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DOE OSTI2021

Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part II)

This paper reports on experiences gained and practices adopted when using the latest features of OpenMP to port a variety of HPC applications and mini-apps based on different computational motifs (BerkeleyGW, WDMApp/XGC, GAMESS, GESTS, and GridMini) to accelerator-based, leadership-class, high-performance supercomputer systems at the Department of Energy. As recent enhancements to OpenMP become available in implementations, there is a need to share the results of experimentation with them in order to better understand their behavior in practice, to identify pitfalls, and to learn how they can be effectively deployed in scientific codes. Additionally, we identify best practices from these experiences that we can share with the rest of the OpenMP community.

Chapman, Barbara↗

DOE OSTI2021

Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part I)

Chapman, Barbara↗

DOE OSTI2026

Post-Event Fault Identification with Machine Learning for Protection System Validation

Power system protection devices have transitioned over the past few decades from mechanical to analog devices, then to solid state and finally digital. Relays and their associated critical network of equipment have significantly increased in complexity. Even internally, relays have gained significant intricacy, with relatively simple overcurrent or differential functions now being assisted by a myriad of other functions. This is necessary as the grid becomes more complex, but it brings increased difficulty in monitoring and upkeep. Misoperation caused by accidental improper relay settings or deliberate malicious actions is a constant challenge faced by all utilities. These improper settings can be difficult to identify and may require exhaustive post-mortem analysis, typically after a major outage event has already occurred. A mechanism is needed for monitoring the behavior of protection systems to validate that their performance falls within expectations. Relays that fail to isolate a fault or trip when there is no system disturbance can be flagged for settings review in situations where this behavior may not have been noticed due to manual restoration or backup protection operations. This work presents a concept for a machine learning (ML) system capable of validating the performance of protection systems by identifying fault events and characterizing protection system responses based solely on available current and voltage measurements. As a first step in its development, an experimental dataset is generated, and a random forest model is implemented with high accuracy in distinguishing four power system scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Protection System Validation Using Post-Event Anomaly Classification with Machine Learning

Power system protection devices have transitioned over the past few decades from mechanical to analog devices, then to solid state and finally digital. Relays and their associated critical network of equipment have significantly increased in complexity. Even internally, relays have gained significant intricacy, with relatively simple overcurrent or differential functions now being assisted by a myriad of other functions. This is necessary as the grid becomes more complex, but it brings increased difficulty in monitoring and upkeep. Misoperation caused by improper relay settings or malicious actions is a constant challenge faced by all utilities. These improper settings can be difficult to identify and may require exhaustive post-mortem analysis, typically after a major outage event has already occurred. A mechanism is needed for monitoring the behavior of protection systems to validate that they act and perform as expected. This work presents a concept for a machine learning (ML) system capable of validating the performance of protection systems by classifying anomalous events and characterizing protection system responses based solely on available current and voltage measurements. As a first step in its development, an experimental dataset is generated, and a random forest model is implemented with high accuracy in distinguishing four power system scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Protection System Validation with Machine Learning Anomaly Classification

A poster for the Early Career Poster Session. Power system protection devices have transitioned over the past few decades from mechanical to analog devices, then to solid state and finally digital. Relays and their associated critical network of equipment have significantly increased in complexity. Even internally, relays have gained significant intricacy, with relatively simple overcurrent or differential functions now being assisted by a myriad of other functions. This is necessary as the grid becomes more complex, but it brings increased difficulty in monitoring and upkeep. Misoperation caused by improper relay settings or malicious actions is a constant challenge faced by all utilities. These improper settings can be difficult to identify and may require exhaustive post-mortem analysis, typically after a major outage event has already occurred. A mechanism is needed for monitoring the behavior of protection systems to validate that they act and perform as expected. This work presents a concept for a machine learning (ML) system capable of validating the performance of protection systems by classifying anomalous events and characterizing protection system responses based solely on available current and voltage measurements. As a first step in its development, an experimental dataset is generated, and a random forest model is implemented with high accuracy in distinguishing four power system scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2016

