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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 OSTI2020

INTEGRATION OF FLEX EQUIPMENT AND OPERATOR ACTIONS IN PLANT FORCE-ON-FORCE MODELS WITH DYNAMIC RISK ASSESSMENT

The overall operation and maintenance cost to protect nuclear power plants accounts for approximately 7% of the total cost of power generation, with labor accounting for half of this cost. In the current research, from interaction with utilities and other stakeholders, it was determined that physical security forces account for nearly 20% of the entire workforce at several nuclear power plants. Labor costs continue to rise in the U.S., so any measures to reduce the cost of operating a nuclear power plant will need to include a reduction in labor. The physical security pathway within the DOE’s Light Water Reactor Sustainability program aims to lower the cost of physical security through directed research into modeling and simulation, application of advanced sensors or deployment of advanced weapons. This report presents a modeling and simulation framework for integrating Diverse and Flexible Mitigation Capability (FLEX) portable equipment performance with Force on Force models of a plant’s physical security posture. The generic framework is described in detail, followed by a case study of modeling an adversarial attack aimed at causing a radiological release by sabotaging the plant’s power supply and its ultimate heat sink capabilities at a hypothetical nuclear power plant. Two different FLEX deployment strategies, series and parallel, are modeled with distinct timelines. The results of the adversarial attack modeled in a commercial Force on Force tool are integrated with the FLEX deployment model in INL’s dynamic modeling tool EMRALD. Monte Carlo simulation is used to model the distribution of the timeline in FLEX deployment strategies. The results demonstrate that, even in the extreme case of a successful adversarial attack, deployment of FLEX equipment can result in a significantly high likelihood of preventing radiological release. The modeling and simulation framework integrating FLEX equipment with Force on Force models enables the nuclear power plants to credit FLEX portable equipment in the plant security posture, resulting in an efficient and optimized physical security.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Distributed Louvain Algorithm for Graph Community Detection

In most real-world networks, the nodes/vertices tend to be organized into tightly-knit modules known as communities or clusters, such that nodes within a community are more likely to be “related” to one another than they are to the rest of the network. The goodness of partitioning into communities is typically measured using a well known measure called modularity. However, modularity optimization is an NP-complete problem. In 2008, Blondel, et al. introduced a multi-phase, iterative heuristic for modularity optimization, called the Louvain method. Owing to its speed and ability to yield high quality communities, the Louvain method continues to be one of the most widely used tools for serial community detection. In this paper, we present the design of a distributed memory implementation of the Louvain algorithm for parallel community detection. Our approach begins with an arbitrarily partitioned distributed graph input, and employs several heuristics to speedup the computation of the different steps of the Louvain algorithm. We evaluate our implementation and its different variants using real-world networks from various application domains (including internet, biology, social networks). Our MPI+OpenMP implementation yields about 7x speedup (on 4K processes) for soc-friendster network (1.8B edges) over a state-of-the-art shared-memory multicore implementation (on 64 threads), without compromising output quality. Furthermore, our distributed implementation was able to process a larger graph (uk-2007; 3.3B edges) in 32 seconds on 1K cores (64 nodes) of NERSC Cori, when the state-of-the-art shared-memory implementation failed to run due to insufficient memory on a single Cori node containing 128 GB.

High performance computing, graph algorithms, Dist↗
DOE OSTI2020

kynema-sgf [SWR-20-85]

Kynema-SGF (formerly AMR-Wind), wherein SGF stands for structured-grid fluid dynamics, is a massively parallel, block-structured adaptive-mesh, incompressible flow solver. The codebase was initiated in 2019 from incflo. The solver is built on top of the AMReX library. AMReX library provides the mesh data structures, mesh adaptivity, as well as the linear solvers used for solving the governing equations. Kynema-SGF is actively developed and maintained by a dedicated multi-institutional team from Lawrence Berkeley National Laboratory, National Laboratory of the Rockies, and Sandia National Laboratories. The primary applications for Kynema-SGF are: performing large-eddy simulations (LES) of atmospheric boundary layer (ABL) flows, simulating wind farm turbine-wake interactions using actuator disk or actuator line models for turbines, and as a background solver when coupled with a near-body solver (e.g., Kynema-UGF) with overset methodology to perform blade-resolved simulations of multiple wind turbines within a wind farm. For offshore applications, the ability to model the air-sea interaction effects and its impact on the ABL characteristics is another focus for the code development effort. As with other codes in the Kynema ecosystem, Kynema-SGF shares the following objectives: *an open, well-documented implementation of the state-of-the-art computational models for modeling wind farm flow physics at various fidelities that are backed by a comprehensive verification and validation (V&V) process; *be capable of performing the highest-fidelity simulations of flow fields within wind farms; and *be able to leverage the high-performance leadership class computing facilities available at DOE national laboratories.

