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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Deep Learning-based Surrogate Model for Efficient Reservoir Simulation in Large-scale Geological Carbon Storage: Application in IBDP Dataset

This project introduces an advanced deep learning (DL)-based surrogate modeling approach to enhance the efficiency and accuracy of large-scale geological carbon storage (GCS) simulations. Using the Illinois Basin Decatur Project (IBDP) dataset as training data, the study employs a residual U-Net architecture to predict critical state variables such as pressure and CO₂ saturation, as well as CO₂ plume migration. By incorporating key geological parameters (e.g., porosity, permeability, and rock facies) and physics-informed inputs like the diffusive time of flight and time step, the DL model effectively reduces computational complexity while maintaining robust physical constraints. Compared to traditional simulators like Eclipse, the DL model achieves remarkable accuracy, with a root mean square error (RMSE) of 1.57 psi for pressure and 0.007 for saturation, and dramatically reduces computational time from hours to just 69.9 seconds for 50-step simulations. These results demonstrate the potential of innovative DL methodologies to improve the predictivity and operational efficiency of GCS simulations, providing a reliable foundation for decision-making in CCS operations. Supported by the SMART initiative, this project underscores the success of leveraging computational innovations to advance CCS technologies.

advanced deep learning↗
DOE OSTI2019

Advances in imaging instrumentation for nuclear cardiology

Advances in imaging instrumentation and technology have greatly contributed to nuclear cardiology. Dedicated cardiac SPECT cameras incorporating novel, highly efficient detector, collimator, and system designs have emerged with the expansion of nuclear cardiology. Solid-state radiation detectors incorporating cadmium zinc telluride, which directly convert radiation to electrical signals and yield improved energy resolution and spatial resolution and enhanced count sensitivity geometries, are increasingly gaining favor as the detector of choice for application in dedicated cardiac SPECT systems. Additionally, hybrid imaging systems in which SPECT and PET are combined with X-ray CT are currently widely used, with PET/MRI hybrid systems having also been recently introduced. The improved quantitative SPECT/CT has the potential to measure the absolute quantification of myocardial blood flow and flow reserve. Rapid development of silicon photomultipliers leads to enhancement in PET image quality and count rates. In addition, the reduction of emission–transmission mismatch artifacts via application of accurate time-of-flight information, and cardiac motion de-blurring aided by anatomical images, are emerging techniques for further improvement of cardiac PET. This article reviews recent advances such as these in nuclear cardiology imaging instrumentation and technology, and the corresponding diagnostic benefits.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Exploring OpenSNAPI Use Cases and Evolving Requirements [Slides]

Emerging system architectures are rapidly transforming in order to meet shifting requirements. Motivated by expanding data volumes, energy efficiency concerns, and the omnipresent need to improve performance, architectures are increasingly adopting a data-centric approach. At the core of this concept is the goal of minimizing data motion and instead processing data in-situ to the greatest degree possible. Therefore, data-centric designs, in contrast to conventional CPU-centric models, typically distribute compute capabilities throughout the architecture. As part of this paradigm shift, a novel class of devices known as data processing units (DPUs), alongside CPUs and GPUs, are quickly forming a third pillar of data-centric systems. These devices, which include smart network adapters and switches, seek to offload computation on data at the network edge as well as in-flight within the network fabric. The Open Smart Network API (OpenSNAPI) project seeks to develop a unified API for DPU devices. In our previous talks, we introduced the OpenSNAPI project and detailed our investigations regarding the viability of offloading compute intensive kernels to BlueField DPUs. In contrast, in this talk we detail our efforts to offload application-level file I/O to the DPU. We also discuss plans and early efforts to explore in-network compute capabilities. Finally, we describe our observations with respect to the evolving design of OpenSNAPI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Nonintrusive performance measurement of a gas turbine engine in real time

Performance of a gas turbine engine is monitored by computing a mass flow rate through the engine. Acoustic time-of-flight measurements are taken between acoustic transmitters and receivers in the flow path of the engine. The measurements are processed to determine average speeds of sound and gas flow velocities along those lines-of-sound. A volumetric flow rate in the flow path is computed using the gas flow velocities together with a representation of the flow path geometry. A gas density in the flow path is computed using the speeds of sound and a measured static pressure. The mass flow rate is calculated from the gas density and the volumetric flow rate.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Model reduction for hypersonic aerodynamics via conservative LSPG projection and hyper-reduction

