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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

hIPPYlib-MUQ: A Bayesian Inference Software Framework for Integration of Data with Complex Predictive Models under Uncertainty

Bayesian inference provides a systematic framework for integration of data with mathematical models to quantify the uncertainty in the solution of the inverse problem. However, the solution of Bayesian inverse problems governed by complex forward models described by partial differential equations (PDEs) remains prohibitive with black-box Markov chain Monte Carlo (MCMC) methods. We present hIPPYlib-MUQ, an extensible and scalable software framework that contains implementations of state-of-the art algorithms aimed to overcome the challenges of high-dimensional, PDE-constrained Bayesian inverse problems. These algorithms accelerate MCMC sampling by exploiting the geometry and intrinsic low-dimensionality of parameter space via derivative information and low rank approximation. The software integrates two complementary open-source software packages, hIPPYlib and MUQ. hIPPYlib solves PDE-constrained inverse problems using automatically-generated adjoint-based derivatives, but it lacks full Bayesian capabilities. MUQ provides a spectrum of powerful Bayesian inversion models and algorithms, but expects forward models to come equipped with gradients and Hessians to permit large-scale solution. By combining these two complementary libraries, we created a robust, scalable, and efficient software framework that realizes the benefits of each and allows us to tackle complex large-scale Bayesian inverse problems across a broad spectrum of scientific and engineering disciplines. To illustrate the capabilities of hIPPYlib-MUQ, we present a comparison of a number of MCMC methods available in the integrated software on several high-dimensional Bayesian inverse problems. These include problems characterized by both linear and nonlinear PDEs, various noise models, and different parameter dimensions. The results demonstrate that large (~ 50×) speedups over conventional black box and gradient-based MCMC algorithms can be obtained by exploiting Hessian information (from the log-posterior), underscoring the power of the integrated hIPPYlib-MUQ framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Overland flow numerical model prediction, Lower Triangle Region in East River Watershed, Colorado, 3 days

This data package contains numerical simulation results of surface flow variables such as flow velocity and water depth in Lower Triangle Region in East River Watershed, Colorado. The surface flow is a consequence of a high intensity rainfall event with a total duration of 3 days, available at a resolution of 10 minutes. The results are computed on triangular multiresolution meshes with resolutions ranging from 10 meter to 80 meter. The data package also contains a simulation on a uniform triangular mesh with a resolution of 10 meter. The simulations consider surface flow only and neglect subsurface flow, infiltration, and evapotranspiration. The purpose of the data is to assess the quality of a mesh refinement strategy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Predictive Models and High-Performance Computing as Tools to Accelerate the Scaling-Up of New Bio-Based Fuels Workshop: Summary Report

This report summarizes the results of a virtual workshop sponsored by the Bioenergy Technologies Office held on June 9–11, 2020. The workshop discussed best practices for utilizing mathematical modeling tools across multiple scales to reduce technology uncertainty and accelerate scaling-up of biorefinery/chemical production equipment and optimize operations.

09 BIOMASS FUELS↗
DOE OSTI2021

(U) A Linear Response Model Predicts Reactivity From a Density Profile

We tested the ability to predict the system reactivity, described by alpha, given a density profile using a simple linear system response. We generated a suite of 1-dimensional density profiles that consisted of nominal density, a discontinuity, and a decay. These profiles were prescribed a functional form and the mass was conserved in all cases. From these density profiles, we calculated the alpha value of the 3-dimensional system.We calculated a linear response function given a training set of the 1-dimensional density profiles, and the system reactivity described by alpha. We tested the robustness of the response function using the remaining test data. Our results showed very good agreement between the predicted and calculated test values, where the distribution of alpha differences was centered about zero and had a standard deviation of 0.005 gens/shake. The predicted and calculated alpha values did not significantly differ (t=-0.0009 p<0.99). We used Singular Value Decomposition (SVD) to reduce the matrix rank by retaining95% of the cumulative singular value contributions. This reduced the matrix rank by 91.7%. We generated the linear response matrix and calculated the difference between the predicted and calculated alpha values. Using the reduced order matrix, we showed good agreement between the predicted and calculated alpha values where the distribution of differences was centered near zero, the standard deviation was 0.006 gens/shake, and the statistical t-test showed good agreement (t=0.02, p<0.98). These results show a linear relationship between a series of 1-dimensional density profiles,where the mass was conserved, and the system reactivity. The next steps of this work will be to investigate the linear response using 2-dimensional density profiles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Predictive Models and Novel Accelerated Tests for the Reliability of Cell Metallization and Solder Joints in Photovoltaic Modules

Interconnect, solder, and metallization-related failures are the primary reason for premature Si-based photovoltaic panel failure [1, 2] and can lead to a cascade of other failures, including thermal events. This combination of high severity and high occurrence means that understanding interconnect-related failures is key to the long-term health of the photovoltaic industry, and it is crucial that the industry adopt efficient and effective tests that aid in design-for-reliability and manufacturing quality control.

14 SOLAR ENERGY↗