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At least 1,297 records · Page 72

Analysis of Cloud-Resolving Model Simulations for Scale Dependence of Convective Momentum Transport

Abstract We use 3D cloud-resolving model (CRM) simulations of two mesoscale convective systems at midlatitudes and a simple statistical ensemble method to diagnose the scale dependency of convective momentum transport (CMT) and CMT-related properties and evaluate a parameterization scheme for the convection-induced pressure gradient (CIPG) developed by Gregory et al. Gregory et al. relate CIPG to a constant coefficient multiplied by mass flux and vertical mean wind shear. CRM results show that mass fluxes and CMT exhibit strong scale dependency in temporal evolution and vertical structure. The upgradient–downgradient CMT characteristics for updrafts are generally similar between small and large grid spacings, which is consistent with previous understanding, but they can be different for downdrafts across wide-ranging grid spacings. For the small to medium grid spacings (4–64 km), Gregory et al. reproduce some aspects of CIPG scale dependency except for underestimating the variations of CIPG as grid spacing decreases. However, for large grid spacings (128–512 km), Gregory et al. might even less adequately parameterize CIPG because it omits the contribution from either the nonlinear-shear or the buoyancy forcings. Further diagnosis of CRM results suggests that inclusion of nonlinear-shear forcing in Gregory et al. is needed for the large grid spacings. For the small to median grid spacings, a modified Gregory et al. with the three-updraft approach help better capture the variations of CIPG as grid spacing decreases compared to the single updraft approach. Further, the optimal coefficients used in Gregory et al. seem insensitive to grid spacings, but they might be different for updrafts and downdrafts, for different MCS types, and for zonal and meridional components.

54 ENVIRONMENTAL SCIENCES↗

Investigating Aerosol and Meteorological Influences on Convective Clouds in Houston, Texas, during the TRACER/ESCAPE Field Campaigns

Aerosols serve as cloud condensation nuclei, shaping the microphysical properties of cloud droplets. Aerosol effects on convective clouds are complex and remain controversial. The debate centers around the process of aerosol-induced invigoration of deep convection, a phenomenon that could significantly affect convective cloud properties but lacks robust evidence due to methodological limitations in observational approaches and questions about the robustness of modeling studies. Resolving these discrepancies is crucial for understanding how aerosols affect the atmosphere. Here, this study examines the effects of meteorological and aerosol parameters in a weakly synoptic-driven convective environment, where the influence of aerosols may be more pronounced and observable. Daily atmospheric soundings and aerosol concentrations from several ground instruments collected during the summer of 2022 in Houston, Texas, as part of the Tracking Aerosol Convection interactions Experiment (TRACER) and Experiment of Sea Breeze Convection, Aerosols, Precipitation, and Environment (ESCAPE) field campaigns are analyzed. Statistical learning methods are applied to uncover the complex relationships between aerosols, meteorology, and convective cloud characteristics, such as cell area and echo-top height. The findings reveal that higher aerosol concentrations are associated with narrower convective cells, which we argue contradicts the idea of stronger convection with increased aerosol loading. However, once the data are clustered by the synoptic environment, the relationship between aerosol loading and convective cell area diminishes, indicating that the covariablity between synoptic-scale weather patterns, local thermodynamics, and aerosol loading makes it challenging to draw definitive conclusions about the specific impacts of aerosols on convective cloud properties.

54 ENVIRONMENTAL SCIENCES↗

Generalizable, fast, and accurate DeepQSPR with fastprop

Abstract Quantitative Structure–Property Relationship studies (QSPR), often referred to interchangeably as QSAR, seek to establish a mapping between molecular structure and an arbitrary target property. Historically this was done on a target-by-target basis with new descriptors being devised to specifically map to a given target. Today software packages exist that calculate thousands of these descriptors, enabling general modeling typically with classical and machine learning methods. Also present today are learned representation methods in which deep learning models generate a target-specific representation during training. The former requires less training data and offers improved speed and interpretability while the latter offers excellent generality, while the intersection of the two remains under-explored. This paper introduces , a software package and general Deep-QSPR framework that combines a cogent set of molecular descriptors with deep learning to achieve state-of-the-art performance on datasets ranging from tens to tens of thousands of molecules. provides both a user-friendly Command Line Interface and highly interoperable set of Python modules for the training and deployment of feedforward neural networks for property prediction. This approach yields improvements in speed and interpretability over existing methods while statistically equaling or exceeding their performance across most of the tested benchmarks. is designed with Research Software Engineering best practices and is free and open source, hosted at github.com/jacksonburns/fastprop.