Ananthan, Shreyas↗
DOE OSTI2023

Scaling comb-driven resonator-based DWDM silicon photonic links to multi-Tb/s in the multi-FSR regime

The use of chip-based micro-resonator Kerr frequency combs in conjunction with dense wavelength-division multiplexing (DWDM) enables massively parallel intensity-modulated direct-detection data transmission with low energy consumption. Resonator-based modulators and filters used in such systems can limit the number of usable wavelength channels due to practical constraints on the maximum achievable free spectral range (FSR). In this work, we introduce the design of multi-Tb/s comb-driven resonator-based silicon photonic links by leveraging the multi-FSR regime. We demonstrate the viability of the link architecture with yield estimates that are supported by extensive wafer-scale measurements of 704 micro-resonators fabricated in a commercial complementary metal–oxide–semiconductor foundry. We show that a 2.80 Tb/s link is realizable with a ≥6 σ yield (∼99.999%), and that aggregate bandwidths of 3.76 Tb/s and 4.72 Tb/s are possible if yield targets are relaxed (3 σ and 1 σ , respectively). All designs represent a 1.94−3.28× boost to aggregate link bandwidth while maintaining BER≤10 −10 performance, with a theoretical bandwidth of 10.51 Tb/s being possible for sufficiently robust resonators. We use high-speed BER measurements to inform co-optimization of data rate and aggressor spacing ( λ ag ), limiting any additional loss-based power penalties to off-resonance insertion loss (IL) and routing loss. This work demonstrates that, through the multi-FSR regime, there is a clear path toward Kerr comb-driven ultra-broadband, high bandwidth silicon photonic links that can support next-generation data centers and high-performance computers.

James, Aneek (ORCID:0000000262527807)↗
DOE OSTI2023

A family of independent Variable Eddington Factor methods with efficient preconditioned iterative solvers

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with the Discontinuous Galerkin transport discretization from to form effective high-order, linear transport methods. The VEF discretizations are derived by extending the unified analysis of Discontinuous Galerkin methods for elliptic problems presented by Arnold et al. to the VEF equations. This framework is used to define analogs of the interior penalty, second method of Bassi and Rebay, minimal dissipation local Discontinuous Galerkin, and continuous finite element methods. The analysis of subspace correction preconditioners, which use a continuous operator to iteratively precondition the discontinuous discretization, is extended to the case of the non-symmetric VEF system. Numerical results demonstrate that the VEF discretizations have arbitrary-order accuracy on curved meshes, preserve the thick diffusion limit, and are effective on a proxy problem from thermal radiative transfer in both outer transport iterations and inner preconditioned linear solver iterations. We demonstrate that the VEF solution converges to the S N transport solution as the mesh is refined on both problems with smooth and non-smooth behavior in angle. Parallel performance studies show that the interior penalty VEF discretization's linear solve weak scales out to 1024 processors and strong scales well on a single node. Particular attention is paid to the parallel performance of the VEF algorithm when used in combination with a parallel block Jacobi transport sweep.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

Kinematic Modeling of Separation Compression for Paired Approaches to Closely-Spaced Parallel Runways

