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At least 973 records · Page 54

Adaptive Bayesian Inference for Prediction

Performing rigorous predictive simulation necessitates that all available data be incorporated into the modeling process in order to accurately quantify uncertainties in predictions of the model. Statistical Bayesian inference is the most commonly used approach for incorporating data into uncertainty estimates. Statistical Bayesian inference uses data and an assumed error model to inform posterior distributions of model input variables and model discrepancies. An explicit characterization of the posterior distribution is not formed, but rather methods such as Markov chain Monte-Carlo (MCMC) are used to draw samples from the posterior. These samples are then used to evaluate statistics, such as integrals, of predicted quantities of interest (QoI). Recently the authors have developed an alternative reformulation of Bayesian inference based upon a measure-theoretic inversion technique. Unlike traditional statistical Bayesian inference, this reformulation allows us to directly interrogate the posterior distribution and, consequently, to generate samples from the posterior without MCMC. In this work we use forward propagation uncertainty quantification techniques to reduce the cost of approximating the posterior distribution. Specifically we investigate goal-oriented adaptive sparse grid approximation methods. These adaptive methods concentrate high-fidelity model evaluations in regions of the parameter space that both significantly contribute to the uncertainty in specified QoI and are informed by the available data. Numerical results are presented to compare our approach with the standard statistical Bayesian approach and to demonstrate the effectiveness of the goal-oriented adaptivity.

97 MATHEMATICS AND COMPUTING↗

CoDCon Dynamic Modeling.

The Co-Decontamination (CoDCon) Demonstration project is designed to test the separation of a mixed U and Pu product from dissolved spent nuclear fuel. The primary purpose of the project is to quantify the accuracy and precision to which a U/Pu mass ratio can be achieved without removing a pure Pu product. The system includes an on-line monitoring system using spectroscopy to monitor the ratios throughout the process. A dynamic model of the CoDCon flowsheet and on-line monitoring system was developed in order to expand the range of scenarios that can be examined for process control and determine overall measurement uncertainty. The model development and initial results are presented here.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SSHAC Level 1 Probabilistic Seismic Hazard Analysis for the Idaho National Laboratory

A Probabilistic Seismic Hazard Analysis (PSHA) was completed for the Materials and Fuels Complex (MFC), Advanced Test Reactor (ATR), and Naval Reactors Facility (NRF) at the Idaho National Laboratory (INL). The PSHA followed the approaches and procedures for Senior Seismic Hazard Analysis Committee (SSHAC) Level 1 study and included a Participatory Peer Review Panel (PPRP) to provide the confident technical basis and mean-centered estimates of the ground motions. A new risk-informed methodology for evaluating the need for an update of an existing PSHA was developed as part of the Seismic Risk Assessment (SRA) project. To develop and implement the new methodology, the SRA project elected to perform two SSHAC Level 1 PSHAs. The first was for the Fuel Manufacturing Facility (FMF), which is classified as a Seismic Design Category (SDC) 3 nuclear facility. The second was for the ATR Complex, which has facilities classified as SDC-4. The new methodology requires defensible estimates of ground motion levels (mean and full distribution of uncertainty) for its criteria and evaluation process. The INL SSHAC Level 1 PSHA demonstrates the use of the PPRP, evaluation and integration through utilization of a small team with multiple roles and responsibilities (four team members and one specialty contractor), and the feasibility of a short duration schedule (10 months). Additionally, a SSHAC Level 1 PSHA was conducted for NRF to provide guidance on the potential use of a design margin above rock hazard levels for the Spent Fuel Handling Recapitalization Project (SFHP) process facility.