Using Tabulated Experimental Data to Drive an Orthotropic Elasto-Plastic Three-Dimensional Model for Impact Analysis

An orthotropic elasto-plastic-damage three-dimensional model with tabulated input has been developed to analyze the impact response of composite materials. The theory has been implemented as MAT 213 into a tailored version of LS-DYNA being developed under a joint effort of the FAA and NASA and has the following features: (a) the theory addresses any composite architecture that can be experimentally characterized as an orthotropic material and includes rate and temperature sensitivities, (b) the formulation is applicable for solid as well as shell element implementations and utilizes input data in a tabulated form directly from processed experimental data, (c) deformation and damage mechanics are both accounted for within the material model, (d) failure criteria are established that are functions of strain and damage parameters, and mesh size dependence is included, and (e) the theory can be efficiently implemented into a commercial code for both sequential and parallel executions. The salient features of the theory as implemented in LS-DYNA are illustrated using a widely used composite - the T800S/3900-2B[P2352W-19] BMS8-276 Rev-H-Unitape fiber/resin unidirectional composite. First, the experimental tests to characterize the deformation, damage and failure parameters in the material behavior are discussed. Second, the MAT213 input model and implementation details are presented with particular attention given to procedures that have been incorporated to ensure that the yield surfaces in the rate and temperature dependent plasticity model are convex. Finally, the paper concludes with a validation test designed to test the stability, accuracy and efficiency of the implemented model.

Polymer Matrix Composites↗

NASA NTRS1987

Software-implemented fault insertion: An FTMP example

This report presents a model for fault insertion through software; describes its implementation on a fault-tolerant computer, FTMP; presents a summary of fault detection, identification, and reconfiguration data collected with software-implemented fault insertion; and compares the results to hardware fault insertion data. Experimental results show detection time to be a function of time of insertion and system workload. For the fault detection time, there is no correlation between software-inserted faults and hardware-inserted faults; this is because hardware-inserted faults must manifest as errors before detection, whereas software-inserted faults immediately exercise the error detection mechanisms. In summary, the software-implemented fault insertion is able to be used as an evaluation technique for the fault-handling capabilities of a system in fault detection, identification and recovery. Although the software-inserted faults do not map directly to hardware-inserted faults, experiments show software-implemented fault insertion is capable of emulating hardware fault insertion, with greater ease and automation.

Czeck, Edward W.↗

NASA NTRS2003

Experimental Study of Arcing on High-Voltage Solar Arrays

The main obstacle to the implementation of a high-voltage solar array in space is arcing on the conductor-dielectric junctions exposed to the surrounding plasma. One obvious solution to this problem would be the installation of fully encapsulated solar arrays which were not having exposed conductors at all. However, there are many technological difficulties that must be overcome before the employment of fully encapsulated arrays will turn into reality. An alternative solution to raise arc threshold by modifications of conventionally designed solar arrays looks more appealing, at least in the nearest future. A comprehensive study of arc inception mechanism suggests that such modifications can be done in the following directions: 1) To insulate conductor-dielectric junction from a plasma environment (wrapthrough interconnects); 2) To change a coverglass geometry (overhang); 3) To increase a coverglass thickness; 4) To outgas areas of conductor-dielectric junctions. The operation of high-voltage array in LEO produces also the parasitic current power drain on the electrical system. Moreover, the current collected from space plasma by solar arrays determines the spacecraft floating potential that is very important for the design of spacecraft and its scientific apparatus. In order to verify the validity of suggested modifications and to measure current collection five different solar array samples have been tested in a large vacuum chamber. Each sample (36 silicon based cells) consists of three strings containing 12 cells connected in series. Thus, arc rate and current collection can be measured on every string independently, or on a whole sample when strings are connected in parallel. The heater installed in the chamber provides the possibility to test samples under temperature as high as 80 C that stimulates the LEO operational temperature. The experimental setup is described below.