In a simultaneous paired approach to closely-spaced parallel runways, a pair of aircraft flies in close proximity on parallel approach paths. The longitudinal separation between the aircraft must be maintained within a range that avoids wake encounters and, if one of the aircraft blunders, avoids collision. To increase operational availability, the approach procedure must accommodate a mixture of aircraft sizes and, consequently, approach speeds. In these procedures, the slower aircraft is placed in the lead position. The faster aircraft maintains separation from the slow aircraft in a dependent operation until final approach and flies independently afterward. Due to the higher approach speed of the fast aircraft, longitudinal separation will decrease during final approach. Therefore, the fast aircraft must position itself before the final approach so that it will remain within the safe range of separation as separation decreases. Given the approach geometry and speed schedule for each aircraft, one can use kinematics to estimate the separation loss between a pair of aircraft. A kinematic model can complement fast-time Monte-Carlo simulations of the approach by enabling a tailored reduction in the variation of starting position for the fast aircraft. One could also implement the kinematic model in ground-based or on-board decision support tools to compute the optimal initial separation for a given pair of aircraft. To better match the auto-coupled flight of real aircraft, the paper derives a kinematic model where the speed schedule is flown using equivalent airspeed. The predicted time of flight using the equivalent airspeed kinematic model compares well against a high-fidelity aircraft simulation performing the same approach. This model also demonstrates a modest increase in the predicted loss of separation when contrasted against a kinematic model that assumes the scheduled speed is true airspeed.

Madden, Michael M.↗
NASA NTRS2005

Reusable and Extensible High Level Data Distributions

This paper presents a reusable design of a data distribution framework for data parallel high performance applications. We are implementing the design in the context of the Chapel high productivity programming language. Distributions in Chapel are a means to express locality in systems composed of large numbers of processor and memory components connected by a network. Since distributions have a great effect on,the performance of applications, it is important that the distribution strategy can be chosen by a user. At the same time, high productivity concerns require that the user is shielded from error-prone, tedious details such as communication and synchronization. We propose an approach to distributions that enables the user to refine a language-provided distribution type and adjust it to optimize the performance of the application. Additionally, we conceal from the user low-level communication and synchronization details to increase productivity. To emphasize the generality of our distribution machinery, we present its abstract design in the form of a design pattern, which is independent of a concrete implementation. To illustrate the applicability of our distribution framework design, we outline the implementation of data distributions in terms of the Chapel language.

patterns↗
NASA NTRS2016

Simulation of Sweep-Jet Flow Control, Single Jet and Full Vertical Tail

This work is a simulation technology demonstrator, of sweep jets used to suppress boundary layer separation and increase maximum achievable load coefficients. A sweep jet is a discrete Coanda jet that oscillates in the plane parallel to an aerodynamic surface. It injects mass and momentum in the approximate stream wise direction. It also generate turbulent eddies at the oscillation frequency, which are typically large relative to boundary layer turbulence, and which augmenting mixing across the boundary layer to attack flow separation. Simulations of a fluidic oscillator, the sweep jet emerging from the oscillator, and the suppression of boundary layer separation by an array of sweep jets are performed. Simulation results are compared to data from a dedicated CFD validation experiment of a single oscillator and its sweep jet, and from a study of a full-scale Boeing 757 vertical tail augmented with an array of sweep jets.2, 20 A critical step in the work is the development of realistic time-dependent sweep-jet in flow boundary conditions, derived from the results of the single-oscillator simulations, which create the sweep jets in the full-tail simulations. Simulations were performed using the Over flow CFD solver, with high-order spatial discretization and a range of turbulence modeling. Good results were obtained for all flows simulated, when suitable turbulence modeling was used.

flow control↗
DOE OSTI2025

Effect of cell compression on the performance and the structure of proton exchange membrane water electrolyzer (PEMWE) assembly

Here, in the field of water electrolysis, the proton exchange membrane water electrolyzer (PEMWE) is currently the most advanced technology for producing hydrogen without emitting CO 2 . Although PEMWE plants are already in operation, further research is needed to improve cell efficiency and reduce the use of rare materials, such as iridium oxide catalysts for the oxygen evolution reaction (OER). One of the main causes of performance loss in PEMWE is the relatively low electric conductivity of the porous transport layer (PTL) and of the anode catalyst layer, which results in ohmic losses and low catalyst utilization during high current density operation. The objective of this study is to investigate how optimization of the PTL and electrode interface can increase the cell performance. To this end, we tested different cell assemblies using fibrous and sintered PTLs, decreasing membrane thickness, reducing iridium loading, and inserting a microporous layer to increase contact surface area. Electrochemical characterization of each cell configuration was systematically performed at various compression levels as the pressure is a crucial parameter influencing the electrode/PTL contact area. In parallel, X-ray microcomputed tomography (micro-CT) was employed to investigate the effects of cell hydration and compression on the structure of PEMWE components. This study combining electrochemistry and micro-CT imaging presents how optimizing the electrode/PTL contact surface area, minimizes ohmic losses, and enables PEMWE operation with low iridium loading at high current densities.

