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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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At least 523 records · Page 29

Toward a machine-guided approach to energetic material discovery

In this article, we trained a machine learning (ML) model to connect microstructural details of an energetic material formulation to its performance for the purpose of guiding the discovery of new explosive formulations. Our hypothesis was that the algorithm would robustly learn the training data and produce an accurate surrogate model. Specifically, the algorithm learned the relationship between details of the void size distribution (VSD), initiating shock pressure, and the energetic material performance. We used realistic constraints on the VSD and a range of cases were ingested by a physically informed reactive flow model working within a hydrodynamic solver running on high-performance computing resources. The ML algorithm produced a surrogate model that accurately predicted known test points around the parameter space. In addition to the utility of the model and the process used for its development, we noted interesting comparisons between what we, the authors—subject matter experts, would heuristically conclude from the training data and the surrogate model predictions. We detected nuanced details that were missed by the surrogate model; however, these details are not important to an energetic material formulator. We concluded that the algorithm did indeed robustly learn the training data and produce an accurate surrogate model. We further concluded that the surrogate model is a powerful tool to guide the formulator in the absence of subject matter experts and limited-access computing resources.

42 ENGINEERING↗

Requirements for a network storage service

Sandia National Laboratories provides a high performance classified computer network as a core capability in support of its mission of nuclear weapons design and engineering, physical sciences research, and energy research and development. The network, locally known as the Internal Secure Network (ISN), comprises multiple distributed local area networks (LAN's) residing in New Mexico and California. The TCP/IP protocol suite is used for inter-node communications. Scientific workstations and mid-range computers, running UNIX-based operating systems, compose most LAN's. One LAN, operated by the Sandia Corporate Computing Computing Directorate, is a general purpose resource providing a supercomputer and a file server to the entire ISN. The current file server on the supercomputer LAN is an implementation of the Common File Server (CFS). Subsequent to the design of the ISN, Sandia reviewed its mass storage requirements and chose to enter into a competitive procurement to replace the existing file server with one more adaptable to a UNIX/TCP/IP environment. The requirements study for the network was the starting point for the requirements study for the new file server. The file server is called the Network Storage Service (NSS) and its requirements are described. An application or functional description of the NSS is given. The final section adds performance, capacity, and access constraints to the requirements.

Kelly, Suzanne M.↗

Numerical Simulation of Inlet Bleed with Circular Holes on Plate Under Shock-Wave/Boundary-Layer Interactions

A numerical study was performed to investigate the shock-wave/boundary-layer interactions on a flat plate with bleed through one or more circular holes that vent into a plenum. The bleed-hole patterns considered for the study include in-line multiple holes and staggered multiple-row holes that are configured to simulate the patterns used in inlet bleed systems of high performance aircraft. The focus of the study was to examine how the bleed through multiple holes affect bleed rate and the pressure and Mach number distributions. Since the bleed performance was found sensitive to the change in bleed conditions, a computational procedure was developed to give a good turnaround computational time for parametric studies involving changes in bleed hole geometry and the structure of shock-wave/boundary-layer flowfield. The procedure includes the grid-generation methodology and the flow simulation with solutions from the Navier-Stokes equations. The computational techniques permit analysis of complex bleed systems and make possible the investigation of a broader range of design variables associated with inlet bleed operation.

Chyu, Wei J.↗

Parametric Study of Pulse-Combustor-Driven Ejectors at High-Pressure

Pulse-combustor configurations developed in recent studies have demonstrated performance levels at high-pressure operating conditions comparable to those observed at atmospheric conditions. However, problems related to the way fuel was being distributed within the pulse combustor were still limiting performance. In the first part of this study, new configurations are investigated computationally aimed at improving the fuel distribution and performance of the pulse-combustor. Subsequent sections investigate the performance of various pulse-combustor driven ejector configurations operating at highpressure conditions, focusing on the effects of fuel equivalence ratio and ejector throat area. The goal is to design pulse-combustor-ejector configurations that maximize pressure gain while achieving a thermal environment acceptable to a turbine, and at the same time maintain acceptable levels of NOx emissions and flow non-uniformities. The computations presented here have demonstrated pressure gains of up to 2.8%.