Vayner, Boris↗

NASA NTRS2005

Experimental Study of Arcing on High-voltage Solar Arrays

The main obstacle to the implementation of a high-voltage solar array in space is arcing on the conductor-dielectric junctions exposed to the surrounding plasma. One obvious solution to this problem would be the installation of fully encapsulated solar arrays which were not having exposed conductors at all. However, there are many technological difficulties that must be overcome before the employment of fully encapsulated arrays will turn into reality. An alternative solution to raise arc threshold by modifications of conventionally designed solar arrays looks more appealing, at least in the nearest future. A comprehensive study of arc inception mechanism [1-4] suggests that such modifications can be done in the following directions: i) to insulate conductor-dielectric junction from a plasma environment (wrapthrough interconnects); ii) to change a coverglass geometry (overhang); iii) to increase a coverglass thickness; iiii) to outgas areas of conductor-dielectric junctions. The operation of high-voltage array in LEO produces also the parasitic current power drain on the electrical system. Moreover, the current collected from space plasma by solar arrays determines the spacecraft floating potential that is very important for the design of spacecraft and its scientific apparatus. In order to verify the validity of suggested modifications and to measure current collection five different solar array samples have been tested in large vacuum chamber. Each sample (36 silicon based cells) consists of three strings containing 12 cells connected in series. Thus, arc rate and current collection can be measured on every string independently, or on a whole sample when strings are connected in parallel. The heater installed in the chamber provides the possibility to test samples under temperature as high as 80 C that simulates the LEO operational temperature. The experimental setup is described below.

Vayner, Boris↗

DOE OSTI2022

Sivers extraction with Neural Network

Pseudo-data with simulated experimental errors can be generated to train an ensemble of Artificial Neural Networks (ANN) implemented on a regression to extract Transverse Momentum-dependent Distributions (TMDs). A preliminary analysis is presented on the reliability in extraction of the Sivers function imposed in the pseudo-data given the bounds on the experimental errors, data sparsity, and complexity of phase-space.

Fernando, Ishara↗

DOE OSTI2019

Experimental Determination of PV Inverter Response to Grid Phase Shift Events: Preprint

With the continued growth of renewable energy resources which interface to the electric grid via inverters, the understanding of such devices becomes ever more important to the safe and reliable operation of the bulk power system. This work investigates the specific response of a utility-scale PV inverter to grid voltage phase shift-type disturbances which sometimes occur during grid fault events. The role of the PV inverter's phase-locked-loop (PLL) is identified as important to modeling the response. Switching-level simulations of a utility-scale PV inverter with a modeled PLL show a characteristic response when phase shift disturbances require the PLL to track what appear as fast frequency changes. Additionally, in this work a full-scale laboratory testing was carried out using the Opal real time (RT) OP5142 real time simulator and a large grid simulator to create phase shift disturbances with a high degree of repeatability. A photovoltaic (PV) inverter was connected to a grid simulator, and phase shifts were instantaneously implemented on the simulated grid, the results of the currents were then obtained. The experimental results obtained were validated with simulation results obtained from MATLAB/Simulink.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2003

Quadrature Moments Method for the Simulation of Turbulent Reactive Flows

A sub-filter model for reactive flows, namely the DQMOM model, was formulated for Large Eddy Simulation (LES) using the filtered mass density function. Transport equations required to determine the location and size of the delta-peaks were then formulated for a 2-peak decomposition of the FDF. The DQMOM scheme was implemented in an existing structured-grid LES solver. Simulations of scalar shear layer using an experimental configuration showed that the first and second moments of both reactive and inert scalars are in good agreement with a conventional Lagrangian scheme that evolves the same FDF. Comparisons with LES simulations performed using laminar chemistry assumption for the reactive scalar show that the new method provides vast improvements at minimal computational cost. Currently, the DQMOM model is being implemented for use with the progress variable/mixture fraction model of Pierce. Comparisons with experimental results and LES simulations using a single-environment for the progress-variable are planned. Future studies will aim at understanding the effect of increase in environments on predictions.