Catalyst - PTL interface↗
DOE OSTI2024

Optimization and Experimental Validation of Annular Finned PCM-HX for a Domestic Hot Water Heater Application

The load profile for domestic water heating is time-dependent and can result in high energy demand during peak operating times. Shifting this peak load can have significant environmental and economic impacts. Phase change material (PCM)-based thermal energy storage (TES) is a potentially useful technology for peak load shifting in domestic hot water (DHW) applications thanks to its high latent heat and energy density. In this study, an annular finned-tube PCM-HX design concept was optimized for a load-shifting TES unit to meet the Department of Energy standard for a medium-usage DHW heater using a resistance-capacitance model (RCM) integrated with a Multi-Objective Genetic Algorithm. The optimized design comprised 70 identical annular finned-tube PCM-HX units connected in parallel and utilizing RT62HC as the PCM. A single PCM-HX unit was prototyped and tested in a vertically oriented setup with upward heat transfer fluid (HTF) flow. The hot water supply time was defined based on a cutoff temperature of 51.7°C. The as-designed mass flow rate (1.5 g/s) was tested to assess the performance of the prototyped PCM-HX unit for RCM validation. For the experimental investigation, RTD sensor bundles measured HTF temperature at the PCM-HX inlet and outlet, and a Coriolis flow meter accurately measured the HTF mass flow rate. The simulated discharging power underpredicted the experimental result by about 12%, and the simulated hot water supply time underpredicted the experimental result by approximately 13% for the as-designed mass flow rate (1.5 g/s). The average deviation of the hot water supply temperature between the experimental and RCM results during the complete PCM solidification process was 1.3 K for the as-designed mass flow rate. The overall good agreement between the experimental and RCM results provides confidence that computationally efficient models such as RCM can be utilized for design optimization of PCM-HXs.

42 ENGINEERING↗
NASA NTRS2000

High Order Discontinuous Gelerkin Methods for Convection Dominated Problems with Application to Aeroacoustics

This project is about the investigation of the development of the discontinuous Galerkin finite element methods, for general geometry and triangulations, for solving convection dominated problems, with applications to aeroacoustics. On the analysis side, we have studied the efficient and stable discontinuous Galerkin framework for small second derivative terms, for example in Navier-Stokes equations, and also for related equations such as the Hamilton-Jacobi equations. This is a truly local discontinuous formulation where derivatives are considered as new variables. On the applied side, we have implemented and tested the efficiency of different approaches numerically. Related issues in high order ENO and WENO finite difference methods and spectral methods have also been investigated. Jointly with Hu, we have presented a discontinuous Galerkin finite element method for solving the nonlinear Hamilton-Jacobi equations. This method is based on the RungeKutta discontinuous Galerkin finite element method for solving conservation laws. The method has the flexibility of treating complicated geometry by using arbitrary triangulation, can achieve high order accuracy with a local, compact stencil, and are suited for efficient parallel implementation. One and two dimensional numerical examples are given to illustrate the capability of the method. Jointly with Hu, we have constructed third and fourth order WENO schemes on two dimensional unstructured meshes (triangles) in the finite volume formulation. The third order schemes are based on a combination of linear polynomials with nonlinear weights, and the fourth order schemes are based on combination of quadratic polynomials with nonlinear weights. We have addressed several difficult issues associated with high order WENO schemes on unstructured mesh, including the choice of linear and nonlinear weights, what to do with negative weights, etc. Numerical examples are shown to demonstrate the accuracies and robustness of the methods for shock calculations. Jointly with P. Montarnal, we have used a recently developed energy relaxation theory by Coquel and Perthame and high order weighted essentially non-oscillatory (WENO) schemes to simulate the Euler equations of real gas. The main idea is an energy decomposition under the form epsilon = epsilon(sub 1) + epsilon(sub 2), where epsilon(sub 1) is associated with a simpler pressure law (gamma)-law in this paper) and the nonlinear deviation epsilon(sub 2) is convected with the flow. A relaxation process is performed for each time step to ensure that the original pressure law is satisfied. The necessary characteristic decomposition for the high order WENO schemes is performed on the characteristic fields based on the epsilon(sub l) gamma-law. The algorithm only calls for the original pressure law once per grid point per time step, without the need to compute its derivatives or any Riemann solvers. Both one and two dimensional numerical examples are shown to illustrate the effectiveness of this approach.

