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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 1,639 records · Page 91

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DOE OSTI2014

Studies of Analytic Evolution of Two-Photon Generalized Distribution Amplitude in QCD

We extend our method of analytic ERBL evolution for the case of distribution amplitudes that have jumps at some points x = {zeta}{sub I} inside the support region 0 < x < 1. As an application of the method, we use it for evolution of the two-photon generalized distribution amplitude. Our approach has advantages over the standard method of expansion in Gegenbauer polynomials, which requires infinite number of terms in order to accuretly reproduce functions in the vicinity of singular points, and over the method of straightforward iteration of initial distribution with evolution kernel which produces logarithmically divergent terms at each iteration. In our method, the logarithmic singularities are summed from the start, which immediately produces a continuous curve, with only one or two iterations needed afterwards in order to get precise results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2011

Design and Implementation of “Many Parallel Task” Hybrid Subsurface Model

Continuum scale models have been used to study subsurface flow, transport, and reactions for many years. Recently, pore scale models, which operate at scales of individual soil grains, have been developed to more accurately model pore scale phenomena, such as precipitation, that may not be well represented at the continuum scale. However, particle-based models become prohibitively expensive for modeling realistic domains. Instead, we are developing a hybrid model that simulates the full domain at continuum scale and applies the pore model only to areas of high reactivity. The hybrid model uses a dimension reduction approach to formulate the mathematical exchange of information across scales. Since the location, size, and number of pore regions in the model varies, an adaptive Pore Generator is being implemented to define pore regions at each iteration. A fourth code will provide data transformation from the pore scale back to the continuum scale. These components are coupled into a single hybrid model using the SWIFT workflow system. Our hybrid model workflow simulates a kinetic controlled mixing reaction in which multiple pore-scale simulations occur for every continuum scale timestep. Each pore-scale simulation is itself parallel, thus exhibiting multi-level parallelism. Our workflow manages these multiple parallel tasks simultaneously, with the number of tasks changing across iterations. It also supports dynamic allocation of job resources and visualization processing at each iteration. We discuss the design, implementation and challenges associated with building a scalable, Many Parallel Task, hybrid model to run efficiently on thousands to tens of thousands of processors.

workflow, Many task, Subsurface↗

DOE OSTI2023

Efficient QAOA Optimization using Directed Restarts and Graph Lookup

Variational Quantum Algorithms (VQA) aim to enhance the capabilities of Noisy Intermediate-Scale Quantum (NISQ) devices. These algorithms utilize parameterized circuits and classical optimizers to iteratively execute circuits with varying parameters. However, VQA faces computational overheads due to repeated iterations and random restarts. Prior work suggests using basic sub-graphs to transfer parameters for the input graph, reducing optimizer overheads but limiting applicability to structured regular graphs. In real-world applications, random irregular graphs are common, and existing methods are not scalable or practical for such graphs. This paper presents a framework that aims to improve random irregular graphs in VQA. The framework uses graph similarity and important features like total edge counts, average edge counts, and variance. It follows an iterative process to choose basis sub-graphs from a small database and adjust parameters accordingly. Classical optimizers then utilize these parameters to determine when to restart and perform gradient descent. This approach increases the chances of reaching global maximum points.

Wang, Meng↗

DOE OSTI2019

Modelling of Ablatant Deposition from Electromagnetically Driven Radiative Pellets for Disruption Mitigation Studies

The Electromagnetic Particle Injector (EPI) concept is advanced through the simulation of ablatant deposition into ITER H-mode discharges with calculations showing penetration past the H-mode pedestal for a range of injection velocities and granule sizes concurrent with the requirements of disruption mitigation. As discharge stored energy increases in future fusion devices such as ITER, control and handling of disruption events becomes a critical issue. An unmitigated disruption could lead to failure of the plasma facing components resulting in financially and politically costly repairs. Methods to facilitate the quench of an unstable high current discharge are required. With the onset warning time for some ITER disruption events estimated to be less than 10 ms, a disruption mitigation system needs to be considered which operates at injection speeds greater than gaseous sound speeds. Such an actuator could then serve as a means to augment presently planned pneumatic injection systems. The EPI uses a rail gun concept whereby a radiative payload is delivered into the discharge by means of the JxB forces generated by an external current pulse, allowing for injection velocities in excess of 1 km/s. The present status of the EPI project is outlined, including the addition of boost magnetic coils. These coils augment the self-generated rail gun magnetic field and thus provide a more efficient acceleration of the payload. The coils and the holder designed to constrain them have been modelled with the ANSYS code to ensure structural integrity through the range of operational coil cu