Burns, Jackson W. (ORCID:0000000206579426)↗

Uncertainty quantification of calculated temperatures for advanced gas reactor fuel irradiation experiments

This paper presents the quantification of uncertainty of the calculated temperature data for the Advanced Gas Reactor (AGR) fuel irradiation experiments conducted in the Advanced Test Reactor at Idaho National Laboratory in support of the Advanced Reactor Technology Research and Development program. Recognizing uncertainties inherent in physics and thermal simulations of the AGR tests, the results of the numerical simulations are used in combination with statistical analysis methods to improve qualification of measured data. The temperature simulation data for AGR tests are also used for validation of the fission product transport and fuel performance simulation models. These crucial roles of the calculated fuel temperatures in ensuring achievement of the AGR experimental program objectives require accurate determination of the model temperature uncertainties. To quantify the uncertainty of AGR calculated temperatures, this study identifies and analyzes ABAQUS model parameters of potential importance to the AGR predicted fuel temperatures. The selection of input parameters for uncertainty quantification of the AGR calculated temperatures is based on the ranking of their influences on variation of temperature predictions. Thus, selected input parameters include those with high sensitivity and those with large uncertainty. Propagation of model parameter uncertainty and sensitivity is then used to quantify the overall uncertainty of AGR calculated temperatures. Expert judgment is used as the basis to specify the uncertainty range for selected input parameters. The input uncertainties are dynamic accounting for the effect of unplanned events and changes in thermal properties of capsule components over extended exposure to high temperature and fast neutron irradiation. The sensitivity analysis performed in this work went beyond the traditional local sensitivity. Using experimental design, analysis of pairwise interactions of model parameters was performed to establish sufficiency of the first-order (linear) expansion terms in constructing the response surface. To achieve completeness, uncertainty propagation made use of pairwise noise correlations of model parameters. Furthermore, time-dependent sensitivity over the test campaign duration was obtained using an interpolation scheme over the input parameter domain. This allows computation of uncertainty for the predicted peak fuel temperatures and the predicted graphite temperatures at TC locations over the whole AGR irradiation period.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Considering uncertainties expands the lower tail of maize yield projections

Crop yields are sensitive to extreme weather events. Improving the understanding of the mechanisms and the drivers of the projection uncertainties can help to improve decisions. Previous studies have provided important insights, but often sample only a small subset of potentially important uncertainties. Here we expand on a previous statistical modeling approach by refining the analyses of two uncertainty sources. Specifically, we assess the effects of uncertainties surrounding crop-yield model parameters and climate forcings on projected crop yield. We focus on maize yield projections in the eastern U.S.in this century. We quantify how considering more uncertainties expands the lower tail of yield projections. We characterized the relative importance of each uncertainty source and show that the uncertainty surrounding yield model parameters is the main driver of yield projection uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗

Anatomy of Continuous Mars SEIS and Pressure Data from Unsupervised Learning

The seismic noise recorded by the Interior Exploration using Seismic Investigations, Geodesy, and Heat Transport (InSight) seismometer (Seismic Experiment for Interior Structure [SEIS]) has a strong daily quasi-periodicity and numerous transient microevents, associated mostly with an active Martian environment with wind bursts, pressure drops, in addition to thermally induced lander and instrument cracks. That noise is far from the Earth’s microseismic noise. Quantifying the importance of nonstochasticity and identifying these microevents is mandatory for improving continuous data quality and noise analysis techniques, including autocorrelation. Cataloging these events has so far been made with specific algorithms and operator’s visual inspection. We investigate here the continuous data with an unsupervised deep-learning approach built on a deep scattering network. This leads to the successful detection and clustering of these microevents as well as better determination of daily cycles associated with changes in the intensity and color of the background noise. We first provide a description of our approach, and then present the learned clusters followed by a study of their origin and associated physical phenomena. We show that the clustering is robust over several Martian days, showing distinct types of glitches that repeat at a rate of several tens per sol with stable time differences. We show that the clustering and detection efficiency for pressure drops and glitches is comparable to or better than manual or targeted detection techniques proposed to date, noticeably with an unsupervised approach. Finally, here we discuss the origin of other clusters found, especially glitch sequences with stable time offsets that might generate artifacts in autocorrelation analyses. We conclude with presenting the potential of unsupervised learning for long-term space mission operations, in particular, for geophysical and environmental observatories.