pulsejet↗

US ATLAS and US CMS HPC and Cloud Blueprint

The Large Hadron Collider (LHC) at CERN houses two general purpose detectors - ATLAS and CMS - which conduct physics programs over multi-year runs to generate increasingly precise and extensive datasets. The efforts of the CMS and ATLAS collaborations lead to the discovery of the Higgs boson, a fundamental particle that gives mass to other particles, representing a monumental achievement in the field of particle physics that was recognized with the awarding of the Nobel Prize in Physics in 2013 to François Englert and Peter Higgs. These collaborations continue to analyze data from the LHC and are preparing for the high luminosity data taking phase at the end of the decade. The computing models of these detectors rely on a distributed processing grid hosted by more than 150 associated universities and laboratories worldwide. However, such new data will require a significant expansion of the existing computing infrastructure. To address this, both collaborations have been working for years on integrating High Performance Computers (HPC) and commercial cloud resources into their infrastructure and continue to assess the potential role of such resources in order to cope with the demands of the new high luminosity era. US ATLAS and US CMS computing management have charged the authors to provide a blueprint document looking at current and possibly future use of HPC and Cloud resources, outlining integration models, possibilities, challenges and costs. The document will address key questions such as the optimal use of resources for the experiments and funding agencies, the main obstacles that need to be overcome for resource adoption, and areas that require more attention.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Computational framework for modeling of physical process

Techniques, systems, and devices are described for providing a computational frame for estimating high-dimensional stochastic behaviors. In one exemplary aspect, a method for performing numerical estimation includes receiving a set of measurements of a stochastic behavior. The set of correlated measurements follows a non-standard probability distribution and is non-linearly correlated. Also, a non-linear relationship exists between a set of system variables that describes the stochastic behavior and a corresponding set of measurements. The method includes determining, based on the set of measurements, a numerical model of the stochastic behavior. The numerical model comprises a feature space comprising non-correlated features corresponding to the stochastic behavior. The non-correlated features have a dimensionality of M and the set of measurements has a dimensionality of N, M being smaller than N. The method includes generating a set of approximated system variables corresponding to the set of measurements based on the numerical model.

Chen, Xiao↗

Coupling Big Data Analytics and Reactive Transport Modeling for Cost-effective Groundwater Monitoring - 17163

This study presents an innovative approach for sustainable and cost-effective groundwater monitoring. This approach takes advantage of recent advances in various technologies: (1) in situ autonomous sensors, (2) big data analytics, and (3) parallel high-performance computing for flow and reactive transport modeling. In situ sensors are used to periodically measure the key variables (such as pH, redox potential, electrical conductivity, and groundwater level), which control contaminant mobility and the plume spatial and temporal distribution. Based on a limited number of groundwater sampling, the data analytics methods-data mining and machine learning-allow us to identify and quantify the correlations between the in situ-measured variables and contaminant concentrations, and also to detect significant changes associated with the plume mobility. In addition, a state-of-the-art parallel numerical flow and reactive transport simulator Amanzi, and uncertainty quantification software Agni are used to provide an improved physical and mechanistic understanding of the contaminated groundwater system behavior, and to predict the long-term plume distribution for optimizing and adapting the monitoring strategy. Amanzi and Agni were developed as part of the Advanced Simulation Capability for Environmental Management (ASCEM) program of the DOE Office of Environmental Management. Such modeling is critical, particularly, for assessing the impact of climate change and associated hydrological shifts. The developed approach is expected to significantly reduce the groundwater sampling frequency and associated cost. In addition, the real-time information on plume mobility serves as an early warning system, improving the resiliency of contaminated or potentially contaminated sites. We demonstrate this approach using as an example the Savannah River Site (SRS) F-Area, where groundwater is contaminated by various radionuclides, including uranium, tritium and technetium. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computational framework for modeling of physical process