High-speed aerospace engineering applications rely heavily on computational fluid dynamics (CFD) models for design and analysis due to the expense and difficulty of flight tests and experiments. This reliance on CFD models necessitates performing accurate and reliable uncertainty quantification (UQ) of the CFD models. However, it is very computationally expensive to run CFD for hypersonic flows due to the fine grid resolution required to capture the strong shocks and large gradients that are typically present. Furthermore, UQ approaches are “many-query” problems requiring many runs with a wide range of input parameters. One way to enable computationally expensive models to be used in such many-query problems is to employ projection-based reduced-order models (ROMs) in lieu of the (high-fidelity) full-order model. In particular, the least-squares Petrov–Galerkin (LSPG) ROM (equipped with hyper-reduction) has demonstrated the ability to significantly reduce simulation costs while retaining high levels of accuracy on a range of problems including subsonic CFD applications. This allows computationally inexpensive LSPG ROM simulations to replace the full-order model simulations in UQ studies, which makes this many-query task tractable, even for large-scale CFD models. This work presents the first application of LSPG to a hypersonic CFD application. In particular, we present results for LSPG ROMs of the HIFiRE-1 in a three-dimensional, turbulent Mach 7.1 flow, showcasing the ability of the ROM to significantly reduce computational costs while maintaining high levels of accuracy in computed quantities of interest.

Fluid Dynamics↗
DOE OSTI2016

MO-DE-207B-07: Assessment of Reproducibility Of FDG-PET-Based Radiomics Features Across Scanners Using Phantom Imaging

Purpose: Use a NEMA-IEC PET phantom to assess the robustness of FDG-PET-based radiomics features to changes in reconstruction parameters across different scanners. Methods: We scanned a NEMA-IEC PET phantom on 3 different scanners (GE Discovery VCT, GE Discovery 710, and Siemens mCT) using a FDG source-to-background ratio of 10:1. Images were retrospectively reconstructed using different iterations (2–3), subsets (21–24), Gaussian filter widths (2, 4, 6mm), and matrix sizes (128,192,256). The 710 and mCT used time-of-flight and point-spread-functions in reconstruction. The axial-image through the center of the 6 active spheres was used for analysis. A region-of-interest containing all spheres was able to simulate a heterogeneous lesion due to partial volume effects. Maximum voxel deviations from all retrospectively reconstructed images (18 per scanner) was compared to our standard clinical protocol. PET Images from 195 non-small cell lung cancer patients were used to compare feature variation. The ratio of a feature’s standard deviation from the patient cohort versus the phantom images was calculated to assess for feature robustness. Results: Across all images, the percentage of voxels differing by <1SUV and <2SUV ranged from 61–92% and 88–99%, respectively. Voxel-voxel similarity decreased when using higher resolution image matrices (192/256 versus 128) and was comparable across scanners. Taking the ratio of patient and phantom feature standard deviation was able to identify features that were not robust to changes in reconstruction parameters (e.g. co-occurrence correlation). Metrics found to be reasonably robust (standard deviation ratios > 3) were observed for routinely used SUV metrics (e.g. SUVmean and SUVmax) as well as some radiomics features (e.g. co-occurrence contrast, co-occurrence energy, standard deviation, and uniformity). Similar standard deviation ratios were observed across scanners. Conclusions: Our method enabled a comparison of feature variability across scanners and was able to identify features that were not robust to changes in reconstruction parameters.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Diffusion-weighted imaging as a part of PET/MR for small lesion detection in patients with primary abdominal and pelvic cancer, with or without TOF reconstruction technique