Shu, Chi-Wang↗
NASA NTRS1999

Optical Flow-Field Techniques Used for Measurements in High-Speed Centrifugal Compressors

The overall performance of a centrifugal compressor depends on the performance of the impeller and diffuser as well as on the interactions occurring between these components. Accurate measurements of the flow fields in each component are needed to develop computational models that can be used in compressor design codes. These measurements must be made simultaneously over an area that covers both components so that researchers can understand the interactions occurring between the two components. Optical measurement techniques are being used at the NASA Lewis Research Center to measure the velocity fields present in both the impeller and diffuser of a 4:1 pressure ratio centrifugal compressor operating at several conditions ranging from design flow to surge. Laser Doppler Velocimetry (LDV) was used to measure the intrablade flows present in the impeller, and the results were compared with analyses obtained from two three-dimensional viscous codes. The development of a region of low throughflow velocity fluid within this high-speed impeller was examined and compared with a similar region first observed in a large low-speed centrifugal impeller at Lewis. Particle Image Velocimetry (PIV) is a relatively new technique that has been applied to measuring the diffuser flow fields. PIV can collect data rapidly in the diffuser while avoiding the light-reflection problems that are often encountered when LDV is used. The Particle Image Velocimeter employs a sheet of pulsed laser light that is introduced into the diffuser in a quasi-radial direction through an optical probe inserted near the diffuser discharge. The light sheet is positioned such that its centerline is parallel to the hub and shroud surfaces and such that it is parallel to the diffuser vane, thereby avoiding reflections from the solid surfaces. Seed particles small enough to follow the diffuser flow are introduced into the compressor at an upstream location. A high-speed charge-coupled discharge (CCD) camera is synchronized to the laser pulse rate; this allows it to capture images of seed particle position that are separated by a small increment in time. A crosscorrelation of a particle's position in two consecutive images provides an estimate of flow velocity and direction. Multiple image pairs obtained in rapid succession at a particular flow condition provide enough measurements for statistical significance. PIV provides simultaneous velocity measurements over the entire plane that is illuminated by the light sheet instead of at a single point, as is the case when LDV is used. PIV has a further advantage in that the laser light pulse can be triggered by an external source such as a high-response pressure transducer. This feature will allow PIV to synchronize flow imaging to physical phenomena such as rotating stall or stall precursor waves. We hope that this technique can be used to obtain images of the flow field during and just prior to stall.

Skoch, Gary J.↗
NASA NTRS2007

Integrating Human Factors into Crew Exploration Vehicle Design

With NASA's new Vision for Exploration to send humans beyond Earth orbit, it is critical to consider the human as a system that demands early and continuous user involvement, and an iterative prototype/test/redesign process. Addressing human-system interface issues early on can be very cost effective even cost reducing when performed early in the design and development cycle. To achieve this goal within Crew Exploration Vehicle (CEV) Project Office, human engineering (HE) team is formed. Key tasks are to apply HE requirements and guidelines to hardware/software, and provide HE design, analysis and evaluation of crew interfaces. Initial activities included many practice-orientated evaluations using low-fidelity CEV mock-ups. What follows is a description of such evaluations that focused on a HE requirement regarding Net Habitable Volume (NHV). NHV is defined as the total remaining pressurized volume available to on-orbit crew after accounting for the loss of volume due to deployed hardware and structural inefficiencies which decrease functional volume. The goal of the NHV evaluations was to develop requirements providing sufficient CEV NHV for crewmembers to live and perform tasks in support of mission goals. Efforts included development of a standard NHV calculation method using computer models and physical mockups, and crew/ stakeholder evaluations. Nine stakeholders and ten crewmembers participated in the unsuited evaluations. Six crewmembers also participated in a suited evaluation. The mock-up was outfitted with volumetric representation of sub-systems such as seats, and stowage bags. Thirteen scenarios were developed to represent mission/crew tasks and considered to be primary volume drivers (e.g., suit donning) for the CEV. Unsuited evaluations included a structured walkthrough of these tasks. Suited evaluations included timed donning of the existing launch and entry suit to simulate a contingency scenario followed by doffing/ stowing of the suits. All mockup evaluations were videotaped. Structured questionnaires were used to document user interface issues and volume impacts of layout configuration. Computer model and physical measures of the NHV agreed within 1 percent. This included measurement of the gross habitable volume, subtraction of intrusive volumes, and other non-habitable spaces. Calculation method developed was validated as a standard means of measuring NHV, and was recommended as a verification method for the NHV requirements. Evaluations confirmed that there was adequate volume for unsuited scenarios and suit donning/ doffing activity. Seats, suit design stowage and waste hygiene system noted to be critical volume drivers. The low-fidelity mock-up evaluations along with human modeling analysis generated discussions that will lead to high-level systems requirements and human-centered design decisions. This approach allowed HE requirements and operational concepts to evolve in parallel with engineering system concepts and design requirements. As the CEV design matures, these evaluations will continue and help with design decisions, and assessment, verification and validation of HE requirements.