Techniques, systems, and devices are described for providing a computational frame for estimating high-dimensional stochastic behaviors. In one exemplary aspect, a method for performing numerical estimation includes receiving a set of measurements of a stochastic behavior. The set of correlated measurements follows a non-standard probability distribution and is non-linearly correlated. Also, a non-linear relationship exists between a set of system variables that describes the stochastic behavior and a corresponding set of measurements. The method includes determining, based on the set of measurements, a numerical model of the stochastic behavior. The numerical model comprises a feature space comprising non-correlated features corresponding to the stochastic behavior. The non-correlated features have a dimensionality of M and the set of measurements has a dimensionality of N, M being smaller than N. The method includes generating a set of approximated system variables corresponding to the set of measurements based on the numerical model.

Chen, Xiao↗

Assessment of Sodium Thermal Stratification Models Utilizing the TSTF Benchmark

As a result of certain transient scenarios, a thermally stratified layer of liquid sodium can develop in the bulk coolant volumes of a sodium-cooled fast reactor (SFR). In addition to the effects a stratification layer has on the temperature of the heat transport system, a stratification layer can also influence the transition to and establishment of natural circulation flow, which plays an important role in passive cooling and the inherent safety of a pool-type SFR. Therefore, the ability to accurately capture thermal stratification phenomena is important when demonstrating the safety basis of a pool-type SFR during transient sequences. The present work assesses various computational models with different fidelities in their ability to predict thermal stratification in the upper plenum of an SFR. Each computational model will be assessed using the data generated at the Thermal Stratification Test Facility (TSTF) located at the University of Wisconsin-Madison. Using measured flow rate and inlet temperature data, the measured temperature distributions of the tests are compared to the predictions of the lumped volume-based models in SAS4A/SASSYS-1, a 1D-based model in SAM, and a 3-D computational fluid dynamics (CFD) model using STAR-CCM+. The relative performance of the various computational methods is assessed with respect to key metrics such as bulk coolant temperature distribution and plenum exit temperature. A total of eight tests are analyzed, covering different combinations of flow rates (3 and 10 GPM) and upper internal structure (UIS) configurations (none, solid, porous, and open) The perfect mixing model of SAS4A/SASSYS-1 provides the highest accuracy when the flow rate is high and there is no UIS in the test vessel, as high flow rate injection promotes thermal mixing of the sodium in the test vessel. For most of the analyzed tests, the stratified volume model of SAS4A/SASSYS-1 is able to predict the delay in the outlet temperature drop and temperature distribution in the test vessel by a small number of layers to represent thermal stratification. However, the stratified volume model can only simulate a maximum of three temperature layers within a volume and when a layer approaches the elevation of the outlet, the predicted outlet temperature can demonstrate rapid, non-physical changes. The 1-D axial mixing model of SAM provides results that agree reasonably well with the measured data in the prediction of the temporal evolution of the outlet temperature with the exception of the case with a high flow rate and no UIS. The SAM 1-D model has a similar level of accuracy to CFD results when it comes to predicting the outlet temperature. CFD shows overall good agreement in predicting the temperature distribution in the test vessel and outlet temperature. As CFD can model the test vessel geometry in detail, it performs well in the cases of complex geometries such as tests that included a UIS and internal flow through the UIS resulting in active mixing of the coolant in the test vessel. Each of the models discussed in the present work has the potential to be useful during the various stages of reactor design, analysis, and licensing. The lumped-volume approach can be applied for fast turnaround safety calculations to obtain overall reactor behavior during transients. The 1-D models provide improved accuracy when stratification is expected for a relatively low increase in the computational cost. The CFD model can be utilized for confirmatory analysis of the 1-D model, when experimental measurements are not available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Origin of the second peak in the mechanical loss function of amorphous silica