Objectives: To investigate the value of diffusion-weighted imaging (DWI) in detection of small lesions (≤ 10 mm) in patients with primary abdominal and pelvic cancer in hybrid PET/MR with or without time-of-flight (TOF) technique. Materials and methods: Twenty patients (11 females and 9 males, mean age 67.23 ± 12.90 years) with histologically confirmed primary abdominal and pelvic cancer underwent hybrid PET/MR examination. A total of 64 small lesions were included in this study, which were divided into two groups (≤ 10 mm and 10–30 mm). Visual scores of small lesion detection ability were rated by five-point ordinal scale. The visual scores and detectability of small lesions on TOF PET image, noTOF PET image, and DWI sequences of hybrid PET/MR examination with or without TOF technique were analyzed. Logistic regression model was established for analysis in the value of DWI in hybrid PET/MR examination with or without TOF technique in detection of the small lesions between two groups. Results: The visual evaluation revealed the small lesion (≤ 10 mm) visual scores of DWI (mean ± SD: 4.23 ± 1.41), TOF PET image (mean ± SD: 4.14 ± 0.89), and noTOF PET image (mean ± SD: 2.68 ± 1.13);.and the visual scores of small lesions (10–30 mm) on DWI (mean ± SD: 4.98 ± 0.15), TOF PET image (mean ± SD: 4.57 ± 0.59), and noTOF PET image (mean ± SD: 3.98 ± 1.05). The visual scores of all small lesions on DWI were higher than that on TOF PET data and noTOF PET data in both two groups (**P < 0.01). The missed diagnosis rates of small FDG avid lesions (≤ 10 mm) of DWI and noTOF PET image were 9.1% and 9.1%, respectively. However, the TOF PET-based clinical diagnosis detected all small lesions (≤ 30 mm). DWI was of great importance in detection of small lesions (≤ 10 mm) in the absence of TOF technique in PET/MR examination (**P < 0.01). DWI’s effect on detection of small lesions(10-30 mm) has shown no difference between PET/MR examinations with TOF and without TOF techniques (P > 0.05). Conclusion: DWI has significant value in the detection of small lesions (≤ 10 mm) in hybrid PET/MR examination without TOF technique for patients with primary abdominal and pelvic cancer. However, it had less detection benefits in the small lesions (≤ 10 mm) in hybrid PET/MR examination with TOF PET image.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Trajectory analysis via a geometric feature space approach

This study aimed to organize a body of trajectories in order to identify, search for and classify both common and uncommon behaviors among objects such as aircraft and ships. Existing comparison functions such as the Fréchet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as the total distance traveled and the distance between start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally, these features can generally be mapped easily to behaviors of interest to humans who are searching large databases. Most of these geometric features are invariant under rigid transformation. Furthermore, we demonstrate the use of different subsets of these features to identify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories and identify outliers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

High-throughput terahertz imaging: progress and challenges

Abstract Many exciting terahertz imaging applications, such as non-destructive evaluation, biomedical diagnosis, and security screening, have been historically limited in practical usage due to the raster-scanning requirement of imaging systems, which impose very low imaging speeds. However, recent advancements in terahertz imaging systems have greatly increased the imaging throughput and brought the promising potential of terahertz radiation from research laboratories closer to real-world applications. Here, we review the development of terahertz imaging technologies from both hardware and computational imaging perspectives. We introduce and compare different types of hardware enabling frequency-domain and time-domain imaging using various thermal, photon, and field image sensor arrays. We discuss how different imaging hardware and computational imaging algorithms provide opportunities for capturing time-of-flight, spectroscopic, phase, and intensity image data at high throughputs. Furthermore, the new prospects and challenges for the development of future high-throughput terahertz imaging systems are briefly introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A front-end readout Detector Board for the OpenPET electronics system

Here, we present a 16-channel front-end readout board for the OpenPET electronics system. A major task in developing a nuclear medical imaging system, such as a positron emission computed tomograph (PET) or a single-photon emission computed tomograph (SPECT), is the electronics system. While there are a wide variety of detector and camera design concepts, the relatively simple nature of the acquired data allows for a common set of electronics requirements that can be met by a flexible, scalable, and high-performance OpenPET electronics system. The analog signals from the different types of detectors used in medical imaging share similar characteristics, which allows for a common analog signal processing. The OpenPET electronics processes the analog signals with Detector Boards. Here we report on the development of a 16-channel Detector Board. Each signal is digitized by a continuously sampled analog-to-digital converter (ADC), which is processed by a field programmable gate array (FPGA) to extract pulse height information. A leading edge discriminator creates a timing edge that is "time stamped" by a time-to-digital converter (TDC) implemented inside the FPGA. In conclusion, this digital information from each channel is sent to an FPGA that services 16 analog channels, and then information from multiple channels is processed by this FPGA to perform logic for crystal lookup, DOI calculation, calibration, etc.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Uncertainty Analysis in Signal Timing

