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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 307 records · Page 17

GSAS Tools

SAND2023-06684O GSAS Tools is a web application that manages user access to modeling and simulation tools and promotional material. This software, which is a spiking neural network (SNN) simulator, represents an SNN as a graph of stochastic differential equations and simulates the time-evolution of these equations. It has the capability of reading inputs from file and writing outputs to file, and generally supports experimentation, analysis, and algorithm development using SNNs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Noel, Todd↗

GentenMPI: Distributed Memory Sparse Tensor Decomposition

GentenMPl is a toolkit of sparse canonical polyadic (CP) tensor decomposition algorithms that is designed to run effectively on distributed-memory high-performance computers. Its use of distributed-memory parallelism enables it to efficiently decompose tensors that are too large for a single compute node's memory. GentenMPl leverages Sandia's decades-long investment in the Trilinos solver framework for much of its parallel-computation capability. Trilinos contains numerical algorithms and linear algebra classes that have been optimized for parallel simulation of complex physical phenomena. This work applies these tools to the data science problem of sparse tensor decomposition. In this report, we describe the use of Trilinos in GentenMPl, extensions needed for sparse tensor decomposition, and implementations of the CP-ALS (CP via alternating least squares) and GCP-SGD (generalized CP via stochastic gradient descent) sparse tensor decomposition algorithms. We show that GentenMPl can decompose sparse tensors of extreme size, e.g., a 12.6-terabyte tensor on 8192 computer cores. We demonstrate that the Trilinos backbone provides good strong and weak scaling of the tensor decomposition algorithms.

97 MATHEMATICS AND COMPUTING↗

Efficient Stochastic Inversion Using Adjoint Models and Kernel-PCA

Performing stochastic inversion on a computationally expensive forward simulation model with a high-dimensional uncertain parameter space (e.g. a spatial random field) is computationally prohibitive even when gradient information can be computed efficiently. Moreover, the ‘nonlinear’ mapping from parameters to observables generally gives rise to non-Gaussian posteriors even with Gaussian priors, thus hampering the use of efficient inversion algorithms designed for models with Gaussian assumptions. In this paper, we propose a novel Bayesian stochastic inversion methodology, which is characterized by a tight coupling between the gradient-based Langevin Markov Chain Monte Carlo (LMCMC) method and a kernel principal component analysis (KPCA). This approach addresses the ‘curse-of-dimensionality’ via KPCA to identify a low-dimensional feature space within the high-dimensional and nonlinearly correlated parameter space. In addition, non-Gaussian posterior distributions are estimated via an efficient LMCMC method on the projected low-dimensional feature space. We will demonstrate this computational framework by integrating and adapting our recent data-driven statistics-on-manifolds constructions and reduction-through-projection techniques to a linear elasticity model.

42 ENGINEERING↗

A Machine Learning-Genetic Algorithm (ML-GA) Approach for Rapid Optimization Using High-Performance Computing

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC). The outputs (targets) of interest from these simulations included five metrics related to engine performance and emissions. Over 2000 samples generated from CFD were then used to train an ML model that could predict these five targets based on the nine input features. A robust super learner approach was employed to build the ML model, where results from a collection of different ML algorithms were pooled together. Thereafter, a stochastic global optimization genetic algorithm (GA) was used, with the ML model as the objective function, to optimize the input parameters based on a merit function so as to minimize fuel consumption while satisfying CO and NOx emissions constraints. The optimized configuration from ML-GA was found to be very close to that obtained from a sequentially performed CFD-GA approach, where a CFD simulation served as the objective function. In addition, the overall turnaround time was (at least) 75% lower with the ML-GA approach, as the training data was generated from concurrent CFD simulations and employing the ML model as the objective function significantly accelerated the GA optimization. Finally, this study demonstrates the potential of ML-GA and high-performance computing (HPC) to reduce the number of CFD simulations to be performed for optimization problems without loss in accuracy, thereby providing significant cost savings compared to traditional approaches.

97 MATHEMATICS AND COMPUTING↗

Uncertainty Quantification and Parameter Tuning in the CAM5 Zhang-McFarlane Convection Scheme and Impact of Improved Convection on the Global Circulation and Climate