Whitmore, Mihriban↗
NASA NTRS2007

Decision-Tree Formulation With Order-1 Lateral Execution

A compact symbolic formulation enables mapping of an arbitrarily complex decision tree of a certain type into a highly computationally efficient multidimensional software object. The type of decision trees to which this formulation applies is that known in the art as the Boolean class of balanced decision trees. Parallel lateral slices of an object created by means of this formulation can be executed in constant time considerably less time than would otherwise be required. Decision trees of various forms are incorporated into almost all large software systems. A decision tree is a way of hierarchically solving a problem, proceeding through a set of true/false responses to a conclusion. By definition, a decision tree has a tree-like structure, wherein each internal node denotes a test on an attribute, each branch from an internal node represents an outcome of a test, and leaf nodes represent classes or class distributions that, in turn represent possible conclusions. The drawback of decision trees is that execution of them can be computationally expensive (and, hence, time-consuming) because each non-leaf node must be examined to determine whether to progress deeper into a tree structure or to examine an alternative. The present formulation was conceived as an efficient means of representing a decision tree and executing it in as little time as possible. The formulation involves the use of a set of symbolic algorithms to transform a decision tree into a multi-dimensional object, the rank of which equals the number of lateral non-leaf nodes. The tree can then be executed in constant time by means of an order-one table lookup. The sequence of operations performed by the algorithms is summarized as follows: 1. Determination of whether the tree under consideration can be encoded by means of this formulation. 2. Extraction of decision variables. 3. Symbolic optimization of the decision tree to minimize its form. 4. Expansion and transformation of all nested conjunctive-disjunctive paths to a flattened conjunctive form composed only of equality checks when possible. If each reduced conjunctive form contains only equality checks and all of these forms use the same variables, then the decision tree can be reduced to an order-one operation through a table lookup. The speedup to order one is accomplished by distributing each decision variable over a surface of a multidimensional object by mapping the equality constant to an index

James, Mark↗
DOE OSTI2020

PLEXUS: A Pattern-Oriented Runtime System Architecture for Resilient Extreme-Scale High-Performance Computing Systems

For high-performance computing (HPC) system designers and users, meeting the myriad challenges of next-generation exascale supercomputing systems requires rethinking their approach to application and system software design. Among these challenges, providing resiliency and stability to the scientific applications in the presence of high fault rates requires new approaches to software architecture and design. As HPC systems become increasingly complex, they require intricate solutions for detection and mitigation for various modes of faults and errors that occur in these large-scale systems, as well as solutions for failure recovery. These resiliency solutions often interact with and affect other system properties, including application scalability, power and energy efficiency. Therefore, resilience solutions for HPC systems must be thoughtfully engineered and deployed.In previous work, we developed the concept of resilience design patterns, which consist of templated solutions based on well-established techniques for detection, mitigation and recovery. In this paper, we use these patterns as the foundation to propose new approaches to designing runtime systems for HPC systems. The instantiation of these patterns within a runtime system enables flexible and adaptable end-to-end resiliency solutions for HPC environments. The paper describes the architecture of the runtime system, named Plexus, and the strategies for dynamically composing and adapting pattern instances under runtime control. This runtime-based approach enables actively balancing the cost-benefit trade-off between performance overhead and protection coverage of the resilience solutions. Based on a prototype implementation of PLEXUS, we demonstrate the resiliency and performance gains achieved by the pattern-based runtime system for a parallel linear solver application.

