estimates of the orientations of stress in the rocks, and locations and orientations of zones of lateral change in rock properties at depths down to several kilometers below Earth’s surface. With these data, we created a first approximation of spatially variable risks for induced earthquakes. Because no data existed with which to test the reliability of these methods, the results have a high degree of uncertainty. Fourth, we examined the spatial variability of the above-the-ground factors that contribute to the economical viability of projects to tap low-temperature geothermal resources for direct-use. We worked principally with population density as a regionally known variable that would impact the cost of district heating. The resulting maps omit the costs of producing the hot water from the ground, because the below-ground costs are directly coupled to the thermal resource risk factor and natural reservoir risk factor – later analyses of those costs will be needed. The result of the district heating analysis is highly skewed: few census locations yielded a low estimated surface cost. The team also identified more than 165 prospects for high value direct-use geothermal energy opportunities such as industrial sites, university campuses, and federal facilities, among others. At the closure of this regional analysis, the most significant technical uncertainties are 1) reservoir distribution and capacities; 2) validity of thermal resource maps, and 3) the holistic estimation of Levelized Cost of Heat for favorable geological situations.
Solar wind charge exchange contribution to the ROSAT all sky survey maps
DXL (Diffuse X-ray emission from the Local Galaxy) is a sounding rocket mission designed to estimate the contribution of solar wind charge eXchange (SWCX) to the diffuse X-ray background and to help determine the properties of the Local Hot Bubble. The detectors are large area thin-window proportional counters with a spectral response that is similar to that of the PSPC used in the ROSAT All Sky Survey (RASS). A direct comparison of DXL and RASS data for the same part of the sky viewed from quite different vantage points in the solar system, and the assumption of approximate isotropy for the solar wind, allowed us to quantify the SWCX contribution to all six RASS bands (R1–R7, excluding R3). We find that the SWCX contribution at l=140{sup ∘},b=0{sup ∘}, where the DXL path crosses the Galactic plane, is 33%±6%(statistical)±12%(systematic) for R1, 44%±6%±5% for R2, 18%±12%±11% for R4, 14%±11%±9% for R5, and negligible for the R6 and R7 bands. Reliable models for the distribution of neutral H and He in the solar system permit estimation of the contribution of interplanetary SWCX emission over the the whole sky and correction of the RASS maps. We find that the average SWCX contribution in the whole sky is 26%±6%±13% for R1, 30%±4%±4% for R2, 8%±5%±5% for R4, 6%±4%±4% for R5, and negligible for R6 and R7.
VST ATLAS galaxy cluster catalogue I: cluster detection and mass calibration
Taking advantage of ∼4700 deg 2 optical coverage of the Southern sky offered by the VST ATLAS survey, we construct a new catalogue of photometrically selected galaxy groups and clusters using the orca cluster detection algorithm. The catalogue contains ∼22 000 detections with N 200 > 10 and ∼9000 with N 200 > 20. We estimate the photometric redshifts of the clusters using machine learning and find the redshift distribution of the sample to extend to z ∼ 0.7, peaking at z ∼ 0.25. We calibrate the ATLAS cluster mass-richness scaling relation using masses from the MCXC, Planck, ACT DR5, and SDSS redMaPPer cluster samples. We estimate the ATLAS sample to be > 95 per cent complete and > 85 per cent pure at z < 0.35 and in the M 200m >1 x 10 14 h -1 M ⊙ mass range. At z < 0.35, we also find the ATLAS sample to be more complete than redMaPPer, recovering a ~ 40 per cent higher fraction of Abell clusters. This higher sample completeness places the amplitude of the z < 0.35 ATLAS cluster mass function closer to the predictions of a ΛCDM model with parameters based on the Planck CMB analyses, compared to the mass functions of the other cluster samples. However, strong tensions between the observed ATLAS mass functions and models remain. We shall present a detailed cosmological analysis of the ATLAS cluster mass functions in paper II. In the future, optical counterparts to X-ray-detected eROSITA clusters can be identified using the ATLAS sample. The catalogue is also well suited for auxiliary spectroscopic target selection in 4MOST. The ATLAS cluster catalogue is publicly available at http://astro.dur.ac.uk/cosmology/vstatlas/cluster_catalogue/.
