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All sources NASA NTRS DOE OSTI

DOE OSTI2017

Evaluation of CHO Benchmarks on the Arria 10 FPGA using Intel FPGA SDK for OpenCL

The OpenCL standard is an open programming model for accelerating algorithms on heterogeneous computing system. OpenCL extends the C-based programming language for developing portable codes on different platforms such as CPU, Graphics processing units (GPUs), Digital Signal Processors (DSPs) and Field Programmable Gate Arrays (FPGAs). The Intel FPGA SDK for OpenCL is a suite of tools that allows developers to abstract away the complex FPGA-based development flow for a high-level software development flow. Users can focus on the design of hardware-accelerated kernel functions in OpenCL and then direct the tools to generate the low-level FPGA implementations. The approach makes the FPGA-based development more accessible to software users as the needs for hybrid computing using CPUs and FPGAs are increasing. It can also significantly reduce the hardware development time as users can evaluate different ideas with high-level language without deep FPGA domain knowledge. Benchmarking of OpenCL-based framework is an effective way for analyzing the performance of system by studying the execution of the benchmark applications. CHO is a suite of benchmark applications that provides support for OpenCL [1]. The authors presented CHO as an OpenCL port of the CHStone benchmark. Using Altera OpenCL (AOCL) compiler to synthesize the benchmark applications, they listed the resource usage and performance of each kernel that can be successfully synthesized by the compiler. In this report, we evaluate the resource usage and performance of the CHO benchmark applications using the Intel FPGA SDK for OpenCL and Nallatech 385A FPGA board that features an Arria 10 FPGA device. The focus of the report is to have a better understanding of the resource usage and performance of the kernel implementations using Arria-10 FPGA devices compared to Stratix-5 FPGA devices. In addition, we also gain knowledge about the limitations of the current compiler when it fails to synthesize a benchmark application.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

SU-F-J-129: Verification of Geometric and Dosimetric Accuracy of Respiratory Management Systems Using Homemade Phantom

Purpose: Different placements of Infrared Cameras (IRC) in CT and treatment rooms can cause gating window level (GWL) variations leading to differences between GWL used for planning and treatments. Although, Varian Clinac DHX-OBI sytem and CT are equipped with the same kind of IRC, Truebeam STx (TB) has a different type of IRC known as banana type. In this study; geometric and dosimetric accuracy of respiratory management system (RPM) for different machines were investigated with a special homemade phantom. Methods: Special phantom was placed on the respiratory simulator machine and a CT data set was obtained at the end of the expirium phase (EOE). Conformal and IMRT plans were generated on the EOE CT image series for both DHX-OBI and TB LINACs while a VMAT plan was generated only for TB.The acquired respiratory graphs in the CT were directly sent to DHX-OBI system, and they were converted with software before sending to TB. EBT3 films were placed inside the phantom and were irradiated using RPM system with two machines for different plans. Planar dose distributions were compared with gamma analysis (GA) method (3mm, %3) to evaluate planned-measured dose differences. In addition, radio-opac marker was placed in the center of the phantom to evaluate the geometric accuracy of treatment field with gated flouroscopy (GF). Results: There were no shifts detected between planning and treeatment GWL for both DHX-OBI and TB. Difference on the GF image between digital graticule and radio-opac marker was <1mm for TB and 1mm for DHX-OBI. Although, GA agreement was 97% for conformal and IMRT techniques in TB, it was 96% for VMAT technique. While GA agreement was 98% for conformal technique in DHX-OBI, IMRT was 95%.ConclusionThis study showed that RPM can be used accurately in spite of different IRC placements or different types of ICR used.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Towards a high performance geometry library for particle-detector simulations