Presentation discusses applications of the standard detection problem to Time of Arrival (ToA) and Neutron Time of Flight (NToF).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

On-board Radiation Sensor and Low-Altitude Contour Mapping of Radiation Fields using UAS Swarm - 18239

This paper addresses the design of light weight radiation sensors for the small-scale unmanned aerial system (UAS), and its implementation for low-altitude radiation source localization and contour mapping. The compact, high-resolution gamma-ray CZT sensors were integrated to UAS platforms as plug-and-play components using Robot Operation System (ROS). In this work, the UAS swarm consists of three platforms positioned in circular formation. The onboard data analysis provides time and position stamped intensities of gamma-ray peaks for each UAS-based sensor that are used as the input data for the swarm flight control algorithm. Each UAS measures radiation simultaneously for estimating gradient of radiation to compute a bulk heading angle of the swarm for contour mapping, which can provide relatively precise boundary of the safe area for potential human exploration. The UAS radiation sensors allow measurements from just few meters up to hundreds of meters thus filling the gap between land- and helicopter- based platforms. The swarm of UAS has advantages over a single agent based approach in detecting radiative sources and effectively mapping the area. The proposed method can locate sources of radiation as well as mapping the contaminated area for enhancing situation awareness capabilities for first responders. Computer simulation is presented for UAS swarm based source localization and contour mapping in the simulated radiation fields created by the MCNP code. Selected key gradient estimation and contour mapping algorithms are validated experimentally with small scale multicopter UAS in the indoor flight test bed. (authors)

42 ENGINEERING↗
DOE OSTI2018

Summertime Aerosol across the North Slope of Alaska Field Campaign Report

The Summertime Aerosol across the North Slope of Alaska U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility field campaign, a collaborative effort between the University of Michigan and Baylor University, was focused on chemically characterizing sources of summertime aerosol impacting the Utqiagvik (Barrow, NSA) and the Oliktok Point (AMF3) ARM sites. This campaign was co-funded by a grant from the National Oceanic and Atmospheric Administration (NOAA, PI: Kerri Pratt, Co-I: Rebecca Sheesley) titled “Assessment of Atmospheric Aerosols Resulting from Oil and Gas Extraction Activities near the North Slope of Alaska”. The ARM field campaign took place on the North Slope of Alaska (NSA) from August 21 to September 30, 2015 and August 12 to September 20, 2016, with filter sampling occurring both years at both the NSA Barrow and AMF3 Oliktok Point sites. Online intensive measurements occurred at Barrow in 2015 and at Oliktok Point in 2016, coordinated with the arrival of the ARM Aerosol Observing System (AOS) in August 2016 at Oliktok Point. During 2015, the University of Michigan deployed the newly constructed aerosol time-of-flight mass spectrometer (ATOFMS), as well as a microanalysis particle sampler (MPS) to collect particles for offline analysis by computer-controlled scanning electron microscopy with energy-dispersive x-ray spectroscopy (CCSEM-EDX). Unfortunately, an issue with the time-of-flight mass spectrometer on the ATOFMS limited the number of particles that produced mass spectra during the 2015 study. This issue was subsequently fixed for the 2016 deployment. During 2016, the ATOFMS was deployed to the AMF3 at the Oliktok Point field site, in addition to a micro-orifice uniform deposition impactor (MOUDI) to collect particles for offline analysis by CCSEM-EDX. Notably, these measurements, to our knowledge, represent the first real-time, single-particle chemical characterization (aerosol mixing state) measurements at Utqiagvik and Oliktok Point. Online aerosol measurements also included: PM2.5 (particulate matter <2.5 μm) black carbon mass concentrations (aethalometer; Baylor) and size-resolved (0.013-20 μm) number concentrations (scanning mobility particle sizer, SMPS, and aerodynamic particle sizer, APS; Michigan). Baylor conducted filter sampling at both the Utqiagvik and Oliktok Point locations during both intensive operational periods (IOPs). Baylor deployed a total suspended particulate matter (TSP) sampler to Oliktok Point, and continuous one-week samples were collected in 2015 for a total of seven samples; during 2016, continuous 3-7 day samples were collected, for a total of 13 filters. Baylor deployed a TSP sampler and a PM1.0 sampler at Utqiagvik, Alaska; continuous 4-7 day filter samples were collected in 2015 for a total of eight samples. To supplement this campaign, PI Sheesley had a simultaneous DOE ARM field campaign at Utqiagvik and Oliktok Point (https://www.arm.gov/research/ campaigns/amf2016bbc), the goal of which was to collected continuous one-week TSP samples at both sites from June 2016 to September 2017. These results provide better context in terms of annual trends and for year-to-year variability and a final report with data was already submitted by PI Sheesley for that project. Analysis by Baylor focuses on TSP samples because of the extremely low PM loading on the PM1.0 sampler. Michigan deployed a three-stage impactor (0.07-5 μm PM collection) at Utqiagvik and a 10-stage impactor (0.056-10 μm PM collection) at Oliktok Point, during the 2015 and 2016 campaigns, respectively.