disruption↗

DOE OSTI2013

Xyce(™) Parallel Electronic Simulator

The Xyce Parallel Electronic Simulator simulates electronic circuit behavior in DC, AC, HB, MPDE and transient mode using standard analog (DAE) and/or device (PDE) device models including several age and radiation aware devices. It supports a variety of computing platforms (both serial and parallel) computers. Lastly, it uses a variety of modern solution algorithms dynamic parallel load-balancing and iterative solvers.! ! Xyce is primarily used to simulate the voltage and current behavior of a circuit network (a network of electronic devices connected via a conductive network). As a tool, it is mainly used for the design and analysis of electronic circuits.! ! Kirchoff's conservation laws are enforced over a network using modified nodal analysis. This results in a set of differential algebraic equations (DAEs). The resulting nonlinear problem is solved iteratively using a fully coupled Newton method, which in turn results in a linear system that is solved by either a standard sparse-direct solver or iteratively using Trilinos linear solver packages, also developed at Sandia National Laboratories.

Source record↗

DOE OSTI2022

Xyce(™) Parallel Electronic Simulator v.7.5

Source record↗

DOE OSTI2013

Xyce(™) Parallel Electronic Simulator v.7.6

Keiter, Eric↗

DOE OSTI2025

A Data Processing Pipeline To Extract A Knowledge Graph From Heterogeneous Data For Socio-technical Analysis Of Critical Infrastructure Influence

The code is written in Python and consists of the following pipeline that is implemented in Apache Airflow. This pipeline intends to understand the companies that are directly or indirectly involved with a type of critical infrastructure system at some point in that system's lifecycle. The pipeline takes a configuration file that specifies a list of initial companies to consider, a geographic region of interest, and a set of SEC form types as well as other data sources (e.g. CrunchBase) from which to extract entities and relations. There are four main components to this pipeline as currently implemented: Entity Extraction, Network Construction, Analysis, and Visualization. First, Entity Extraction, is implemented as the `topear-extract_organizations` Apache Airflow workflow. Given an initial query that specifies a geographic region of interest and a time interval, the software will extract CI facilities of interest and organizations that have a direct influence relationship to those facilities (e.g. ownership). During the course of the LDRD, we focused on Electric Vehicle charging stations and this information is available via the Department of Energy (DOE) database on fueling stations maintained by NREL. Within the context of the DOE CESER project, we have focused on Battery Energy Storage Systems (BESS). Second, the Network Extraction component will iteratively construct a social network graph given the set of organizations and people extracted in the previous step. Organizations (and eventually People if desired) are then fed as a query to the `topgear-construct_social_network` Apache Airflow workflow which given a set of initial companies and data sets (e.g. SEC EDGAR form types, OpenCorporates, Crunchbase). This Airflow workflow will iteratively query such data sources to discover relationships with new organizations and people. For example, this module can iteratively query SEC EDGAR for metadata that documents the number of each type of form for the given set of companies and their location. This forms metadata represents a catalog of data sources from SEC EDGAR for the extracted social network knowledge graph. The pipeline then downloads these forms from the website and saves them in a build directory for further processing. These documents are then parsed for entities and relations. Again, we note that in additional to SEC data sources, this step can also pull in information on organizations via API services such as CrunchBase and OpenCorporates or bulk data sources. At the end of this step, the resultant social network, the Critical Infrastructure network, and the edges that encode relationships between organizations and CI facilities, form the Adversarial Socio-Technical Network (ASTN) that informs the analysis. Third, the Analysis component processes these generated ASTN. Previously, that has included the ability to compare prevalence of different vendors for a given infrastructure component type across different regions as well as identify common public and private investors across those vendors. This was demonstrated for EV Charging Stations across several different metropolitan areas within an IEEE PES GridEdge publication. More recently, we have looked at ways to identify infrastructure owners and operators of BESS with the most nameplate capacity across different states as well as other indictors of risk resulting from changes in ownership over time. Finally, the Visualization component consists of an HTML/CSS/JS framework by which users can interact geospatial, operational, and organizational relationships across a given portfolio of Critical Infrastructure facilities. The objective is to provide a library of UI/UX modules that can be repurposed for stakeholder-specific dashboards. All of the modules are related via a common event model that enables UI actions in one view to percolate across the other views.