The thermal noise in amorphous oxides is the limiting factor for gravitational wave detectors and other high-precision optical devices. Through the fluctuation-dissipation theorem, the thermal noise is directly connected to the internal friction ($Q^{–1}$). Computational calculations of $Q^{–1}$ that use a two-level system (TLS) model have previously been performed for several coating materials, facilitating the search for coatings with lower thermal noise. However, they are based on a historical approximation made within the TLS model that treats the TLS distribution as uncorrelated, which has limited the predictive power of the model. In this paper, we show that this approximation limits the physical description of amorphous oxides using the TLS model and a fully correlated distribution must be used to calculate high-temperature behavior. Not only does using a correlated distribution improve the theoretical standing of the TLS model, calculations of $Q^{–1}$ using a fully correlated distribution reproduce and uncover the physical mechanisms of a second peak observed in measurements of ion-beam sputtered amorphous silica. We also explore the details of the thermal activation of TLSs and analyze the atomic transitions that contribute to $Q^{–1}$ in amorphous silica.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Radiation Belt Remediation: A Complex Engineered System (RBR-ACES) (Institutional Computing Report)

We have performed the simulation campaigns in support of LDRD-DR project Radiation Belt Remediation: A Complex Engineered System (RBR-ACES). This project involves modeling wave generation and wave propagation in plasma environment and studying the effect of waves on the distribution of high energy electrons with the focus on electrons appeared after a high-altitude nuclear explosion (HANE). One of the major goal of this research is strong validation of the numerical models with laboratory experiments and space-based experiments and observations.

42 ENGINEERING↗

A Performance Model of In-Situ Techniques

The computational capacity of High-Performance Computing (HPC) systems increases continuously with the rapid development of central processing units (CPUs) and graphic processing units (GPUs), while the in-/output (IO) subsystem develops relatively slowly and storage capacity is also limited. Data-intensive applications, which are designed to leverage the high computational capacity of HPC resources, typically generate a considerable amount of data for post-processing visualizations and data analytics. The limited IO speed and storage space could lead to constraints in the actual performance of these applications and, therefore, scientific discovery. In-situ techniques, where data is visualized/analysed while still in memory rather than through disk, can contribute to alleviating these problems as they can reduce or even fully avoid data writing/reading through the IO subsystem to/from storage. However, the overall efficiency of insitu techniques crucially depends on the characteristics of both the in-situ tasks and the applications, and the resource distribution among them. Therefore, choosing the right in-situ approach (synchronous, asynchronous, or hybrid) and resource allocation is essential to minimize overhead and maximize the benefits of concurrent execution. In this paper, we present a performance model of in-situ techniques to find the most beneficial in-situ approach and the preferred resource configuration. We verify the high accuracy of our approach with over 6800 measurements and provide use cases with different applications.

Ju, Yi [Max Planck Computing and Data Facility, Ga↗

An adaptive Hessian approximated stochastic gradient MCMC method

Bayesian approaches have been successfully integrated into training deep neural networks. One popular family is stochastic gradient Markov chain Monte Carlo methods (SG-MCMC), which have gained increasing interest due to their ability to handle large datasets and the potential to avoid overfitting. Although standard SG-MCMC methods have shown great performance in a variety of problems, they may be inefficient when the random variables in the target posterior densities have scale differences or are highly correlated. Here, we present an adaptive Hessian approximated stochastic gradient MCMC method to incorporate local geometric information while sampling from the posterior. The idea is to apply stochastic approximation (SA) to sequentially update a preconditioning matrix at each iteration. The preconditioner possesses second-order information and can guide the random walk of a sampler efficiently. Instead of computing and saving the full Hessian of the log posterior, we use limited memory of the samples and their stochastic gradients to approximate the inverse Hessian-vector multiplication in the updating formula. Moreover, by smoothly optimizing the preconditioning matrix via SA, our proposed algorithm can asymptotically converge to the target distribution with a controllable bias under mild conditions. To reduce the training and testing computational burden, we adopt a magnitude-based weight pruning method to enforce the sparsity of the network. Our method is user-friendly and demonstrates better learning results compared to standard SG-MCMC updating rules. The approximation of inverse Hessian alleviates storage and computational complexities for large dimensional models. Numerical experiments are performed on several problems, including sampling from 2D correlated distribution, synthetic regression problems, and learning the numerical solutions of heterogeneous elliptic PDE. The numerical results demonstrate great improvement in both the convergence rate and accuracy.