Thread-parallelization and single-instruction multiple data (SIMD) ”vectorisation” of software components in HEP computing has become a necessity to fully benefit from current and future computing hardware. In this context, the Geant-Vector/GPU simulation project aims to re-engineer current software for the simulation of the passage of particles through detectors in order to increase the overall event throughput. As one of the core modules in this area, the geometry library plays a central role and vectorising its algorithms will be one of the cornerstones towards achieving good CPU performance. Here, we report on the progress made in vectorising the shape primitives, as well as in applying new C++ template based optimizations of existing code available in the Geant4, ROOT or USolids geometry libraries. We will focus on a presentation of our software development approach that aims to provide optimized code for all use cases of the library (e.g., single particle and many-particle APIs) and to support different architectures (CPU and GPU) while keeping the code base small, manageable and maintainable. We report on a generic and templated C++ geometry library as a continuation of the AIDA USolids project. As a result, the experience gained with these developments will be beneficial to other parts of the simulation software, such as for the optimization of the physics library, and possibly to other parts of the experiment software stack, such as reconstruction and analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Enabling Interoperable SCADA Communications for PV Inverters through Embedded Controllers

The percentage integration of photovoltaic (PV) inverters in the field has increased significantly in the past 5 years. Regardless of the size of the PV plants and the inverters (residential vs. commercial), it is becoming crucial that these devices have the capability to communicate with peers (other smart devices) and with components that are at a hierarchy above the inverters (e.g., supervisory control and data acquisition (SCADA) systems, distributed controllers, and data managers). This project aims to develop a standard SCADA software code for inverters’ embedded controllers that will enable interoperability with other components in the system. To achieve this, the code will be developed using two different protocols: Distributed Network Protocol 3 and International Electrotechnical Commission 61850. The developed code is aimed to be deployed in simple embedded controllers. It will be tested in the National Renewable Energy Laboratory’s (NREL’s) Energy Systems Integration Facility. The tested code will then be made available through Triangle MicroWorks’s (TMW’s) software platform. The primary objectives of this project include training the NREL team with TMW’s embedded controller libraries, developing an interoperable communication code for embedded controllers, successfully testing and deploying the code, and demonstrating the newly developed code in a conference.

14 SOLAR ENERGY↗

DOE OSTI2025

MPACT Safeguards Modeling: FY25 Update

Sandia National Laboratories develops and maintains several open-source software packages to support material accountancy analyses. This includes the Material Accountancy Performance Indicator Toolkit (MAPIT), the Fissile Facility Flow Modeler (F3M) and the Separation and Safeguards Performance Model Library (SSPM-L). MAPIT is responsible for performing statistical safeguards analyses on bulk and itemized data from nuclear fuel cycle facilities and can operate on real or synthetic data. MAPIT is the only open-source software for such analyses. F3M is a library of modules, built in MATLAB Simulink, that contain pre made blocks to represent different generic fuel cycle processes. These blocks can be used together in a modular fashion to represent and simulate nuclear fuel cycle processes with the goal of improving facility-level accountancy during the design phase. F3M is also an open-source library. Finally, the SSPM-L library is a series of completed models built from F3M. The library includes facility models such as a generic PUREX facility and a fuel fabrication facility. The SSPM-L library is not open source, but is available to collaborators with a relevant use case. These tools include modeling and simulation pipelines to simulate nuclear fuel cycle facilities and the underlying software needed to simulate measurement uncertainty and perform statistical analyses. Together, these tools can perform end-to-end nuclear material accountancy analyses. This report documents the various improvements made to these tools in FY25. Specifically, we added new statistical test, new statistical modeling capabilities, new fuel cycle facility models, and launched a new open-source model component library.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

CMLM (Co-Optimized Machine-Learned Manifolds) [SWR-23-41]