Raman, Venkatramanan↗

NASA NTRS2001

Droplet Combustion in a Slow Convective Flow

The objective of the present flight experiment definition study is to investigate the effects of slow forced convective flows on the dynamics of isolated single droplet combustion and is designed to complement the quiescent, microgravity droplet combustion experiments (DCE-1 and DCE-2) of Williams and Dryer. The fuels selected for this study are the same as those of DCE, namely, a sooting alkane fuel (heptane) and a non-sooting alcohol (methanol), and imposed flow rates are chosen between 0 and 20 cm/s with varying ambient oxygen concentrations and pressures. Within this velocity range, both accelerating and decelerating flow effects will also be investigated. Two different approaches to generate the forced flow are currently under development in ground-based facilities; the first is a flow tunnel concept where the forced flow is imposed against a stationary droplet, and in the second a tethered droplet is translated at a specified velocity in a quiescent ambient medium. Depending upon the engineering feasibility a selection will be made between these two approaches so that the experiment can be accommodated in the Multiple Droplet Combustion Apparatus (MDCA) currently being designed for the International Space Station. Recently, we have finished designing and fabricating the experimental rigs using both the above mentioned concepts. The flow tunnel concept is implemented in a 2.2 second drop tower rig. Preliminary experiments have been carried out using heptane and methanol in air at atmospheric pressure. The translating droplet apparatus is scheduled to be tested in the 5 second drop facility in the near future. This report presents some of the experimental results obtained for heptane.

Nayagam, V.↗

NASA NTRS1992

Digital implementation of vibration suppression controllers for LSS

A synthesis procedure for positivity controllers is described, and both simulation and experimental results for vibration suppression control experiments at the NASA Marshall ACES and the NASA Langley MiniMAST ground test facilities are presented. Positivity-designed controllers provide general stability robustness to modeling errors, coupled with controller phase compensation which provides stability margins required for actual implementation. A multivariable scaling method of positivity-designed controllers is used for the on-line tuning of nominal digital controllers. A phase compensation method uses model information to predict system measurements and controller states for compensating the nominal controllers for unmodeled time delays in the system.

Bosse, A.↗

DOE OSTI2021

Chemometrics and Experimental Design for the Quantification of Nitrate Salts in Nitric Acid: Near-Infrared Spectroscopy Absorption Analysis

Implementing remote, real-time spectroscopic monitoring of radiochemical processing streams in hot cell environments requires efficiency and simplicity. The success of optical spectroscopy for the quantification of species in chemical systems highly depends on representative training sets and suitable validation sets. Selecting a training set (i.e., calibration standards) to build multivariate regression models is both time- and resource-consuming using standard one-factor-at-a-time approaches. This study describes the use of experimental design to generate spectral training sets and a validation set for the quantification of sodium nitrate (0–1 M) and nitric acid (0.1–10 M) using the near-infrared water band centered at 1440 nm. Partial least squares regression models were built from training sets generated by both D- and I-optimal experimental designs and a one-factor-at-a-time approach. The prediction performance of each model was evaluated by comparing the bias and standard error of prediction for statistical significance. D- and I-optimal designs reduced the number of samples required to build regression models compared with one-factor-at-a-time while also improving performance. Models must be confirmed against a validation sample set when minimizing the number of samples in the training set. The D-optimal design performed the best when considering both performance and efficiency by improving predictive capability and reducing number of samples in the training set by 64% compared with the one-factor-at-a-time approach. The experimental design approach objectively selects calibration and validation spectral data sets based on statistical criterion to optimize performance and minimize resources.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2020