97 MATHEMATICS AND COMPUTING↗

Probabilistic Modeling of a Three-Stage Human Landing System Architecture

Space Policy Directive-1 has led to NASA partnerships with commercial entities on procurement which includes the development of the Human Landing System (HLS) [1]. With the goal of delivering human crew to the lunar surface by 2024, system uncertainties become an important obstacle to the maturation of multiple new, driving technologies and mission concepts of the HLS program. As unmitigated uncertainties have previously led to failed development programs, these risks and their impacts must be understood and handled to ensure program success [2]. Sources of uncertainty include novel engine designs and configurations, increased reliance on cryogenic fluid management(CFM), and refueling technologies—which propagate as high-level performance metrics such as overall propellant mass and engine performance. Also, the occurrence of operational uncertainties—e.g. launch conditions or need to abort during the mission—can cause cascading effects on the rest of the mission that are difficult to definitively quantify, and are outside the scope of control. These concrete examples and other occurrences can be categorized as either epistemic or aleatory uncertainties.Epistemic uncertainty arises due to a lack of knowledge and can be alleviated with design and program maturation. Aleatory uncertainty is due to the inherent randomness of the system and cannot be directly reduced, unlike epistemic uncertainty. Robust design and probabilistic methods can compensate for aleatory effects. A taxonomy of uncertainty is referred to for this work [3]. In this paper, a probabilistic methodology to handle uncertainties has been demonstrated on a three-element HLS concept [1, 4], which allows tracking of current best estimates of the concept and assessment of concept design robustness against uncertainties. A sample case has been completed for this abstract, and an expansion on the methodology will be included in the final paper. This methodology has two key parts: first, the creation of a dynamic architecture model of a three-element HLS concept; and second, its use with surrogate modeling and range estimating techniques to capture and propagate uncertainties. This abstract will cover the basics of the approach used, and further details and justifications will be in the final paper.The mission profile associated with this three-element concept (Fig 1) was modeled as a set of mission events that facilitated mass changes, idles, or spacecraft maneuvers. The mission profile scope starts with each element’s NRHO orbit insertion and aggregation and ends at post-sortie rendezvous with Orion. More detail on the mission profile will be in the final paper. The DYnamic Rocket EQuation Tool (DYREQT), a space systems synthesis and sizing framework used by NASA, was used as the physics framework to model the HLS architecture for applying the probabilistic methodology [5, 6]. Specifically, a parametric representation of the lander, ascent, and transfer elements and the mission profile of each element was established, with vehicle and mission parameters available as inputs to allow for a dynamic model. Each vehicle stage was modeled with high-level performance metrics, using Isp and propellant mass fraction (PMF) to remain parametric. For the probabilistic analysis, uncertainties of interest within the HLS concept were enumerated and represented as parameters within the DYREQT model as inputs for vehicle stages or mission profile events. These parameters were frozen at their nominal values for the purposes of baselining architecture performance and sizing the vehicle appropriately based on reference documentation [1]. Range estimating—a probabilistic method that combines Monte Carlo sampling, focus on critical parameters, and heuristics to assess risk and opportunities—is traditionally used with Mass Equipment Lists (MELs), but has been adapted with operational parameters as well as vehicle parameters in theDYREQT model to capture mission uncertainty alongside vehicle uncertainty [7, 3]. This method was selected due to its application and insight on a system from a bottom-up perspective, independence from historical rules of thumb, and ability to generate sensitivities based on design decisions and uncertainties. As a sample case for the abstract, the boiloff rates of the vehicle elements and the loiter times during the mission (simulating launch time variations and changing window of opportunities) were used with range estimating to provide preliminary results. To perform the range estimation portion of this methodology (depicted in Fig. 3, further details in final paper), the DYREQT model was sampled using a Design of Experiments (DoE) to efficiently explore the architecture design space with respect to the sample set of uncertainty parameters; 5,000 cases via Latin Hypercube Sampling were computed on the DYREQT architecture model. Then, the results were used to create surrogate models, multivariate regressions that can visualize hypercube trends in the design space, of the architecture with respect to the uncertainty parameters. Range estimating was applied to the surrogates instead of the actual models, which saves computational expense due to the bulk of cases needed for the Monte Carlo simulation as part of range estimating. Uncertainty parameters were sampled independently from triangular distributions using the DoE ranges as ‘min’ and ‘max’, and the nominal value as ‘most likely’. Based engineering intuition, some uncertainty parameters are correlated—e.g. if the main propellant has a high boil-off rate, the oxidizer should follow suit as both are related to CFM technology.While a Monte Carlo simulation samples all inputs as independent, the results would show model correlations; thus, it is efficient to sample the inputs as correlated. Using a correlation matrix constructed for the uncertainty parameters, previously independent samples were transformed to perform a Correlated Monte Carlo. A table for the DoE ranges and probability distribution parameters is shown in Table 1, and more details on Correlated Monte Carlo Simulations will be discussed in the final paper. The model’s resulting DoE showed that multivariate polynomial equations fit via least squares method captured its behavior accurately for the sample case. For the Correlated Monte Carlo Simulation, a positive correlation between fuel and oxidizer boiloff rates was used as a demonstration. 10,000 cases were computed with the surrogates and the launched masses for each vehicle element was collated. The results can be displayed in a probability density function (PDF), showing the impact of the uncertainty parameters chosen. Integrating the PDFs will yield a cumulative distribution function (CDF) that shows the cumulative probability of a given value on the x-axis. For the sample case, the elements’ launch mass margin was calculated and represented in as CDFs, as a demonstrated representation of figures of merit for the HLS concept. For the lander and ascent elements, the NRHO mass insertion limit is 16t; the transfer element has a limit of 30t [1]. It can be seen with Figure 2 that this probabilistic methodology can provide insight into mass margin with respect to the uncertainties being modeled. Currently, the results show that the lander (descent) vehicle element has the most restrictive design space; it is the only element to show a 10% probability of negative margin. Further analysis on the Monte Carlo results will show sensitivities for driving constraints and parameters for architecture feasibility, which can lead to establishing potential mission rules.The combination of range estimating with a parametric architecture model for HLS demonstrated the capability of this probabilistic methodology in a sample case. As the HLS development progresses, this methodology has the potential for keeping current best estimates of architecture performance for awarded concepts due to the flexibility in DYREQT’s modeling framework and its parametric nature. Concept maturation and increased epistemic knowledge can be injected into the model probabilistic modeling, and thus continue to track probability of mission success.