Weaver, Gabriel [Idaho National Laboratory (INL), ↗

DOE OSTI2020

Understanding performance variability in standard and pipelined parallel Krylov solvers

In this work, we collect data from runs of Krylov subspace methods and pipelined Krylov algorithms in an effort to understand and model the impact of machine noise and other sources of variability on performance. We find large variability of Krylov iterations between compute nodes for standard methods that is reduced in pipelined algorithms, directly supporting conjecture, as well as large variation between statistical distributions of runtimes across iterations. Based on these results, we improve upon a previously introduced nondeterministic performance model by allowing iterations to fluctuate over time. We present our data from runs of various Krylov algorithms across multiple platforms as well as our updated non-stationary model that provides good agreement with observations. We also suggest how it can be used as a predictive tool.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Designing a parallel Feel-the-Way clustering algorithm on HPC systems

This paper introduces a new parallel clustering algorithm, named Feel-the-Way clustering algorithm, that provides better or equivalent convergence rate than the traditional clustering methods by optimizing the synchronization and communication costs. Our algorithm design centers on how to optimize three factors simultaneously: reduced synchronizations, improved convergence rate, and retained same or comparable optimization cost. To compare the optimization cost, we use the Sum of Square Error (SSE) cost as the metric, which is the sum of the square distance between each data point and its assigned clusters. Compared with the traditional MPI k-means algorithm, the new Feel-the-Way algorithm requires less communications among participating processes. As for the convergence rate, the new algorithm requires fewer number of iterations to converge. As for the optimization cost, it obtains the SSE costs that are close to the k-means algorithm. In the paper, we first design the full-step Feel-the-Way k-means clustering algorithm that can significantly reduce the number of iterations that are required by the original k-means clustering method. Next, we improve the performance of the full-step algorithm by adopting an optimized sampling-based approach, named reassignment-history-aware sampling. Our experimental results show that the optimized sampling-based Feel-the-Way method is significantly faster than the widely used k-means clustering method, and can provide comparable optimization costs. More extensive experiments with several synthetic datasets and real-world datasets (e.g., MNIST, CIFAR-10, ENRON, and PLACES-2) show that the new parallel algorithm can outperform the open source MPI k-means library by up to 110% on a high-performance computing system using 4,096 CPU cores. In addition, the new algorithm can take up to 51% fewer iterations to converge than the k-means clustering algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Stabilization of the 81-channel coherent beam combination using machine learning

We develop a rapidly converging algorithm for stabilizing a large channel-count diffractive optical coherent beam combination. An 81-beam combiner is controlled by a novel, machine-learning based, iterative method to correct the optical phases, operating on an experimentally calibrated numerical model. A neural-network is trained to detect phase errors based on interference pattern recognition of uncombined beams adjacent to the combined one. Due to the non-uniqueness of solutions in the full space of possible phases, the network is trained within a limited phase perturbation/error range. This also reduces the number of samples needed for training. Simulations have proven that the network can converge in one step for small phase perturbations. When the trained neural-network is applied to a realistic case of 360 degree full range, an iterative scheme exploits random walking at the beginning, with the accuracy of prediction on phase feedback direction, to allow the neural-network to step into the training range for fast convergence. This neural-network-based iterative method of phase detection works tens of times faster than the commonly used stochastic parallel gradient descent approach (SPGD) using a single-detector and random dither when both are tested with random phase perturbations.

Wang, Dan↗

DOE OSTI2011

DAKOTA : a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis.