58 GEOSCIENCES↗

Load Forecasting in Electric Utility Integrated Resource Planning

Integrated resource planning (IRP) is a process used by many vertically-integrated U.S. electric utilities to determine least-cost/risk supply and demand-side resources that meet government policy objectives and future obligations to customers and, in many cases, shareholders. Forecasts of energy and peak demand are a critical component of the IRP process. There have been few, if any, quantitative studies of IRP long-run (planning horizons of two decades) load forecast performance and its relationship to resource planning and actual procurement decisions. In this paper, we evaluate load forecasting methods, assumptions, and outcomes for 12 Western U.S. utilities by examining and comparing plans filed in the early 2000s against recent plans, up to year 2014. We find a convergence in the methods and data sources used. We also find that forecasts in more recent IRPs generally took account of new information, but that there continued to be a systematic over-estimation of load growth rates during the period studied. We compare planned and procured resource expansion against customer load and year-to-year load growth rates, but do not find a direct relationship. Load sensitivities performed in resource plans do not appear to be related to later procurement strategies even in the presence of large forecast errors. These findings suggest that resource procurement decisions may be driven by other factors than customer load growth. Our results have important implications for the integrated resource planning process, namely that load forecast accuracy may not be as important for resource procurement as is generally believed, that load forecast sensitivities could be used to improve the procurement process, and that management of load uncertainty should be prioritized over more complex forecasting techniques.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Application and Interpretation of Acumen Risk ® Schedule and Cost Risk Analysis

Schedule risk and cost risk analyses use statistical techniques to predict a level of confidence in meeting a program’s completion date and cost. This paper describes how to interpret key Schedule Risk Analysis (SRA) and Cost Risk Analysis (CRA) results to determine the likelihood that the program completion dates are met, how much management reserve (MR) is needed to provide the acceptable certainty of completion by a specific date, and the risks and activities that are most likely to delay or add cost to a project. The combined process is often called a Schedule/Cost Uncertainty and Risk Analysis or “SCURA.”

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

ENDF/B-VIII.0 Augmented Covariance Data The first iteration [Slides]

Nuclear data are necessary for reliable modeling and simulation of the next generation of nuclear reactors. However, the variation in the ratio of the computed to experimental values (C/E) for certain types of nuclear systems is much less than predicted by evaluated nuclear data file (ENDF)/B covariances. Figure 1 provides an example of a set of metal-plutonium-fueled, fast-spectrum (PU-MET-FAST) integral experiments from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) in the Oak Ridge National Laboratory (ORNL) VALID database. The variation in the C/E values, shown with one standard deviation error bars, is 100% covered by both the SCALE and ENDB/VIII.0 covariance data. This is due to the comparisons to integral data that are essential during the evaluation process. However, the ENDF evaluations represent uncertainties and correlations in differential data only; they do not reflect the impact of the comparison to integral data in the covariance evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ENDF/B-VIII.0 Augmented Covariance Data The first iteration [Slides]

Nuclear data are necessary for reliable modeling and simulation of the next generation of nuclear reactors. However, the variation in the ratio of the computed to experimental values (C/E) for certain types of nuclear systems is much less than predicted by evaluated nuclear data file (ENDF)/B covariances. Figure 1 provides an example of a set of metal-plutonium-fueled, fast-spectrum (PU-MET-FAST) integral experiments from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) in the Oak Ridge National Laboratory (ORNL) VALID database. The variation in the C/E values, shown with one standard deviation error bars, is 100% covered by both the SCALE and ENDB/VIII.0 covariance data. This is due to the comparisons to integral data that are essential during the evaluation process. However, the ENDF evaluations represent uncertainties and correlations in differential data only; they do not reflect the impact of the comparison to integral data in the covariance evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Tokamak Disruption Simulation (Final Technical Report)

This was a multi-institutional project concerned with simulation of tokamak disruption – rapid termination of the plasma and confining magnetic field in a tokamak fusion reactor – with the aim of quantifying the physics associated with disruption mitigation. The PI’s role is as one of a group of computational scientists concerned with development of effective solution algorithms for the underlying models of magnetohydrodynamics and transport that represent the physical processes, and to develop techniques of uncertainty quantification for treating unknown aspects of the model such as boundary conditions and effects of impurities in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evaluation of Use Cases and Types of Databases for Hosting Wind Power Data

The goal of the National Wind Power Production Data Dashboard project is to develop a publicly available platform to model, process, and share wind power with uncertainty quantification for the current and future onshore and offshore wind plants across the continental United States. As of 2021, more than 70,000 utility-scale wind turbines have been installed across the United States and this number is expected to grow in the next few years. A large-scale wind power production database is needed for stakeholders (policy makers, operators, and researchers) to access easily for their decision-making. Currently, meeting that need is a challenge. Most wind power operators and system operators focus on regions of their own interest, and the data are usually inaccessible to the public.