Stephanie Y Zhu↗

Effect of Distributed Patch of Smooth Roughness Elements on Transition in a High-Speed Boundary Layer

Surface roughness is known to have a substantial impact on the aerothermodynamic loading of hypersonic vehicles, particularly via its influence on the laminar-turbulent transition process within the boundary layer. Numerical simulations are performed to investigate the effects of a distributed region of densely packed, smooth-shaped roughness elements on the laminar boundary layer over a 7-degree half-angle, circular cone for flow conditions corresponding to a selected trajectory point from the ascent phase of the HIFiRE-1 flight experiment. For peak-to-valley roughness heights of 50 percent or less in comparison with the thickness of the unperturbed boundary layer, the computations converge to a stationary flow, suggesting that the flow is globally stable. Analysis of convective instabilities in the wake of the roughness patch indicates two dominant families of unstable disturbances, namely, a high frequency mode that corresponds to Mack mode waves modified by the wake and a lower frequency mode that corresponds to shear layer instabilities associated with the streaks in the roughness wake. Even though the peak growth rate of the later mode is more than 35 percent greater than the peak growth rates of the Mack modes, the latter modes achieve higher amplification ratios, and hence, are likely to dominate the onset of transition, which is estimated to occur slightly later than that in the unperturbed, i.e., smooth surface boundary layer. Additional computations are performed to investigate the effects of various roughness patch configurations on a Mach 3.5 flat plate boundary layer, to help guide an upcoming experiment in the Mach 3.5 Supersonic Low Disturbance Tunnel at NASA Langley Research Center. In this case, the cumulative reinforcement of basic state distortion over the length of the roughness patch is predicted to yield a significantly earlier transition than that over a smooth plate or a plate with a shorter length roughness patch.