58 GEOSCIENCES↗

Characterizing the Sample Selection for Supernova Cosmology

Type Ia supernovae (SNe Ia) are used as distance indicators to infer the cosmological parameters that specify the expansion history of the universe. Parameter inference depends on the criteria by which the analysis SN sample is selected. Only for the simplest selection criteria and population models can the likelihood be calculated analytically, otherwise it needs to be determined numerically, a process that inherently has error. Numerical errors in the likelihood lead to errors in parameter inference. This article presents toy examples where the distance modulus is inferred given a set of SNe at a single redshift. Parameter estimators and their uncertainties are calculated using Monte Carlo techniques. The relationship between the number of Monte Carlo realizations and numerical errors is presented. The procedure can be applied to more realistic models and used to determine the computational and data management requirements of the transient analysis pipeline.

79 ASTRONOMY AND ASTROPHYSICS↗

Verifying and Validating Simulation Models

This presentation is a high-level discussion of the Verification and Validation (V&V) of computational models. Definitions of V&V are given to emphasize that “validation” is never performed in a vacuum; it accounts, instead, for the current state-of-knowledge in the discipline considered. In particular comparisons between physical measurements and numerical predictions should account for their respective sources of uncertainty. The differences between error (bias), aleatoric uncertainty (randomness) and epistemic uncertainty (ignorance, lack-of- knowledge) are briefly discussed. Four types of uncertainty in physics and engineering are discussed: 1) experimental variability, 2) variability and randomness, 3) numerical uncertainty and 4) model-form uncertainty. Statistical sampling methods are available to propagate, and analyze, variability and randomness. Numerical uncertainty originates from the truncation error introduced by the discretization of partial differential equations in time and space. Model-form uncertainty is introduced by assumptions often formulated to render a complex problem more tractable and amenable to modeling and simulation. The discussion concludes with high-level guidance to assess the “credibility” of numerical simulations, which stems from the level of rigor with which these various sources of uncertainty are assessed and quantified.

Mathematics & Computing(97)↗

Parameter Estimation and Model Validation of Nonlinear Dynamical Networks

In the performance period of this work under a DOE contract, the co-PIs, Philip Gill and Henry Abarbanel, developed new methods for statistical data assimilation for problems of DOE interest, including geophysical and biological problems. This included numerical optimization algorithms for variational principles, new parallel processing Monte Carlo routines for performing the path integrals of statistical data assimilation. These results have been summarized in the monograph: “Predicting the Future: Completing Models of Observed Complex Systems” by Henry Abarbanel, published by Spring-Verlag in June 2013. Additional results and details have appeared in the peer reviewed literature.

42 ENGINEERING↗

Mapping Correlation of a Simulated Dark Matter Source and a Point Source in the Gamma-Ray Sky - Oral Presentation [Slides]

In my research, I analyzed how two gamma-ray source models interact with one another when optimizing to fit data. This is important because it becomes hard to distinguish between the two point sources when they are close together or looking at low energy photons. The reason for the first is obvious, the reason why they become harder to distinguish at lower photon energies is the resolving power of the Fermi Gamma-Ray Space Telescope gets worse at lower energies. When the two point sources are highly correlated (hard to distinguish between), we need to change our method of statistical analysis. What I did was show that highly correlated sources have larger uncertainties associated with them, caused by an optimizer not knowing which point source’s parameters to optimize. I also mapped out where their is high correlation for 2 different theoretical mass dark matter point sources so that people analyzing them in the future knew where they had to use more sophisticated statistical analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

PIPER: Performance Insights for Programmers and Exascale Runtimes

During the lifetime of the project, the PIPER at the University of Utah worked in collaboration with the team from the partner institutions to establish a set of software tools for analyzing and improving the performance parallel computing tools. These activities complement and complete the work performed by the other X-Stack 2 projects with the definition of a common data models and computing infrastructures, which have been a central element in the targeted performance analysis pipeline and new programming models. The University of Utah team have focused mainly on developing data analysis and visualization systems to facilitate exploration, comparison and evaluation of the behavior and performance of complex algorithms in modern HPC infrastructures. This is involved several demonstrations of the performance achieved and presentation of the results in a way that facilitates the users understand bottlenecks and ways to overcome them. One major focus of the University of Utah activities has been the analysis of the performance characteristics of Fat-Tree and Dragonfly topology networks. The work involved the development of practical visualization systems especially in collaboration with the team at LLNL, and published several papers and gave invited talks at prestigious venues such as the Salishan Conference on High-Speed Computing or the International Conference on High Performance Computing, Data, and Analytics. In addition, the university of Utah team has advanced the core activities on analyzing the performance characteristics of I/O and other data movement systems and their practical use for scaling Uintah and other simulation codes poised for use in the exascale computing environments of the future.