Co-optimized Machine-Learned Manifolds (CMLM) is a data-driven approach for developing reduced-order manifold models for high-dimensional chemically reacting systems. It involves a specially designed neural network, the training of which simultaneously optimizes linear combinations of species that define the manifold, nonlinear mapping to outputs of interest such as reaction rates, and (optionally) subfilter closure for large eddy simulation. This software package provides an implementation of the CMLM approach in Python using the PyTorch machine learning library. A few example cases are included, showing how the tool can be applied to different types of data from 0D and 1D reacting simulations performed using Cantera. The neural networks can be saved in a format that is readable by the Pele suite of combustion solvers for use in reacting computational fluid dynamics simulations. This software repository contains several python scripts to perform various tasks associated with the Co-optimized Machine Learned Manifolds (CMLM) model, which is described in Perry, Henry de Frahan, and Yellapantula, CNF, 2022 (https://doi.org/10.1016/j.combustflame.2022.112286). This includes not only the code that defines the CMLM model, but also scripts to generate suitable training data, scripts to pre-process the data, scripts to train the CMLM model, and scripts to plot the output, as well as various other helper files. The scripts depend on several commonly used python libraries for data analysis and chemical reaction computations. The trained models that result from this tool are designed to work with the an interface being implemented in the Pele suite of reacting flow solvers (https://github.com/AMReX-Combustion).

Perry, Bruce↗

DOE OSTI2022

Autonomous Wireless Technology Detection in Seamless IoT Applications

The ever-increasing use of Internet of Things (IoT) devices results in the implementation of multiple wireless technologies that would not only cater their data rate requirements but also support various applications. To optimize the energy efficiency and security of the wireless transmission, it is imperative to identify the wireless technologies in various IoT implementations. Many of the existing approaches are based on measuring only the receiving signal strength indicator (RSSI). However, such approaches may not work well because of transmit power control and complex channel variations among different wireless technologies. In this article, we propose an autonomous wireless detection scheme that considers multiple distinguishable physical (PHY)-layer settings for real-time identification of wireless technologies for real-time applications. Specifically, the proposed scheme relies on the PHY-layer measurements of the targeted spectrum. Transmission settings, such as bandwidth, carrier frequency, and RSSI are estimated from the raw in-phase and quadrature-phase (I/Q) measurements. In addition, a symbol-level extraction scheme is implemented to extract unique features of modulation settings. These aforementioned features are applied to a machine learning process to identify the received wireless technologies. Compared with raw I/Q measurements, the extracted features are much simplified and, thus, the machine learning classifier can be designed with a simple structure for fast processing on IoT nodes. Finally, the proposed schemes are primarily evaluated theoretically, followed by implementing them on a USRP software-defined radio (SDR)-based hardware testbed. The evaluation results demonstrate high accuracy in the real-time detection of different wireless technologies for seamless IoT applications.

42 ENGINEERING↗

DOE OSTI2023

Update to the Microcontroller Benchmark for Radiation Testing

LANL developed a benchmark of software code for radiation testing of microprocessors several years ago, and it was published under an open-source license on GitHub. Publishing the software is necessary for other researchers to adopt and implement this benchmark for radiation testing of other microprocessors to standardize test practices so that test data can be compared across different microprocessors. The original codes have been used several times by other organizations to test a wide range of microcontrollers and microprocessors. After several years of research, LANL is ready to update the benchmark. Changes include: 1. Addition of new codes that allow common software codes to be tested, 2. Addition of new codes that instrument more microprocessor circuitry, 3. Addition of input patterns that allow for a more compressive understanding of how the memory layout affects the sensitivity to radiation-induced faults and better use of automated test pattern generation standards, and 4. Modification of current codes for faster and more resilient detection, reporting and correction of radiation-induced faults. These codes have been tested by LANL researchers over the last few years, which has been published in the open literature. As the code base for the new benchmarks are stable, it is time to release the update to the GitHub repository, where the original codes were released.

Quinn, Heather↗

DOE OSTI2018

Automated Model Updating Effect on the Linear and Nonlinear Dynamic Responses of Historical Masonry Structures