17 WIND ENERGY↗

FY24 Progress Report on Viscosity and Thermal Conductivity Measurements of Nuclear Industry Relevant Chloride Salts: An Experimental and Computational Study

As presented in this report, experimental and computational techniques were performed to assess the viscosity and thermal conductivity of key alkali and actinide chloride mixtures for molten salt reactor developers. These mixtures were pure LiCl, NaCl-KCl, LiCl-NaCl, LiCl-KCl, LiCl-NaCl-KCl, and NaCl-UCl 3 . Experimental measurements of viscosity were performed with a rolling ball viscometer, whereas experimental measurements of thermal conductivity were performed with a variable gap apparatus. Additional benchmarking work was performed using both property measurement systems to prepare for x-ray radiography in stainless-steel crucibles for viscosity and to ensure that calibration methods were accurate for thermal conductivity before assessing the NaCl-UCl 3 system. Validation data for the NaCl-UCl 3 in literature are minimal. Details on the calibration methods, salt measurement processes, and sources of error and uncertainty are discussed in detail for both property measurements. The computational methods described herein involved ab-initio molecular dynamics (AIMD) calculations using CP2K. The calculations were performed for the LiCl-KCl-NaCl and NaCl-UCl 3 systems. These calculations not only provided thermophysical property estimations for comparison to experimental data, but they also allowed for the determination of diffusion coefficients, coordination numbers, and radial distribution functions to provide insight into ion mobility and local coordination environments, which is linked to macroscopic property trends.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Advancing Agrivoltaic Modeling With ADAM

Designing an agrivoltaic system presents a complex set of tradeoffs around PV system configuration, resulting performance, agricultural needs, and system economics. Developing tools for agrivoltaic analysis can assist system designers when making decisions related to these tradeoffs. We are developing the Agrivoltaics Design and Analysis Model (ADAM) as a free, publicly available web tool for agrivoltaics economics analysis. Features of ADAM include automated calculations for available agrivoltaic cropland, user-friendly configuration changes, inter-row irradiance calculations, and integrated economic modeling of energy and non-energy revenues. We will discuss the iterative process of agrivoltaic tool development including tradeoffs between accuracy and uncertainty, feature prioritization, and ease of use driven by our multi-disciplinary stakeholder design process. Finally, we will share modeling results from existing agrivoltaics systems as a preliminary case study.

14 SOLAR ENERGY↗

AI Meets Exascale Computing: Advancing Cancer Research With Large-Scale High Performance Computing

The application of data science in cancer research has been boosted by major advances in three primary areas: (1) Data: diversity, amount, and availability of biomedical data; (2) Advances in Artificial Intelligence (AI) and Machine Learning (ML) algorithms that enable learning from complex, large-scale data; and (3) Advances in computer architectures allowing unprecedented acceleration of simulation and machine learning algorithms. These advances help build in silico ML models that can provide transformative insights from data including: molecular dynamics simulations, next-generation sequencing, omics, imaging, and unstructured clinical text documents. Unique challenges persist, however, in building ML models related to cancer, including: (1) access, sharing, labeling, and integration of multimodal and multi-institutional data across different cancer types; (2) developing AI models for cancer research capable of scaling on next generation high performance computers; and (3) assessing robustness and reliability in the AI models. In this paper, we review the National Cancer Institute (NCI) -Department of Energy (DOE) collaboration, Joint Design of Advanced Computing Solutions for Cancer (JDACS4C), a multi-institution collaborative effort focused on advancing computing and data technologies to accelerate cancer research on three levels: molecular, cellular, and population. This collaboration integrates various types of generated data, pre-exascale compute resources, and advances in ML models to increase understanding of basic cancer biology, identify promising new treatment options, predict outcomes, and eventually prescribe specialized treatments for patients with cancer.