Arctic processes, North Slope of Alaska, Barrow, O↗
DOE OSTI2014

Physics-based shape matching for intraoperative image guidance

Purpose: Soft-tissue deformations can severely degrade the validity of preoperative planning data during computer assisted interventions. Intraoperative imaging such as stereo endoscopic, time-of-flight or, laser range scanner data can be used to compensate these movements. In this context, the intraoperative surface has to be matched to the preoperative model. The shape matching is especially challenging in the intraoperative setting due to noisy sensor data, only partially visible surfaces, ambiguous shape descriptors, and real-time requirements. Methods: A novel physics-based shape matching (PBSM) approach to register intraoperatively acquired surface meshes to preoperative planning data is proposed. The key idea of the method is to describe the nonrigid registration process as an electrostatic–elastic problem, where an elastic body (preoperative model) that is electrically charged slides into an oppositely charged rigid shape (intraoperative surface). It is shown that the corresponding energy functional can be efficiently solved using the finite element (FE) method. It is also demonstrated how PBSM can be combined with rigid registration schemes for robust nonrigid registration of arbitrarily aligned surfaces. Furthermore, it is shown how the approach can be combined with landmark based methods and outline its application to image guidance in laparoscopic interventions. Results: A profound analysis of the PBSM scheme based on in silico and phantom data is presented. Simulation studies on several liver models show that the approach is robust to the initial rigid registration and to parameter variations. The studies also reveal that the method achieves submillimeter registration accuracy (mean error between 0.32 and 0.46 mm). An unoptimized, single core implementation of the approach achieves near real-time performance (2 TPS, 7–19 s total registration time). It outperforms established methods in terms of speed and accuracy. Furthermore, it is shown that the method is able to accurately match partial surfaces. Finally, a phantom experiment demonstrates how the method can be combined with stereo endoscopic imaging to provide nonrigid registration during laparoscopic interventions. Conclusions: The PBSM approach for surface matching is fast, robust, and accurate. As the technique is based on a preoperative volumetric FE model, it naturally recovers the position of volumetric structures (e.g., tumors and vessels). It cannot only be used to recover soft-tissue deformations from intraoperative surface models but can also be combined with landmark data from volumetric imaging. In addition to applications in laparoscopic surgery, the method might prove useful in other areas that require soft-tissue registration from sparse intraoperative sensor data (e.g., radiation therapy)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Investigation of practical initial attenuation image estimates in TOF-MLAA reconstruction for PET/MR