Finite element models supply the simulation of the problems to obtain the structural behaviors under different loading conditions. The updating processes based on changing the uncertain parameters such as material properties, boundary conditions, meshing size etc. are made to create actual finite element models in order to represent the real conditions of the problems. This procedure can be made using two methods, namely manual model updating and global/local automatic model updating. The global/local automatic model updating procedures are very popular owing to the applicability to all kind of engineering structures, minimizing the differences nearly to zero, availability of damage localization and structural health monitoring. In this paper a historical masonry armory building selected as an application and its finite element analyses, experimental measurements and automated model updating processes are carried out. The finite element model of the structures was developed with ANSYS software and first three natural frequencies are attained. The experimental dynamic characteristics such as natural frequencies, damping ratios and mode shapes are obtained using ambient vibration method. The differences between experimental and numerical frequencies are minimized up to the range of 0–1%, by using local updating procedure. The linear and nonlinear seismic analyses of the building are conducted on initial and updated models. At the end of the analyses, maximum displacements, principal stresses and strains are given with detail. In addition, crack distributions diagrams are attained to validate the stresses accumulation points. It can be seen that there is an increasing trend in the displacement, stress and strain values after finite element model updating both linear and nonlinear analysis. In addition, linear and nonlinear analysis results are compared with each other to evaluate the nonlinear analysis effect. It is concluded that the displacement and strain values are increased after nonlinear analysis. But, there is not any agreement in stress values.

42 ENGINEERING↗

DOE OSTI2025

Solute Redistribution During Aging in a Laser-Based Powder Bed Fusion-Produced Fe-18Ni-9Co-5Mo-Ti Maraging Steel

Solute distribution during the laser-based powder bed fusion of metals process is highly complex because of solidification. This study builds on a previous investigation of how solute heterogeneities across different scales influence phase distribution and aging physical phenomena in a Fe-18Ni-9Co-5Mo-Ti maraging steel (Santana et al. in Addit Manuf 104494, 2024). Previous work using energy-dispersive X-ray spectroscopy revealed heterogeneous Ni and Mo enrichment at intercellular regions. Using X-ray diffraction, 8 ± 3% retained austenite was quantified in as-built samples. Additionally, electron backscatter diffraction analysis exposed the location of retained austenite along cell boundaries. In this work, scanning transmission electron microscopy results revealed the presence of non-enriched retained austenite in the as-built condition. With increased aging temperature, Ni and Mo enrichment in austenite increased, especially at the austenite/martensite boundary. Solute diffusion was simulated in DICTRA Thermo-Calc® software to assess solute redistribution between the matrix and second phases and to comprehend whether elemental diffusion processes are interconnected. Three different scenarios were considered: (1) solute diffusion in the matrix; (2) diffusion with enriched austenite in the intercellular region; (3) diffusion with non-enriched austenite in the intercellular region. Results showed that Ni partitioning controls austenite growth and that boundary regions exhibit higher element enrichment than the core.

42 ENGINEERING↗

DOE OSTI2022

CoLoRe: fast cosmological realisations over large volumes with multiple tracers

We present CoLoRe, a public software package to efficiently generate synthetic realisations of multiple cosmological surveys.CoLoRe can simulate the growth of structure with different degrees of accuracy, with the current implementation supporting lognormal fields, first, and second order Lagrangian perturbation theory.CoLoRe simulates the density field on an all-sky light-cone up to a desired maximum redshift, and uses it to generate multiple 2D and 3D maps: galaxy positions and velocities, lensing (shear, magnification, convergence), integrated Sachs-Wolfe effect, line intensity mapping, and line of sight skewers for simulations of the Lyman-α forest. We test the accuracy of the simulated maps against analytical theoretical predictions, and showcase its performance with a multi-survey simulation including DESI galaxies and quasars, LSST galaxies and lensing, and SKA intensity mapping and radio galaxies. We expect CoLoRe to be particularly useful in studies aiming to characterise the impact of systematics in multi-experiment analyses, quantify the covariance between different datasets, and test cross-correlation pipelines for near-future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