Development of Waste Inventory for Probabilistic Performance Assessment Modeling - 19361
Estimation of radioactive waste inventory is a key initial step in the development of an environmental fate and transport model for performance assessment (PA) of radioactive waste sites. PA model output is often sensitive to parameters that represent inventory as a source term, yet estimation is a difficult problem. Inventory estimation for a probabilistic performance assessment (PPA) is related to, but distinct from, that performed for waste excavation, characterization, and offsite disposal. The latter appropriately focuses on obtaining the most detailed information possible on specific hazards and locations; however, these questions cannot be fully answered without intrusive site characterization efforts. This type of characterization is often not feasible when assembling information regarding a source term in a PPA model. Development of waste inventory for a PPA is one piece of a larger hierarchical model. The physical process model represented by Goldsim computer code represents one level of the hierarchy, and the second level of the hierarchy involves estimation of inputs such as inventory, transport, and risk parameters. The estimation of inputs is not a straightforward problem. The parameters of a computer model often do not have an equivalence to the physical quantities they describe, and estimation of the physical quantities themselves can be difficult due to limitations of available information. Inventory information for the West Valley Site in upstate New York is based on data from historical shipping and disposal forms. In the 1990's, the West Valley Demonstration Project (WVDP) compiled information from existing databases and historical waste records into one complete modern database. A conceptual model was then applied and used with recorded information to characterize the waste mass and radionuclide composition for each waste burial. Information was ultimately aggregated over all waste records to estimate the mass of each radionuclide within each trench, hole, or caisson. Three decades later, we revisit the master database, make updates with newly-identified information, and incorporate the conceptual model previously used for inventory estimation in the hierarchical modeling framework. We characterize uncertainty using probability distributions for waste mass and radionuclide composition at the individual shipment or individual burial level. Uncertainty incorporated at the lowest level of the hierarchy is ultimately carried through to uncertainty in PPA model endpoints. Sensitivity analysis of early model results is then applied to identify influential inputs and guide subsequent efforts towards parameters that drive risk. (authors)
Quantum-Inspired Power System Reliability Assessment
To enable an in-depth study of power system operation and planning, the assessment of standard reliability indices is inevitable. The Monte Carlo Simulation (MCS) approach is a broadly used method in replacing the analytical methods in reliability indices assessment. The accuracy of MCS, however, highly depends on the sampling size, and hence, a complicated system with large number of components requires a large sampling size and daunting computational effort. To address this shortcoming, we, in this paper attempt to take advantage of potentials of the quantum computing (QC) for power system reliability assessment by realizing the following contributions: 1) an innovative quantum model designed for reliability assessment; 2) a quantum circuit that achieves the quadratic speed up compared to the classical MCS method; 3) an efficient quantum amplitude estimation (QAE) algorithm to accurately evaluate the reliability indices. The accuracy and efficacy of the quantum reliability method are extensively verified and demonstrated on both radial and mesh distribution systems.
Information content of spatially distributed ground-based measurements for hydrologic-parameter calibration in mixed rain-snow mountain headwaters
Parameters in hydrologic models used in mixed rain-snow regions are often uncertain to calibrate and overfitted on streamflow. To contribute addressing these challenges, we used an algorithm that assesses modeling performances through time (Dynamic Identifiability Analysis) to quantify the information content of spatially distributed ground-based measurements for identifying optimal parameter values in the Precipitation Runoff Modeling System (PRMS) model. Including spatially distributed ground-based measurements in Identifiability Analysis allowed us to unambiguously estimate more parameter values than only using streamflow (seven parameters instead of two out of a pool of thirty-three). Peaks in information gain were obtained when using dew-point temperature to identify precipitation phase-partitioning parameters. Multi-attribute identifiability analysis also yielded optimal parameter values that were temporally less variable than those estimated using streamflow alone. Overall, identifying parameter values using ground-based measurements improved the simulation of key drivers of the surface-water budget, such as air temperature and precipitation-phase partitioning. However, parameters simulating surface-to-subsurface mass fluxes like snow accumulation and melt or evapotranspiration were poorly identified by any attribute and so emerged as key sources of predictive uncertainty for this distributed-parameter hydrologic model. In conclusion, this work demonstrates the value of expanded ground-based measurements for identifying parameters in distributed-parameter hydrologic models and so diagnosing their conceptual uncertainty across the water budget.
Distributed data management on Belle II
The Belle II experiment started taking physics data in April 2018 with an estimated total volume of all files including raw events, Monte-Carlo and skim statistics of 340 petabytes expected by the end of operations in the late-2020s. Originally designed as a fully integrated component of the BelleDIRAC production system, the Belle II distributed data management (DDM) software needs to manage data across about 29 storage elements worldwide for a collaboration of nearly 1000 physicists. By late 2018, this software required significant performance improvements to meet the requirements of physics data taking and was seriously lacking in automation. Rucio, the DDM solution created by ATLAS, was an obvious alternative but required tight integration with BelleDIRAC and a seamless yet non-trivial migration. This contribution describes the work done on both DDM options, the current status of the software running successfully in production and the problems associated with trying to balance long-term operations cost against short term risk. .
Determination of nuclear PDFs using Markov chain Monte Carlo methods
Global QCD analyses of nuclear parton distribution functions (nPDFs) have traditionally relied on the Hessian method for uncertainty estimation. However, the inherent Gaussian approximation and reliance on local curvature often prove insufficient for nPDF fits, which are frequently characterized by limited data constraints and non-Gaussian likelihoods. In this paper, we present the first nPDF determination based on Markov Chain Monte Carlo (MCMC) techniques, implemented within the nCTEQ framework using an adaptive Metropolis-Hastings algorithm. The MCMC approach enables a direct mapping of the posterior distribution and reveals a highly nontrivial parameter-space structure, including multiple modes and pronounced non-Gaussian behavior, particularly for the valence PDFs. We perform the first single-nucleus global analysis of lead PDFs using exclusively lead data and compare it to a multi-nuclei fit employing a standard analytic A dependence. The inclusion of lighter nuclei reduces quark uncertainties and modifies the shape of the lead PDFs, while leaving the gluon distribution largely unaffected. A complementary Hessian analysis exposes systematic limitations of the Gaussian approximation. Our results demonstrate that MCMC methods provide a more reliable framework for uncertainty quantification in nPDF determinations.