The DAKOTA (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. DAKOTA contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the DAKOTA toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the DAKOTA software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of DAKOTA-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of DAKOTA's iterative analysis capabilities.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2013

Global Simulation of Plasma Microturbulence at the Petascale & Beyond: Optimizing the GTC Code for Blue Gene/Q (ALCF-2 Early Science Program Technical Report)

Figure 1 shows, schematically, the tokamak device, whose intent is to magnetically confine a high-temperature plasma and produce energy through nuclear fusion. The confined plasma, shown in pink, is toroidal in shape. For several decades now, scientists have been studying and improving these devices, working toward a successful fusion ignition—creating a burning plasma—and sustaining it to generate more power than it took to create it. The next big experimental step will be the International Thermonuclear Experimental Reactor, a twenty billion dollar burning plasma device under construction in France, involving the partnership of seven governments. The human in Figure 2 illustrates the scale of ITER. The magnetic field in the tokamak confines the plasma—ions, electrons, and their heat and momentum. Various kinds of instabilities in the plasma work against that confinement. Turbulent fluctuations can cause transport of particles and energy across the magnetic field lines, toward the outside of the plasma, where it is lost. Loss of plasma and energy, of course, works against confinement and successful fusion. This microturbulence is something the fusion community needs to understand and control. In past and present tokamaks, measurements have shown that the transport of energy and particles caused by microturbulence depends on the size of the tokamak—larger means more transport. This is Bohm scaling. However, theoretical arguments predict that beyond a certain size, which ITER will be beyond, the size dependence goes away, leading to relatively smaller turbulent losses and thus better confinement. This is GyroBohm scaling. The key target of this ESP project is to simulate microturbulent transport for devices of different sizes up through ITER size, and validate and understand GyroBohm scaling.

Tang, William M.↗

DOE OSTI2014

Scalable Nonlinear Compact Schemes

In this work, we focus on compact schemes resulting in tridiagonal systems of equations, specifically the fifth-order CRWENO scheme. We propose a scalable implementation of the nonlinear compact schemes by implementing a parallel tridiagonal solver based on the partitioning/substructuring approach. We use an iterative solver for the reduced system of equations; however, we solve this system to machine zero accuracy to ensure that no parallelization errors are introduced. It is possible to achieve machine-zero convergence with few iterations because of the diagonal dominance of the system. The number of iterations is specified a priori instead of a norm-based exit criterion, and collective communications are avoided. The overall algorithm thus involves only point-to-point communication between neighboring processors. Our implementation of the tridiagonal solver differs from and avoids the drawbacks of past efforts in the following ways: it introduces no parallelization-related approximations (multiprocessor solutions are exactly identical to uniprocessor ones), it involves minimal communication, the mathematical complexity is similar to that of the Thomas algorithm on a single processor, and it does not require any communication and computation scheduling.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis version 6.0 theory manual

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quanti cation, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

A Minimum Variance Algorithm for Overdetermined TOA Equations with an Altitude Constraint.

We present a direct (non-iterative) method for solving for the location of a radio frequency (RF) emitter, or an RF navigation receiver, using four or more time of arrival (TOA) measurements and an assumed altitude above an ellipsoidal earth. Both the emitter tracking problem and the navigation application are governed by the same equations, but with slightly different interpreta- tions of several variables. We treat the assumed altitude as a soft constraint, with a specified noise level, just as the TOA measurements are handled, with their respective noise levels. With 4 or more TOA measurements and the assumed altitude, the problem is overdetermined and is solved in the weighted least squares sense for the 4 unknowns, the 3-dimensional position and time. We call the new technique the TAQMV (TOA Altitude Quartic Minimum Variance) algorithm, and it achieves the minimum possible error variance for given levels of TOA and altitude estimate noise. The method algebraically produces four solutions, the least-squares solution, and potentially three other low residual solutions, if they exist. In the lightly overdermined cases where multiple local minima in the residual error surface are more likely to occur, this algebraic approach can produce all of the minima even when an iterative approach fails to converge. Algorithm performance in terms of solution error variance and divergence rate for bas eline (iterative) and proposed approach are given in tables.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Simulation Center for Runaway Electron Avoidance and Mitigation. Final report

We stand in preparation for ITER with the revelation of a critical need for predictive modeling of runaway electron avoidance and mitigation. It is now widely accepted that a disruption during high current operation could generate multi-MeV runaway electrons which damage the device severely, and threaten the viability of experimental operations. The risk to the mission of ITER is so great, that this predictive capability must be developed via theory and simulation in advance of experimental operations with a thorough validation against present day experiments. The United States is responsible for the design and implementation of the disruption mitigation system on ITER, and in July 2016 the Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM) was launched by the Department of Energy (DOE), in a joint Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) collaboration, to address this need. It is now critical for the U.S. fusion program to continue support for this dedicated center that is establishing the qualitative and quantitative bases for safe operational scenarios and viable mitigation techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