AR reactor neutronics multi-code validation*

The affordable, robust, compact (ARC) reactor is a tokamak fusion reactor concept currently under development by Commonwealth Fusion Systems and Massachusetts Institute of Technology. There are three important neutronics considerations for the operation of the ARC reactor: (1) breeding of enough tritium in the blanket to sustain the D–T reaction in the plasma; (2) ensuring low fluence on the superconducting toroidal field coils; and (3) assessing neutron volumetric heating in structural components. Here, this work aims to perform a validation of the neutronics analysis approach by code-to-code comparison. State-of-the-art software stacks are employed for the neutronics analysis of the ARC reactor, and a computer-aided design (CAD) model is used directly for Monte Carlo (MC) neutron transport calculations. Three software stacks, Attila-MCNP, OpenMC-DAGMC, and Shift-DAGMC, are used to perform neutronic analyses of a 90° sector CAD model of the ARC reactor. In conclusion, results show that the flux tallies calculated by the three software stacks are very close. Also, the volumetric heating and tritium breeding values have less than 0.6% relative difference between codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Performance Testing and Assessment of Protection Scheme Using Real-Time Hardware-in-the-Loop and IEC 61850 Standard

The main challenge of the microgrid is to design a suitable protection scheme due to the complexity of the architecture of the microgrid. The importance of the proposed protection technique is threefold. First, it presents a co-simulation platform to integrate between a simulated model on power system computer aided design (PSCAD)/real time digital simulator computer aided design (RSCAD) software’s and physical devices schweitzer engineering laboratories (SEL) 421-7 relays to protect the microgrid that includes different resources connected based on inverter interface. Second, it presents a comprehensive hardware/software setup to test the protective relays in a closed loop system and shows how to configure the protective relay’s International Electrotechnical Commission 61850 communications. Third, IEEE 1588 standard is used to provide sub nanoseconds latency between the simulated model that emulated on real time digital simulator (RTDS) and the external devices. Also, the measurement signals are synchronized between RTDS and the external devices using giga-transceiver synchronization card (GTSYNC) interface card and SEL-2488 satellite-synchronized network clock. The results showed that the co-simulation infrastructure introduces a highly dependable design, analysis, and testing environment for cyber and physical data flow in the system. Besides that, the voltages at ac/dc sides and frequency at fault condition were maintained due to the energy storage device contributions at different modes of operation.

42 ENGINEERING↗

DOE OSTI2020

Effect of frequency and applied voltage of an atmospheric-pressure dielectric-barrier discharge on breakdown and hydroxyl-radical generation with a liquid electrode

This work examines the effect of the frequency and peak applied voltage on hydroxyl-radical generation in a dielectric-barrier plasma discharge between a metallic needle electrode and one electrode covered with dielectric. The authors examine a system that can expose up to 96 liquid samples in an automated fashion without human intervention beyond setting the initial software configuration. Then, hydroxylradical concentration, measured through coumarin fluorescence, was measured for 5 s plasma exposures generated under different highvoltage conditions with frequencies from 2 to 16 kHz and amplitudes from 4 to 9 kV. Their results show that an increase in frequency and/or applied voltage, within the range prescribed above and the limits of the high-voltage power supply, can yield up to a 150% increase in fluorescence with an equivalent hydroxyl-radical increase. Applications using typical previous methods, such as the Fenton Reaction, are limited in that they continuously generate hydroxyl radicals over millisecond and longer intervals. These results establish the electrical parameters that can now be applied to polymers, like proteins, which show three dimensional structures that are flexible and fluctuate on a microsecond and nanosecond time scale, with hydroxyl-radical generation on this time scale using this device. Additionally, plasma exposures may be optimized for a great variety of proteins, devices and techniques, where hydroxyl-radical generation is of utmost importance, reducing exposure time and potential subjection of samples to harmful side effects.

42 ENGINEERING↗

DOE OSTI2014

SU-E-T-87: Comparison Study of Dose Reconstruction From Cylindrical Diode Array Measurements, with TLD Measurements and Treatment Planning System Calculations in Anthropomorphic Head and Neck and Lung Phantoms