60 APPLIED LIFE SCIENCES↗

Radioactivity and thermalization in the ejecta of compact object mergers and their impact on kilonova light curves

One promising electromagnetic signature of compact object mergers are kilonovae: approximately isotropic radioactively powered transients that peak days to weeks post-merger. Key uncertainties in kilonova modeling include the emission profiles of the radioactive decay products—non-thermal β-particles, α-particles, fission fragments, and γ-rays—and the efficiency with which their kinetic energy is absorbed by the ejecta. The radioactive energy emitted, along with its thermalization efficiency, sets the luminosity budget and is therefore crucial for predicting kilonova light curves. We outline uncertainties in the radioactivity, describe the processes by which the decay products transfer energy to the ejecta, and calculate time-dependent thermalization efficiencies for each particle type. We determine the net thermalization efficiency and explore its dependence on r-process yields—in particular, the production of α-decaying translead nuclei—and on ejecta mass, velocity, and magnetic fields. We incorporate our results into detailed radiation transport simulations, and calculate updated kilonova light curve predictions. Thermalization effects reduce kilonova luminosities by a factor of roughly 2 at peak, and by an order of magnitude at later times (15 days or more after explosion). We present analytic fits to time-dependent thermalization efficiencies, which can be used to improve light curve models. We revisit the putative kilonova that accompanied gamma-ray burst 130603B, and estimate the mass ejected in that event. We find later time kilonova light curves can be significantly impacted by α-decay from translead isotopes; data at these times may therefore be diagnostic of ejecta abundances.

79 ASTRONOMY AND ASTROPHYSICS↗

On the Stability Analysis of Astrophysical Cooling Functions

To model the temperature evolution of optically thin astrophysical environments at MHD scales, radiative and collisional cooling rates are typically either pretabulated or fit into a functional form and then input into MHD codes as a radiative loss function. Thermal balance requires estimates of the analogous heating rates, which are harder to calculate, and due to uncertainties in the underlying dissipative heating processes these rates are often simply parameterized. The resulting net cooling function defines an equilibrium curve that varies with density and temperature. Such cooling functions can make the gas prone to thermal instability (TI), which will cause departures from equilibrium. There has been no systematic study of thermally unstable parameter space for nonequilibrium states. Motivated by our recent finding that there is a related linear instability, catastrophic cooling instability, that can dominate over TI, here we carry out such a study. We show that Balbus instability criteria for TI can be used to define a critical cooling rate, Λ c , that permits a nonequilibrium analysis of cooling functions through the mapping of TI zones. We furthermore illustrate how thermal conduction modifies the shape of TI zones. Upon applying a Λ c -based stability analysis to coronal loop simulations, we find that loops undergoing periodic episodes of coronal rain formation are linearly unstable to catastrophic cooling instability, while TI is stabilized by thermal conduction.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulating Gamma-Ray Emission in Star-forming Galaxies

Star-forming galaxies emit GeV and TeV gamma-rays that are thought to originate from hadronic interactions of cosmic-ray (CR) nuclei with the interstellar medium. To understand the emission, we have used the moving-mesh code Arepo to perform magnetohydrodynamical galaxy formation simulations with self-consistent CR physics. Our galaxy models exhibit a first burst of star formation that injects CRs at supernovae. Once CRs have sufficiently accumulated in our Milky Way–like galaxy, their buoyancy force overcomes the magnetic tension of the toroidal disk field. As field lines open up, they enable anisotropically diffusing CRs to escape into the halo and to accelerate a bubble-like, CR-dominated outflow. However, these bubbles are invisible in our simulated gamma-ray maps of hadronic pion-decay and secondary inverse-Compton emission because of low gas density in the outflows. By adopting a phenomenological relation between star formation rate (SFR) and far-infrared emission and assuming that gamma-rays mainly originate from decaying pions, our simulated galaxies can reproduce the observed tight relation between far-infrared and gamma-ray emission, independent of whether we account for anisotropic CR diffusion. This demonstrates that uncertainties in modeling active CR transport processes only play a minor role in predicting gamma-ray emission from galaxies. We find that in starbursts, most of the CR energy is “calorimetrically” lost to hadronic interactions. In contrast, the gamma-ray emission deviates from this calorimetric property at low SFRs due to adiabatic losses, which cannot be identified in traditional one-zone models.