42 ENGINEERING↗

Different Ways to Formulate the Statistical Theory of Fission Chains

We describe the statistical theory of fission chains and how different ways of formulating it are mathematically equivalent. When confronted with actual data and the burden of finite statistics, different methods of expressing the theory offer advantages for understanding the underlying source parameters from an information theory standpoint.

97 MATHEMATICS AND COMPUTING↗

Developing Metrics to Evaluate the Skill and Credibility of Downscaling

Major activities for this project consisted of three related elements: Comparing results using statistical downscaling to the dynamical downscaling performed by the UCLA (Dr. Alex Hall) team in the proposal Developing statistical downscaling methods for wind and near-surface humidity Evaluating differences in extremes across downscaling methods.

17 WIND ENERGY↗

Total Moisture Analysis of Salts by Dissolution

This report discusses recent efforts within TA-48 in developing a robust, defensible, and straightforward procedure for determining the moisture content of alkali and alkaline metal halide salts utilizing a total dissolution Karl-Fischer titration method. Utilizing statistical analysis of blank and dissolved salt samples, we determine a (3 sigma) detection limit of 67 micrograms H 2 O/g salt, and a (10 sigma) quantification limit of 160 micrograms H 2 O/g salt. Several salts are analyzed, and suggestions for future efforts are given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ComStock Reference Documentation (V.1)

The commercial building sector stock model, or ComStock™, is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual sub-hourly energy consumption of the commercial building stock across the United States. ComStock asks and answers two questions: how is energy used in the U.S. building stock and what are the impact of energy saving technologies. Specifically, ComStock identifies where energy is being consumed geographically, in what building types and end uses, and at what times of day. Simultaneously, it identifies the impact of efficiency measures: how much energy do efficiency measures save; where, or in what use cases do measures save energy; when, or at what time of day do savings occur; and which building stock segments have the biggest savings potential. This document contains the methodology and assumptions behind ComStock and serves as a guide to its use.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

End-Use Savings Shapes Measure Documentation: Variable Refrigerant Flow with Heat Recovery and Dedicated Outdoor Air System

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock™ and ComStock™ models over the past 3 years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single heating, ventilation, and air-conditioning (HVAC) end-use savings shape measure - a variable refrigerant flow with heat recovery (VRF HR) heating and cooling system coupled with a dedicated outdoor air system (DOAS) for ventilation. This measure replaces existing multi-zone variable air volume (VAV) systems or single-zone rooftop units (RTU) with a VRF HR system coupled with a DOAS that includes an energy/heat recovery ventilator (E/HRV). The measure covers 53% of exisiting building stock's floor area and is not applicable to HVAC system types using district heating or cooling or buildings/spaces that include high-ventilation spaces such as kitchens where the amount of exhaust air is large. A DOAS with E/HRV is used to provide required outdoor ventilation air to spaces since ventilation air is generally not supplied by a VRF HR system. An exhaust air energy recovery ventilator (ERV ) with sensible and latent heat exchange is added to humid climate zones while a heat recovery ventilator (HRV ) with sensible only exchange is added to drier climate zones. The ERV is modeled as a fixed membrane plate counterflow heat exchanger, while the HRV is modeled as a sensible-only fixed aluminum plate counterflow heat exchanger. Both systems include a bypass (for temperature control and economizer lockout) and minimum exhaust temperature control for frost prevention.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

End-Use Savings Shapes Measure Documentation: LED Lighting

Building on the successfully completed effort to calibrate and validate the U.S. Department of Energy's ResStock and ComStock models over the past three years, the objective of this work is to produce national data sets that empower analysts working for federal, state, utility, city, and manufacturer stakeholders to answer a broad range of analysis questions. The goal of this work is to develop energy efficiency, electrification, and demand flexibility end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to energy efficiency variables that can be applied to buildings during modeling. An end-use savings shape is the difference in energy consumption between a baseline building and a building with an energy efficiency, electrification, or demand flexibility measure applied. It results in a timeseries profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each timestep. ComStock is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the commercial building stock across the United States. The baseline model intends to represent the U.S. commercial building stock as it existed in 2018. The methodology and results of the baseline model are discussed in the final technical report of the End-Use Load Profiles project. This documentation focuses on a single end-use savings shape measure - LED lighting. The LED lighting measure replaces interior lights with LEDs where applicable. The measure resulted in 1.25 TBtu energy savings across the building stock, with the majority of savings occurring in retail and warehouse buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