Purpose: To assess dose calculated by the 3DVH software (Sun Nuclear Systems, Melbourne, FL) against TLD measurements and treatment planning system calculations in anthropomorphic phantoms. Methods: The IROC Houston (RPC) head and neck (HN) and lung phantoms were scanned and plans were generated using Eclipse (Varian Medical Systems, Milpitas, CA) following IROC Houston procedures. For the H and N phantom, 6 MV VMAT and 9-field dynamic MLC (DMLC) plans were created. For the lung phantom 6 MV VMAT and 15 MV 9-field dynamic MLC (DMLC) plans were created. The plans were delivered to the phantoms and to an ArcCHECK (Sun Nuclear Systems, Melbourne, FL). The head and neck phantom contained 8 TLDs located at PTV1 (4), PTV2 (2), and OAR Cord (2). The lung phantom contained 4 TLDs, 2 in the PTV, 1 in the cord, and 1 in the heart. Daily outputs were recorded before each measurement for correction. 3DVH dose reconstruction software was used to project the calculated dose to patient anatomy. Results: For the HN phantom, the maximum difference between 3DVH and TLDs was -3.4% and between 3DVH and Eclipse was 1.2%. For the lung plan the maximum difference between 3DVH and TLDs was 4.3%, except for the spinal cord for which 3DVH overestimated the TLD dose by 12%. The maximum difference between 3DVH and Eclipse was 0.3%. 3DVH agreed well with Eclipse because the dose reconstruction algorithm uses the diode measurements to perturb the dose calculated by the treatment planning system; therefore, if there is a problem in the modeling or heterogeneity correction, it will be carried through to 3DVH. Conclusion: 3DVH agreed well with Eclipse and TLD measurements. Comparison of 3DVH with film measurements is ongoing. Work supported by PHS grant CA10953 and CA81647 (NCI, DHHS)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-D-213-03: Towards An Optimized 3D Scintillation Dosimetry Tool for Quality Assurance of Dynamic Radiotherapy Techniques

Purpose: The purpose of this work is to simulate a multi-focus plenoptic camera used as the measuring device in a real-time three-dimensional scintillation dosimeter. Simulating and optimizing this realistic optical system will bridge the technological gap between concept validation and a clinically viable tool that can provide highly efficient, accurate and precise measurements for dynamic radiotherapy techniques. Methods: The experimental prototype, previously developed for proof of concept purposes, uses an off-the-shelf multi-focus plenoptic camera. With an array of interleaved microlenses of different focal lengths, this camera records spatial and angular information of light emitted by a plastic scintillator volume. The three distinct microlens focal lengths were determined experimentally for use as baseline parameters by measuring image-to-object magnification for different distances in object space. A simulated plenoptic system was implemented using the non-sequential ray tracing software Zemax: this tool allows complete simulation of multiple optical paths by modeling interactions at interfaces such as scatter, diffraction, reflection and refraction. The active sensor was modeled based on the camera manufacturer specifications by a 2048×2048, 5 µm-pixel pitch sensor. Planar light sources, simulating the plastic scintillator volume, were employed for ray tracing simulations. Results: The microlens focal lengths were determined to be 384, 327 and 290 µm. A realistic multi-focus plenoptic system, with independently defined and optimizable specifications, was fully simulated. A f/2.9 and 54 mm-focal length Double Gauss objective was modeled as the system’s main lens. A three-focal length hexagonal microlens array of 250-µm thickness was designed, acting as an image-relay system between the main lens and sensor. Conclusion: Simulation of a fully modeled multi-focus plenoptic camera enables the decoupled optimization of the main lens and microlens specifications. This work leads the way to improving the 3D dosimeter’s achievable resolution, efficiency and build for providing a quality assurance tool fully meeting clinical needs. M.R. is financially supported by a Master’s Canada Graduate Scholarship from the NSERC. This research is also supported by the NSERC Industrial Research Chair in Optical Design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

pnnl-predictive-phenomics/concerto

This software was developed to solve the problem of curating and validating individual metabolic models and combining them into different consortia.

Pino, James↗

DOE OSTI2016

2016 KIVA-hpFE Development: A Robust and Accurate Engine Modeling Software

Los Alamos National Laboratory and its collaborators are facilitating engine modeling by improving accuracy and robustness of the modeling, and improving the robustness of software. We also continue to improve the physical modeling methods. We are developing and implementing new mathematical algorithms, those that represent the physics within an engine. We provide software that others may use directly or that they may alter with various models e.g., sophisticated chemical kinetics, different turbulent closure methods or other fuel injection and spray systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