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At least 973 records · Page 54

A Tutorial on Bayesian analysis of linear shock compression data

Gas gun and other shock compression experiments often produce shock wave velocity measurements that are linearly associated with particle velocity. Traditionally, this empirical relationship is quantified with a single Hugoniot curve that is estimated using least squares regression. However, for downstream modeling and simulation tasks, it is often more useful to have multiple Hugoniot curves in the pressure–volume plane that are consistent with the data. We employ Bayesian uncertainty quantification methods as a framework for propagating measurement uncertainty through to model parameters and predictions. Specifically, this Tutorial shows how to sample multiple Hugoniot curves in the pressure–volume plane that are consistent with the shock wave-particle velocity measurements in a two-step Bayesian approach. First, we obtain an analytical expression for the posterior distribution of the linear model parameters using Bayesian linear regression. Second, we propagate samples from the posterior distribution through the Rankine–Hugoniot equations to yield Hugoniot curves in the pressure–volume plane. The procedure is demonstrated with publicly available data on argon, copper, and nickel, and compared against bootstrapping and linear regression. The Bayesian procedure is shown to be interpretable, computationally inexpensive, and less sensitive than an alternative bootstrapping approach to the removal of the point in the copper dataset that has the largest particle velocity. As a Tutorial on Bayesian methodology for the shock compression community, we provide several derivations and explanations that make this paper self-contained, and make all code and data available at github.com/llnl/BALSCD.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data-driven electrolyte design for lithium metal anodes

Improving Coulombic efficiency (CE) is key to the adoption of high energy density lithium metal batteries. Liquid electrolyte engineering has emerged as a promising strategy for improving the CE of lithium metal batteries, but its complexity renders the performance prediction and design of electrolytes challenging. Here, we develop machine learning (ML) models that assist and accelerate the design of high-performance electrolytes. Using the elemental composition of electrolytes as the features of our models, we apply linear regression, random forest, and bagging models to identify the critical features for predicting CE. Our models reveal that a reduction in the solvent oxygen content is critical for superior CE. We use the ML models to design electrolyte formulations with fluorine-free solvents that achieve a high CE of 99.70%. This work highlights the promise of data-driven approaches that can accelerate the design of high-performance electrolytes for lithium metal batteries.

25 ENERGY STORAGE↗

Quantifying radiation quality for space relevant radiation types: Fitting excess risk models to outbred mice data

Accurately quantifying the differences in radiation quality between space and terrestrial environments is important for predicting health risks for astronauts.Recently, Edmundson et al. 2020[1] provided valuable new results from out-bred mice linking tumor induction and genetic background aer exposure to low and high-LET radiation. The goal of the current study is to more rigorously estimate a relative biological effectiveness (RBE) factor by leveraging the solid tumor data from Edmundson et al. 2020. Excess relative risk (ERR) models and excess absolute risk (EAR) models were fit using Poisson regression similar to the models that the Radiation Effects Research Foundation uses to fit atomic bomb survivor data. Linear ERR and EAR slopes were simulated usingBayesian analyses, and RBE values were calculated from the ratio of the heavy ion linear slope to the gamma linear slope using the full posterior distribution.

Lori J. Chappell↗

Data-Driven Digital Twin for Reliability Assessment of DC/DC Buck Converter

In commercial applications, the operation of DC/DC converters significantly impacts overall system performance and long-term reliability. This study introduces a data-driven digital twin (DT) approach for estimating critical degradation parameters of DC/DC BUCK converter under steady-state condition. Initially, a circuit-level MATLAB/Simulink digital model (DM C ) is refined against a hardware prototype’s switching model dataset using offline particle swarm optimization. The optimized digital model’s steady-state response is then verified with its average model response while varying the duty and load. Subsequently, degradation profiles are imposed on the inductor, capacitor, MOSFET in the DMC. A large dataset is generated from this model, allowing training, validation, and testing of machine learning (ML) models for component health regression tasks. The proposed method employs random forest ML models, achieving impressive regression results with a squared R value as high as 0.99978 and a root mean square error of 4.2× 10 –6 . The method is further validated on a medium power level DC/DC BUCK prototype with varying load conditions, and includes the analysis of MOSFET’s on-resistance under degradation conditions. This data-driven DT method shows promise for identifying parasitic degradation and ohmic loss parameters, enhancing converter reliability assessments in a non-invasive, generalized, and computationally efficient manner.

14 SOLAR ENERGY↗

Beyond pinball loss: Quantile methods for calibrated uncertainty quantification

Amongthemanywaysofquantifying uncertainty in a regression setting, specifying the full quantile function is attractive, as quantiles are amenable to interpretation and evaluation. A model that predicts the true conditional quantiles for each input, at all quantile levels, presents a correct and efficient representation of the underlying uncertainty. To achieve this, many current quantile-based methods focus on optimizing the pinball loss. However, this loss restricts the scope of applicable regression models, limits the ability to target many desirable properties (e.g. calibration, sharpness, centered intervals), and may produce poor conditional quantiles. In this work, we develop new quantile methods that address these shortcomings. In particular, we propose methods that can apply to any class of regression model, select an explicit balance between calibration and sharpness, optimize for calibration of centered intervals, and produce more accurate conditional quantiles. We provide a thorough experimental evaluation of our methods, which includes a high dimensional uncertainty quantification task in nuclear fusion.