In this study, we applied an uncertainty quantification (UQ) technique to improve convective precipitation in the global climate model, the Community Atmosphere Model version 5 (CAM5), in which the convective and stratiform precipitation partitioning is very different from observational estimates. We examined the sensitivity of precipitation and circulation to several key parameters in the Zhang-McFarlane deep convection scheme in CAM5, using a stochastic importance-sampling algorithm that can progressively converge to optimal parameter values. The impact of improved deep convection on the global circulation and climate was subsequently evaluated. Our results show that the simulated convective precipitation is most sensitive to the parameters of the convective available potential energy consumption time scale, parcel fractional mass entrainment rate, and maximum downdraft mass flux fraction. Using the optimal parameters constrained by the observed Tropical Rainfall Measuring Mission, convective precipitation improves the simulation of convective to stratiform precipitation ratio and rain-rate spectrum remarkably. When convection is suppressed, precipitation tends to be more confined to the regions with strong atmospheric convergence. As the optimal parameters are used, positive impacts on some aspects of the atmospheric circulation and climate, including reduction of the double Intertropical Convergence Zone, improved East Asian monsoon precipitation, and improved annual cycles of the cross-equatorial jets, are found as a result of the vertical and horizontal redistribution of latent heat release from the revised parameterization. Positive impacts of the optimal parameters derived from the 2 simulations are found to transfer to the 1 simulations to some extent.

CAM5↗

State Estimation for Distribution Networks with Asynchronous Sensors Using Stochastic Descent: Preprint

This paper investigates the problem of state estimation for distribution networks with asynchronous sensors comprising of a mix of smart meters and phasor measurement units (PMUs) with multiple sampling and reporting rates. We consider two independent scenarios of state estimation and tracking, with either voltages or currents as states. With these two sets, we investigate estimation under (a) full data, assuming all measurements are available and (b) limited data, where an online algorithmic approach is adopted to estimate the possibly time-varying states by processing measurements as and when available. The proposed algorithm, inspired by the classical Stochastic Gradient Descent (SGD) approach updates the states based on the previous estimate and the newly available measurements. Finally, we demonstrate the estimation and tracking efficacy through numerical simulations on the IEEE-37 test network, while also highlighting how estimation with currents as states leads to faster convergence.

asynchronous sensors↗

MODELING OF THE INITIAL MASS FUNCTION USING THE METROPOLIS-HASTINGS ALGORITHM

A stochastic model has been developed for the hierarchical fragmentation of a molecular cloud. Here, the number of fragments, time between successive fragmentation steps, and mass of a fragment are considered as random variables, and fragment masses are generated using the Metropolis-Hastings algorithm. The resulting mass spectra, computed at different projected distances and taking opacity into consideration, show a signature of mass segregation. The critical mass, mass spectrum, and mass segregation are consistent with the observations of young massive clusters in our Galaxy as well as in external galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Implicit and explicit schemes for mass consistency preservation in hybrid particle/finite-volume algorithms for turbulent reactive flows

This work addresses the issue of particle mass consistency in Large Eddy Simulation/Probability Density Function (LES/PDF) methods for turbulent reactive flows. Numerical schemes for the implicit and explicit enforcement of particle mass consistency (PMC) are introduced, and their performance is examined in a representative LES/PDF application, namely the Sandia–Sydney Bluff-Body flame HM1. A new combination of interpolation schemes for velocity and scalar fields is found to better satisfy PMC than multilinear and fourth-order Lagrangian interpolation. A second-order accurate time-stepping scheme for stochastic differential equations (SDE) is found to improve PMC relative to Euler time stepping, which is the first time that a second-order scheme is found to be beneficial, when compared to a first-order scheme, in an LES/PDF application. An explicit corrective velocity scheme for PMC enforcement is introduced, and its parameters optimized to enforce a specified PMC criterion with minimal corrective velocity magnitudes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Wheat forecast economics effect study

A model to assess the value of improved information regarding the inventories, productions, exports, and imports of crop on a worldwide basis is discussed. A previously proposed model is interpreted in a stochastic control setting and the underlying assumptions of the model are revealed. In solving the stochastic optimization problem, the Markov programming approach is much more powerful and exact as compared to the dynamic programming-simulation approach of the original model. The convergence of a dual variable Markov programming algorithm is shown to be fast and efficient. A computer program for the general model of multicountry-multiperiod is developed. As an example, the case of one country-two periods is treated and the results are presented in detail. A comparison with the original model results reveals certain interesting aspects of the algorithms and the dependence of the value of information on the incremental cost function.

Mehra, R. K.↗

An adaptive tracking observer for failure-detection systems

The design problem of adaptive observers applied to linear, constant and variable parameters, multi-input, multi-output systems, is considered. It is shown that, in order to keep the observer's (or Kalman filter) false-alarm rate (FAR) under a certain specified value, it is necessary to have an acceptable proper matching between the observer (or KF) model and the system parameters. An adaptive observer algorithm is introduced in order to maintain desired system-observer model matching, despite initial mismatching and/or system parameter variations. Only a properly designed adaptive observer is able to detect abrupt changes in the system (actuator, sensor failures, etc.) with adequate reliability and FAR. Conditions for convergence for the adaptive process were obtained, leading to a simple adaptive law (algorithm) with the possibility of an a priori choice of fixed adaptive gains. Simulation results show good tracking performance with small observer output errors and accurate and fast parameter identification, in both deterministic and stochastic cases.