79 ASTRONOMY AND ASTROPHYSICS↗

Indirect climate impacts of the Hunga eruption

Injection of sulfur and water vapour by the Hunga volcanic eruption significantly altered chemical composition and radiative budget of the stratosphere. Yet, whether the eruption could also affect surface climate, especially via indirect pathways, remains poorly understood. Here we investigate these effects using large ensembles of simulations with the CESM2(WACCM6) Earth system model, incorporating interactive chemistry and aerosols in both coupled ocean and atmosphere-only configurations. We find some statistically significant extratropical regional climate responses to the eruption driven by circulation changes; these are partially linked to the modulation of El Niño–Southern Oscillation, and its associated teleconnections, and to perturbations of the stratospheric polar vortex in both hemispheres. The stratospheric anomalies affect surface climate through modulating the North Atlantic Oscillation in the Northern Hemisphere (up to three boreal winters following the eruption) and the Southern Annular Mode in the Southern Hemisphere in late 2023. The latter is partly related to a concurrent reduction in Antarctic ozone, as increased stratospheric aerosols and water vapor reach the polar vortex. Our study suggests that the eruption could have had a non-negligible influence on regional surface climate, and discusses the mechanisms via which such an influence could occur. However, the results also highlight that this forcing is relatively weak compared to interannual variability, and is subject to model uncertainties in the representation of key processes. More research is thus needed before definitive statements on the role of the eruption in contributing to surface climate and weather events in the following years are made.

Geosciences↗

A new method for operating a continuous flow diffusion chamber to investigate immersion freezing: assessment and performance study

Glaciation in mixed-phase clouds predominately occurs through the immersion freezing mode where ice nucleating particles (INPs) immersed within supercooled droplets induce nucleation of ice. Currently, model representations of this process are a large source of uncertainty in simulating cloud radiative properties, and to constrain these estimates, continuous flow diffusion chamber (CFDC)-style INP devices are commonly used to assess the immersion freezing efficiencies of INPs. In this study, a new approach was explored to operating such an ice chamber that provides maximum activation of particles without droplet breakthrough and correction factor ambiguity to obtain high-quality INP measurements in a manner that has not been demonstrated as possible previously. The conditioning section of the chamber was maintained at ~ –20 °C and water relative humidity (RH w ) ~ 113 % conditions to maximize the droplet activation, and the droplets were supercooled with an independently temperature-controlled nucleation section at a steady cooling rate (0.5 °C min –1 ) to induce the freezing of droplets and evaporation of unfrozen droplets. The performance of the modified ice chamber was evaluated using four INP species: K-feldspar, illite-NX, Argentinian soil dust, and airborne arable dust that had shown ice nucleation over a wide span of supercooled temperatures. Dry dispersed and size-selected K-feldspar particles were generated in the laboratory. Illite-NX and soil dust particles were sampled during the second phase of the Fifth International Ice Nucleation Workshop (FIN-02) campaign, and airborne arable dust particles were sampled from the aerosol inlet located on the rooftop of the laboratory. The measured ice nucleation efficiencies of model aerosols with a surface active site density (n s ) metric were higher, but mostly agreed within one order of magnitude compared to literature results.

54 ENVIRONMENTAL SCIENCES↗

Disentangling the hydrological and hydraulic controls on streamflow variability in Energy Exascale Earth System Model (E3SM) V2 – a case study in the Pantanal region

Abstract. Streamflow variability plays a crucial role in shaping the dynamics and sustainability of Earth's ecosystems, which can be simulated and projected by a river routing model coupled with a land surface model. However, the simulation of streamflow at large scales is subject to considerable uncertainties, primarily arising from two related processes: runoff generation (hydrological process) and river routing (hydraulic process). While both processes have impacts on streamflow variability, previous studies only calibrated one of the two processes to reduce biases in the simulated streamflow. Calibration focusing only on one process can result in unrealistic parameter values to compensate for the bias resulting from the other process; thus other water-related variables remain poorly simulated. In this study, we performed several experiments with the land and river components of the Energy Exascale Earth System Model (E3SM) over the Pantanal region to disentangle the hydrological and hydraulic controls on streamflow variability in coupled land–river simulations. Our results show that the generation of subsurface runoff is the most important factor for streamflow variability contributed by the runoff generation process, while floodplain storage effect and main-channel roughness have significant impacts on streamflow variability through the river routing process. We further propose a two-step procedure to robustly calibrate the two processes together. The impacts of runoff generation and river routing on streamflow are appropriately addressed with the two-step calibration, which may be adopted by developers of land surface and earth system models to improve the modeling of streamflow.

54 ENVIRONMENTAL SCIENCES↗