97 MATHEMATICS AND COMPUTING↗

Model Development for MODIS Thermal Band Electronic Crosstalk

MODerate-resolution Imaging Spectroradiometer (MODIS) has 36 bands. Among them, 16 thermal emissive bands covering a wavelength range from 3.8 to 14.4 m. After 16 years on-orbit operation, the electronic crosstalk of a few Terra MODIS thermal emissive bands developed substantial issues that cause biases in the EV brightness temperature measurements and surface feature contamination. The crosstalk effects on band 27 with center wavelength at 6.7 m and band 29 at 8.5 m increased significantly in recent years, affecting downstream products such as water vapor and cloud mask. The crosstalk effect is evident in the near-monthly scheduled lunar measurements, from which the crosstalk coefficients can be derived. The development of an alternative approach is very helpful for independent verification.In this work, a physical model was developed to assess the crosstalk impact on calibration as well as in Earth view brightness temperature retrieval. This model was applied to Terra MODIS band 29 empirically to correct the Earth brightness temperature measurements. In the model development, the detectors nonlinear response is considered. The impact of the electronic crosstalk is assessed in two steps. The first step consists of determining the impact on calibration using the on-board blackbody (BB). Due to the detectors nonlinear response and large background signal, both linear and nonlinear coefficients are affected by the crosstalk from sending bands. The second step is to calculate the effects on the Earth view brightness temperature retrieval. The effects include those from affected calibration coefficients and the contamination of Earth view measurements. This model links the measurement bias with crosstalk coefficients, detector non-linearity, and the ratio of Earth measurements between the sending and receiving bands. The correction of the electronic cross talk can be implemented empirically from the processed bias at different brightness temperature. The implementation can be done through two approaches. As routine calibration assessment for thermal infrared bands, the trending over select Earth scenes is processed for all the detectors in a band and the band averaged bias is derived at a certain time. In this case, the correction of an affected band can be made using the regression of the model with band averaged bias and then corrections of detector differences are applied. The second approach requires the trending for individual detectors and the bias for each detector is used for regression with the model. A test using the first approach was made for Terra MODIS band 29 with the biases derived from long-term trending of brightness temperature over ocean and Dome-C.

Chang, Tiejun↗

Spatial structure, sampling design and scale in remotely-sensed imagery of a California savanna woodland

This article describes research related to sampling techniques for establishing linear relations between land surface parameters and remotely-sensed data. Predictive relations are estimated between percentage tree cover in a savanna environment and a normalized difference vegetation index (NDVI) derived from the Thematic Mapper sensor. Spatial autocorrelation in original measurements and regression residuals is examined using semi-variogram analysis at several spatial resolutions. Sampling schemes are then tested to examine the effects of autocorrelation on predictive linear models in cases of small sample sizes. Regression models between image and ground data are affected by the spatial resolution of analysis. Reducing the influence of spatial autocorrelation by enforcing minimum distances between samples may also improve empirical models which relate ground parameters to satellite data.

Mcgwire, K.↗

Component Level Regression Testing in a Hierarchical Architecture

The Goddard Earth Observing System (GEOS) is an Earth system model consisting of a large suite of individual model components that can be coupled in a flexible manner to investigate a variety of Earth science issues. Specific GEOS model configurations are composed as a hierarchical collection of components based on the Earth System Modeling Framework (ESMF). Regression testing of GEOS is currently limited to (1) full system tests that are poor at isolating specific defects and (2) a suite of unit tests which have very limited coverage. As part of our approach to improve upon the current testing situation, we have prototyped the capability to perform regression tests on individual GEOS components by leveraging and extending existing checkpoint/restart capabilities. In our implementation, each ESMF component has 3 states: Import (what it needs to run), Export (which it needs to provide to other components), and Internal (the component state proper). By capturing, Import, Export and Internal states for a given component during a ull run of GEOS, a generic driver can then rerun the component offline and compare expected exports with those that have been saved. The hierarchical structure of GEOS introduces an interesting wrinkle when trying to test components that in turn drive interacting child components. To fully isolate a parent component, we use the approach of software mocks, in which the exports of children are also saved during the initial capture run of GEOS. Then when testing the parent component, the children components are replaced by a generic mock component that produces exports from the previously saved data and ensures that that all interdependencies among children components are satisfied.

Thomas Clune↗

Determination of airplane model structure from flight data by using modified stepwise regression

The linear and stepwise regressions are briefly introduced, then the problem of determining airplane model structure is addressed. The MSR was constructed to force a linear model for the aerodynamic coefficient first, then add significant nonlinear terms and delete nonsignificant terms from the model. In addition to the statistical criteria in the stepwise regression, the prediction sum of squares (PRESS) criterion and the analysis of residuals were examined for the selection of an adequate model. The procedure is used in examples with simulated and real flight data. It is shown that the MSR performs better than the ordinary stepwise regression and that the technique can also be applied to the large amplitude maneuvers.