Sidar, M.↗

Design of analytical failure detection using secondary observers

The problem of designing analytical failure-detection systems (FDS) for sensors and actuators, using observers, is addressed. The use of observers in FDS is related to the examination of the n-dimensional observer error vector which carries the necessary information on possible failures. The problem is that in practical systems, in which only some of the components of the state vector are measured, one has access only to the m-dimensional observer-output error vector, with m or = to n. In order to cope with these cases, a secondary observer is synthesized to reconstruct the entire observer-error vector from the observer output error vector. This approach leads toward the design of highly sensitive and reliable FDS, with the possibility of obtaining a unique fingerprint for every possible failure. In order to keep the observer's (or Kalman filter) false-alarm rate under a certain specified value, it is necessary to have an acceptable matching between the observer (or Kalman filter) models and the system parameters. A previously developed adaptive observer algorithm is used to maintain the desired system-observer model matching, despite initial mismatching or system parameter variations. Conditions for convergence for the adaptive process are obtained, leading to a simple adaptive law (algorithm) with the possibility of an a priori choice of fixed adaptive gains. Simulation results show good tracking performance with small observer output errors, while accurate and fast parameter identification, in both deterministic and stochastic cases, is obtained.

Sisar, M.↗

Subgrid Combustion Modeling for the Next Generation National Combustion Code

In the first year of this research, a subgrid turbulent mixing and combustion methodology developed earlier at Georgia Tech has been provided to researchers at NASA/GRC for incorporation into the next generation National Combustion Code (called NCCLES hereafter). A key feature of this approach is that scalar mixing and combustion processes are simulated within the LES grid using a stochastic 1D model. The subgrid simulation approach recovers locally molecular diffusion and reaction kinetics exactly without requiring closure and thus, provides an attractive feature to simulate complex, highly turbulent reacting flows of interest. Data acquisition algorithms and statistical analysis strategies and routines to analyze NCCLES results have also been provided to NASA/GRC. The overall goal of this research is to systematically develop and implement LES capability into the current NCC. For this purpose, issues regarding initialization and running LES are also addressed in the collaborative effort. In parallel to this technology transfer effort (that is continuously on going), research has also been underway at Georgia Tech to enhance the LES capability to tackle more complex flows. In particular, subgrid scalar mixing and combustion method has been evaluated in three distinctly different flow field in order to demonstrate its generality: (a) Flame-Turbulence Interactions using premixed combustion, (b) Spatially evolving supersonic mixing layers, and (c) Temporal single and two-phase mixing layers. The configurations chosen are such that they can be implemented in NCCLES and used to evaluate the ability of the new code. Future development and validation will be in spray combustion in gas turbine engine and supersonic scalar mixing.

Menon, Suresh↗

Numerical heating in particle-in-cell simulations with Monte Carlo binary collisions

The binary Monte Carlo (MC) collision algorithm is a standard and robust method to include binary Coulomb collision effects in particle-in-cell (PIC) simulations of plasmas. Here we show that the coupling between PIC and MC algorithms can give rise to (nonphysical) numerical heating of the system that significantly exceeds that observed when these algorithms operate independently. We argue that this deleterious effect results from an inconsistency between the particle motion associated with MC collisions and the work performed by the collective electromagnetic field on the PIC grid. This inconsistency manifests as the (artificial) stochastic production of electromagnetic energy, which ultimately heats the plasma particles. Here, the MC-induced numerical heating can significantly impact the evolution of the simulated system for long simulation times (≳10 3 collision periods, for typical numerical parameters). We describe the source of the MC-induced numerical heating analytically and discuss strategies to minimize it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Developing and Implementing the Data Mining Algorithms in RAVEN

The RAVEN code is becoming a comprehensive tool to perform probabilistic risk assessment, uncertainty quantification, and verification and validation. The RAVEN code is being developed to support many programs and to provide a set of methodologies and algorithms for advanced analysis. Scientific computer codes can generate enormous amounts of data. To post-process and analyze such data might, in some cases, take longer than the initial software runtime. Data mining algorithms/methods help in recognizing and understanding patterns in the data, and thus discover knowledge in databases. The methodologies used in the dynamic probabilistic risk assessment or in uncertainty and error quantification analysis couple system/physics codes with simulation controller codes, such as RAVEN. RAVEN introduces both deterministic and stochastic elements into the simulation while the system/physics code model the dynamics deterministically. A typical analysis is performed by sampling values of a set of parameter values. A major challenge in using dynamic probabilistic risk assessment or uncertainty and error quantification analysis for a complex system is to analyze the large number of scenarios generated. Data mining techniques are typically used to better organize and understand data, i.e. recognizing patterns in the data. This report focuses on development and implementation of Application Programming Interfaces (APIs) for different data mining algorithms, and the application of these algorithms to different databases.