Improving the performance of medical imaging applications using SYCL

As opposed to the Open Computing Language (OpenCL) programming model, in which host and device codes are generally written in different programming languages, SYCL can combine host and device codes for an application in a type-safe way to improve development productivity and performance portability. Hence, this report shows the experimental results of applying the SYCL programming model to medical imaging applications for a study on performance portability and programming productivity between OpenCL and SYCL. Rodinia is a widely used open-source benchmark suite for heterogeneous computing. We choose two medical imaging applications (Heart Wall and Particle Filter) in the benchmark suite, migrate the OpenCL implementations of the applications to the SYCL implementations, and evaluate their performance and productivity on Intel® microprocessors that contain a central processing unit (CPU) and an integrated graphics processing unit (GPU). The maturing SYCL compilers, which are based on a conformant implementation of the SYCL 1.2.1 Khronos specification, have been actively optimized for Intel® computing platforms. The experimental results are promising in terms of the raw performance and productivity. Although the SYCL implementation of the Heart Wall application does not execute successfully on a CPU, the SYCL implementations of the application can achieve comparable or better performance than the OpenCL implementation on Intel® integrated GPUs. For the Particle Filter application, the performance difference between the SYCL and OpenCL implementations is comparable on the GPUs for most cases, but the SYCL implementations are on average 4X faster than the OpenCL implementations on Intel® Xeon® CPUs. For programming productivity, we arguably use lines of code as a way to measure programming productivity in software. The SYCL programs reduce the lines of code of the OpenCL programs by 52% and 38% for the Heart Wall and Particle Filter, respectively. The results indicate that SYCL is a promising programming model for heterogeneous computing with the maturing compilers. We organize the remainder of the report as follows. Section II introduces the SYCL programming model, compares the major differences between an OpenCL program and a SYCL program, and describes the characteristics of the two applications. Section III describes the SYCL programming model in more details, and shows the SYCL implementation of a kernel function in the Particle Filter application as an example. In Section IV, we evaluate the performance of the applications on the CPUs and GPUs. Section V concludes the report.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Measurements of fission gas release from nuclear fuel in support of BISON fuel performance analysis

This project established a fuel irradiation and fission gas release (FGR) loop that has been designed for implementation at the PULSTAR reactor of North Carolina State University (NCSU). The FGR loop is capable of analyzing various types of fuel samples including, e.g., uranium dioxide fuel (UO 2 ) and uranium silicide (U 3 Si 2 ) samples. The fuel samples were produced and characterized at Idaho National Laboratory (INL) and shipped NCSU. The samples are ready for irradiation in the FGR loop to a given total thermal neutron fluence and under controlled temperature conditions. An innovative high resolution gamma-ray spectrometry approach and instrumentation have been established to monitor the loop’s sweep gas and perform high accuracy measurements of the gas release rates relative to predicted birth rates to establish the release-to-birth ratio (R/B) for a given radionuclide. In addition, uncertainty minimization is achieved through the formulation of the measurement observables into relative release-to-birth indicators for selected radionuclides. The experimental findings will be utilized to enhance and validate the fission gas release models that are currently implemented in the BISON fuel performance code. The experimentally deduced physical parameters will be incorporated in BISON’s fission gas release models. Atomistic simulations of fuel behavior have been performed to investigate the mechanisms of fission gas migration in the fuel. At this stage, performance of the fuel irradiation experiments awaits licensing approval by the US NRC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Ultrafast Laser Material Damage Simulation—A New Look at an Old Problem

The chirped pulse amplification technique has enabled the generation of pulses of a few femtosecond duration with peak powers multi-Tera and Peta–Watt in the near infrared. Its implementation to realize even shorter pulse duration, higher energy, and higher repetition rate laser systems relies on overcoming the limitations imposed by laser damage of critical components. In particular, the laser damage of coatings in the amplifiers and in post-compression optics have become a bottleneck. The robustness of optical coatings is typically evaluated numerically through steady-state simulations of electric field enhancement in multilayer stacks. However, this approach cannot capture crucial characteristics of femtosecond laser induced damage (LID), as it only considers the geometry of the multilayer stack and the optical properties of the materials composing the stack. This approach neglects that in the interaction of an ultrashort pulse and the materials there is plasma generation and associated material modifications. Here, we present a numerical approach to estimate the LID threshold of dielectric multilayer coatings based on strong field electronic dynamics. In this dynamic scheme, the electric field propagation, photoionization, impact ionization, and electron heating are incorporated through a finite-difference time-domain algorithm. We applied our method to simulate the LID threshold of bulk fused silica, and of multilayer dielectric mirrors and gratings. The results are then compared with experimental measurements. The salient aspects of our model, such as the implementation of the Keldysh photoionization model, the impact ionization model, the electron collision model for ‘low’-temperature, dense plasma, and the LID threshold criterion for few-cycle pulses are discussed.

36 MATERIALS SCIENCE↗