Hukerikar, Saurabh↗
NASA NTRS2022

Parallel Grand-Canonical Monte Carlo (ParaGrandMC) User’s Manual Version 2.0

This manual describes the commands and command line options for the Parallel Grand Canonical Monte Carlo version 2.0 (ParaGrandMC.2.0) simulation code. This is a highly scalable parallel FORTRAN 2003 code for simulating the thermodynamic evolution of materials at the atomic level, and predicting their thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is specifically designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces. In addition to performing Monte Carlo (MC) simulations, the code can also perform Molecular Dynamics (MD) and Langevin Dynamics (LD) simulations, which can be combined and interchanged with MC for faster and more efficient system evolution. A detailed description of the MC part of the code is provided in the NASA ParaGrandMC report: NASA/CR–2016-219202; http://www.sti.nasa.gov.

High performance computing↗
DOE OSTI2024

Visualization at exascale: Making it all work with VTK-m

The VTK-m software library enables scientific visualization on exascale-class supercomputers. Exascale machines are particularly challenging for software development in part because they use GPU accelerators to provide the vast majority of their computational throughput. Algorithmic designs for GPUs and GPU-centric computing often deviate from those that worked well on previous generations of high-performance computers that relied on traditional CPUs. Fortunately, VTK-m provides scientific visualization algorithms for GPUs and other accelerators. VTK-m also provides a framework that simplifies the implementation of new algorithms and adds a porting layer to work across multiple processor types. This paper describes the main challenges encountered when making scientific visualization available at exascale. Here, we document the surprises and obstacles faced when moving from pre-exascale platforms to the final exascale designs and the performance on those systems including scaling studies on Frontier, an exascale machine with over 37,000 AMD GPUs. We also report on the integration of VTK-m with other exascale software technologies. Finally, we show how VTK-m helps scientific discovery for applications such as fusion and particle acceleration that leverage an exascale supercomputer.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

A Feasibility Study for Perioperative Ventricular Tachycardia Prognosis and Detection and Noise Detection Using a Neural Network and Predictive Linear Operators

To locate the accessory pathway(s) in preexicitation syndromes, epicardial and endocardial ventricular mapping is performed during anterograde ventricular activation via accessory pathway(s) from data originally received in signal form. As the number of channels increases, it is pertinent that more automated detection of coherent/incoherent signals is achieved as well as the prediction and prognosis of ventricular tachywardia (VT). Today's computers and computer program algorithms are not good in simple perceptual tasks such as recognizing a pattern or identifying a sound. This discrepancy, among other things, has been a major motivating factor in developing brain-based, massively parallel computing architectures. Neural net paradigms have proven to be effective at pattern recognition tasks. In signal processing, the picking of coherent/incoherent signals represents a pattern recognition task for computer systems. The picking of signals representing the onset ot VT also represents such a computer task. We attacked this problem by defining four signal attributes for each potential first maximal arrival peak and one signal attribute over the entire signal as input to a back propagation neural network. One attribute was the predicted amplitude value after the maximum amplitude over a data window. Then, by using a set of known (user selected) coherent/incoherent signals, and signals representing the onset of VT, we trained the back propagation network to recognize coherent/incoherent signals, and signals indicating the onset of VT. Since our output scheme involves a true or false decision, and since the output unit computes values between 0 and 1, we used a Fuzzy Arithmetic approach to classify data as coherent/incoherent signals. Furthermore, a Mean-Square Error Analysis was used to determine system stability. The neural net based picking coherent/incoherent signal system achieved high accuracy on picking coherent/incoherent signals on different patients. The system also achieved a high accuracy of picking signals which represent the onset of VT, that is, VT immediately followed these signals. A special binary representation of the input and output data allowed the neural network to train very rapidly as compared to another standard decimal or normalized representations of the data.

Moebes, T. A.↗