97 MATHEMATICS AND COMPUTING↗

Modeling Stress Strain Relationships and Predicting Failure Probabilities For Graphite Core Components

This project will implement inelastic constitutive models that will yield the requisite stress-strain information necessary for graphite component design. Accurate knowledge of stress states (both elastic and inelastic) is required to assess how close a nuclear core component is to failure. Strain states are needed to assess deformations in order to ascertain serviceability issues relating to failure, e.g., whether too much shrinkage has taken place for the core to function properly. Failure probabilities, as opposed to safety factors, are required in order to capture the bariability in failure strength in tensile regimes. The current stress state is used to predict the probability of failure. Stochastic failure models will be developed that can accommodate possible material anisotropy. This work will also model material damage (i.e., degradation of mechanical properties) due to radiation exposure. The team will design tools for components fabricated from nuclear graphite. These tools must readily interact with finite element software--in particular, COMSOL, the software algorithm currently being utilized by the Idaho National Laboratory. For the eleastic response of graphite, the team will adopt anisotropic stress-strain relationships available in COMSO. Data from the literature will be utilized to characterize the appropriate elastic material constants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Globally Optimal Particle Tracking Technique for Stereo Imaging Velocimetry Experiments

An important phase of any Stereo Imaging Velocimetry experiment is particle tracking. Particle tracking seeks to identify and characterize the motion of individual particles entrained in a fluid or air experiment. We analyze a cylindrical chamber filled with water and seeded with density-matched particles. In every four-frame sequence, we identify a particle track by assigning a unique track label for each camera image. The conventional approach to particle tracking is to use an exhaustive tree-search method utilizing greedy algorithms to reduce search times. However, these types of algorithms are not optimal due to a cascade effect of incorrect decisions upon adjacent tracks. We examine the use of a guided evolutionary neural net with simulated annealing to arrive at a globally optimal assignment of tracks. The net is guided both by the minimization of the search space through the use of prior limiting assumptions about valid tracks and by a strategy which seeks to avoid high-energy intermediate states which can trap the net in a local minimum. A stochastic search algorithm is used in place of back-propagation of error to further reduce the chance of being trapped in an energy well. Global optimization is achieved by minimizing an objective function, which includes both track smoothness and particle-image utilization parameters. In this paper we describe our model and present our experimental results. We compare our results with a nonoptimizing, predictive tracker and obtain an average increase in valid track yield of 27 percent

McDowell, Mark↗

Detection of chaotic determinism in time series from randomly forced maps

Time series from biological system often display fluctuations in the measured variables. Much effort has been directed at determining whether this variability reflects deterministic chaos, or whether it is merely "noise". Despite this effort, it has been difficult to establish the presence of chaos in time series from biological sytems. The output from a biological system is probably the result of both its internal dynamics, and the input to the system from the surroundings. This implies that the system should be viewed as a mixed system with both stochastic and deterministic components. We present a method that appears to be useful in deciding whether determinism is present in a time series, and if this determinism has chaotic attributes, i.e., a positive characteristic exponent that leads to sensitivity to initial conditions. The method relies on fitting a nonlinear autoregressive model to the time series followed by an estimation of the characteristic exponents of the model over the observed probability distribution of states for the system. The method is tested by computer simulations, and applied to heart rate variability data.

Non-NASA Center↗

Rare-event Simulation for Stochastic Korteweg-de Vries Equation

An asymptotic analysis of the tail probabilities for the dynamics of a soliton wave $U(x,t)$ under a stochastic time-dependent force is developed. The dynamics of the soliton wave $U(x,t)$ is described by the Korteweg-de Vries Equation with homogeneous Dirichlet boundary conditions under a stochastic time-dependent force, which is modeled as a time-dependent Gaussian noise with amplitude $\epsilon$. The tail probability we considered is $w(b) :=P(\sup_{t\in [0,T]} U(x,t) > b ),$ as $b\rightarrow \infty,$ for some constant $T>0$ and a fixed $x$, which can be interpreted as tail probability of the amplitude of water wave on shallow surface of a fluid or long internal wave in a density-stratified ocean. Our goal is to characterize the asymptotic behaviors of $w(b)$ and to evaluate the tail probability of the event that the soliton wave exceeds a certain threshold value under a random force term. Such rare-event calculation of $w(b)$ is very useful for fast estimation of the risk of the potential damage that could caused by the water wave in a density-stratified ocean modeled by the stochastic KdV equation. In this work, the asymptotic approximation of the probability that the soliton wave exceeds a high-level $b$ is derived. In addition, we develop a provably efficient rare-event simulation algorithm to compute $w(b)$. The efficiency of the algorithm only requires mild conditions and therefore it is applicable to a general class of Gaussian processes and many diverse applications.

Xu, Gongjun↗