Meelan Choudhari↗

Uncertainty quantification and propagation in lithium-ion battery electrodes using bayesian convolutional neural networks

The complex nature of manufacturing processes stipulates electrodes to possess high variability with increased heterogeneity during production. X-ray computed tomography imaging has proved to be critical in visualizing the complicated stochastic particle distribution of as-manufactured electrodes in lithium-ion batteries. However, accurate prediction of their electrochemical performance necessitates precise evaluation of kinetic and transport properties from real electrodes. Image segmentation that characterizes voxels to particle/pore phase is often meticulous and fraught with subjectivity owing to a myriad of unconstrained choices and filter algorithms. Here we utilize a Bayesian convolutional neural network to tackle segmentation subjectivity and quantify its pertinent uncertainties. Otsu inter-variance and Blind/Referenceless Imaging Spatial Quality Evaluator are used to assess the relative image quality of grayscale tomograms, thus evaluating the uncertainty in the derived microstructural attributes. We analyze how image uncertainty is correlated with the uncertainties and magnitude of kinetic and transport properties of an electrode, further identifying pathways of uncertainty propagation within microstructural attributes. The coupled effect of spatial heterogeneity and microstructural anisotropy on the uncertainty quantification of transport parameters is also understood. This work demonstrates a novel methodology to extract microstructural descriptors from real electrode images through quantification of associated uncertainties and discerning the relative strength of their propagation, thus facilitating feedback to manufacturing processes from accurate image based electrochemical simulations.

25 ENERGY STORAGE↗

A cell-centered AMR-ALE framework for 3D multi-material hydrodynamics. Part I: Lagrangian and indirect Euler AMR algorithms

Many applications of physics and engineering involve wide ranges of time and spatial scales. The numerical simulation of localized small scales such as shock waves and material interfaces requires a large number of computational cells in these regions. For these applications, Lagrangian and Arbitrary-Lagrangian-Eulerian (ALE) related methods are engaging since the moving mesh feature naturally brings mesh cells on shock discontinuities and material interfaces are carefully captured. In addition, Adaptive-Mesh-Refinement (AMR) strategies aim to optimize computational resources by concentrating finer mesh cells only in areas of interest while using coarser cells elsewhere. A key but challenging AMR requirement consists in efficiently distributing the computational effort to achieve high accuracy without the prohibitive computational costs associated with uniformly fine grids. Here, in this document, the coupling of the p4est AMR library with a cell-centered Lagrangian scheme is presented with the goal to perform reliable 3D Lagrangian-AMR and indirect Euler-AMR multi-material simulations. In particular, it is shown that starting from a 3D indirect ALE code, the memory management and load balancing requirements can be delegated to an external library (here the p4est library) to unlock ALE-AMR capabilities. First, we present a strategy to transcribe the octant-based connectivity of the 3D AMR framework with that of an unstructured mesh of polygonal cells used in Lagrangian hydrodynamics. Then, we show how refinement and coarsening operations must be adapted to the particular Lagrangian framework to ensure the conservation of volume during those steps. Finally, several numerical test cases are presented that demonstrate the capabilities of the Lagrangian-AMR and indirect Euler-AMR algorithms.

3D cell-centered Lagrangian numerical scheme↗

Quantum simulations of dark sector showers

We consider dark sector scenarios where dark matter is accompanied by a dark photon and multiple-flavor dark fermions charged under the dark gauge group. We study quantum interference effects in dark sector jets, where multiple dark photons are emitted from high-energy dark fermions. We perform fully quantum simulations of dark sector showers and compare the results against those of the classical Monte-Carlo simulations. We find important differences in probability distributions of dark photon countings between quantum and classical computations. When the number of dark-fermion flavors is large, we find significant enhancements in large numbers of dark photon emissions. Such enhancements can provide distinguishing signals for our scenarios at particle colliders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