Klein, V.↗

Monitoring Noble Gases (Xe and Kr) and Aerosols (Cs and Rb) in a Molten Salt Reactor Surrogate Off-Gas Stream Using Laser-Induced Breakdown Spectroscopy (LIBS)

In this study with surrogate materials we show that laser-induced breakdown spectroscopy (LIBS) is a robust tool with promising capability toward monitoring gaseous (Xe and Kr) and aerosol (Cs and Rb) species in an off-gas stream from a molten salt reactor (MSR). MSRs will continually evolve fission products into the cover gas flowing across the reactor headspace. The cover gas entrains Xe and Kr gases, along with aerosol particles, before passing into an off-gas treatment system. Univariate models of Xe and Kr peaks showed a strong correlation to concentration indicated by their coefficients of determination of 0.983 and 0.997, respectively. Multivariate models were built for all four analytes using partial least squares regression coupled with preprocessing steps including normalization, trimming, and/or genetic algorithm derived filters. The models were evaluated by predicting the concentrations of the analytes in four validation samples, in which all calibration models were successfully validated at a confidence interval of 99.9%. Finally, pressure controllers were used to regulate the mass flow rate of Kr flowing into the measurement cell in sinusoidal and stepwise waveforms to test the real-time monitoring capabilities of the regression models. Both univariate and partial least squares Kr models were able to successfully quantify the gas concentration in the real-time evaluation. The root mean squared error of prediction (RMSEP) values for these real-time tests were calculated to be 0.051, 0.060, and 0.121 mol% demonstrating the measurement systems’ capability to perform online monitoring with acceptable accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A new method for predicting hurricane rapid intensification based on co-occurring environmental parameters

Abstract Tropical cyclones (TCs) that undergo Rapid Intensification (RI) can pose serious socioeconomic threats and can potentially result in major damaging impacts along coastal areas. Considering the complexity of various physical mechanisms that play a role in RI and its relatively low probability of occurrence, predicting RI remains a major operational challenge. In this study, we propose a simple deterministic binary classification model based on the co-occurrence of environmental parameters (MCE) to predict an RI event. More specifically, the model determines the possibility of RI based on a simple count of the number of environmental predictors deemed favorable and unfavorable. We compare our model results to logistic regression (LR) and decision tree (DT) models, well-trained using the same set of environmental predictors. Results reveal that at an RI threshold of 30 kt, the MCE exhibits a critical success index score of 0.233 which is 14% higher than DT and LR model performances. When tested at multiple RI thresholds, the MCE displays relatively higher skill scores across multiple metrics. By simultaneously evaluating the favorability of predictors, the MCE is able to comparatively reduce the number of false alarms predicted when certain predictors are unfavorable toward RI. Interpreting these model results to gain a physical understanding of how co-occurring environmental parameters can affect RI, we highlight future directions for using models based on the MCE approach to understand and predict TC RI as well as other meteorological extremes.

54 ENVIRONMENTAL SCIENCES↗

A New CO2 Transmittance Parameterization and Its Impact on the GLA GCM

The Wu-Kaplan radiation parameterization (Krishnamurthy, 1982) used in the GLA Global Circulation Model (GCM) was improved by replacing its fixed tables of CO2 transmittance in the 15 micron band with models developed by regression on line-by-line transmittances. The transmittances between layers are modeled as products of effective sublayer transmittances. The GLA GCM was integrated for 20 days starting at OZ, January 21, 1979, using the transmittance model. In the control run the fixed table of 15 micron CO2 transmittances is used. The effect of the change of initial cooling rate is illustrated by a map of the difference of 50 mb temperature after 6 hours. The cooling is reduced over high topography, where the fixed table underestimates the transmittance, and is reduced slightly throughout the tropics and the north polar area where the stratosphere is relatively cold. Over elevated topography the surface cooling increases, also as expected. The stratospheric temperature increases over a degree in the arctic and smaller amounts over Antarctica and elsewhere. Tropospheric equilibrium temperature response is obscured by time dependent differences in synoptic disturbances.

Wobus, R.↗

Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part II: Evaluation of Sample Models

Previous studies have shown that probabilistic forecasting may be a useful method for predicting persistent contrail formation. A probabilistic forecast to accurately predict contrail formation over the contiguous United States (CONUS) is created by using meteorological data based on hourly meteorological analyses from the Advanced Regional Prediction System (ARPS) and from the Rapid Update Cycle (RUC) as well as GOES water vapor channel measurements, combined with surface and satellite observations of contrails. Two groups of logistic models were created. The first group of models (SURFACE models) is based on surface-based contrail observations supplemented with satellite observations of contrail occurrence. The second group of models (OUTBREAK models) is derived from a selected subgroup of satellite-based observations of widespread persistent contrails. The mean accuracies for both the SURFACE and OUTBREAK models typically exceeded 75 percent when based on the RUC or ARPS analysis data, but decreased when the logistic models were derived from ARPS forecast data.

Duda, David P.↗