Purpose: Time-of-flight joint attenuation and activity positron emission tomography reconstruction requires additional calibration (scale factors) or constraints during or post-reconstruction to produce a quantitative μ-map. In this work, the impact of various initializations of the joint reconstruction was investigated, and the initial average mu-value (IAM) method was introduced such that the forward-projection of the initial μ-map is already very close to that of the reference μ-map, thus reducing/minimizing the offset (scale factor) during the early iterations of the joint reconstruction. Consequently, the accuracy and efficiency of unconstrained joint reconstruction such as time-of-flight maximum likelihood estimation of attenuation and activity (TOF-MLAA) can be improved by the proposed IAM method. Methods: 2D simulations of brain and chest were used to evaluate TOF-MLAA with various initial estimates which include the object filled with water uniformly (conventional initial estimate), bone uniformly, the average μ-value uniformly (IAM magnitude initialization method), and the perfect spatial μ-distribution but with a wrong magnitude (initialization in terms of distribution). 3D GATE simulation was also performed for the chest phantom under a typical clinical scanning condition, and the simulated data were reconstructed with a fully corrected list-mode TOF-MLAA algorithm with various initial estimates. The accuracy of the average μ-values within the brain, chest, and abdomen regions obtained from the MR derived μ-maps was also evaluated using computed tomography μ-maps as the gold-standard. Results: The estimated μ-map with the initialization in terms of magnitude (i.e., average μ-value) was observed to reach the reference more quickly and naturally as compared to all other cases. Both 2D and 3D GATE simulations produced similar results, and it was observed that the proposed IAM approach can produce quantitative μ-map/emission when the corrections for physical effects such as scatter and randoms were included. The average μ-value obtained from MR derived μ-map was accurate within 5% with corrections for bone, fat, and uniform lungs. Conclusions: The proposed IAM-TOF-MLAA can produce quantitative μ-map without any calibration provided that there are sufficient counts in the measured data. For low count data, noise reduction and additional regularization/rescaling techniques need to be applied and investigated. The average μ-value within the object is prior information which can be extracted from MR and patient database, and it is feasible to obtain accurate average μ-value using MR derived μ-map with corrections as demonstrated in this work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

TH-A-17A-01: Innovation in PET Instrumentation and Applications

Innovation in PET instrumentation has led to the new millennium revolutionary imaging applications for diagnosis, therapeutic guidance, and development of new molecular imaging probes, etc. However, after several decades innovations, will the advances of PET technology and applications continue with the same trend and pace? What will be the next big thing beyond the PET/CT, PET/MRI, and Time-of-flight PET? How will the PET instrumentation and imaging performance be further improved by novel detector research and advanced imaging system development? Or will the development of new algorithms and methodologies extend the limit of current instrumentation and leapfrog the imaging quality and quantification for practical applications? The objective of this session is to present an overview of current status and advances in the PET instrumentation and applications with speakers from leading academic institutes and a major medical imaging company. Presenting with both academic research projects and commercial technology developments, this session will provide a glimpse of some latest advances and challenges in the field, such as using semiconductor photon-sensor based PET detectors to improve performance and enable new applications, as well as the technology trend that may lead to the next breakthrough in PET imaging for clinical and preclinical applications. Both imaging and image-guided therapy subjects will be discussed. Learning Objectives: Describe the latest innovations in PET instrumentation and applications Understand the driven force behind the PET instrumentation innovation and development Learn the trend of PET technology development for applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

The Kokkos Ecosystem [Brief]

In 2016/2017, the field of High-Performance Computing (HPC) entered a new era driven by fundamental physics challenges to produce ever more energy and cost-efficient processors. Since the convergence on the Message-Passing Interface (MPI) standard in the mid-1990s, application developers enjoyed a seemingly static view of the underlying machine — that of a distributed collection of homogeneous nodes executing in collaboration. However, after almost two decades of dominance, the sole use of MPI to derive parallelism acted as a limiter to improved future performance. While MPI is widely expected to continue to function as the basic mechanism for communication between compute nodes for the immediate future, additional parallelism is required on the computing node itself if high performance and efficiency goals are to be realized. When reviewing the architectures of the top HPC systems today, the change in paradigm is clear: the compute nodes of the leading machines in the world are either powered by many-core chips with a few dozen cores each, or use heterogeneous designs, where traditional CPUs marshal work to massively parallel compute accelerators which has as many as 200,000 processing threads in flight simultaneously. Complicating matters further for application developers, each processor vendor has its own preferred way of writing code for their architecture.The Kokkos EcoSystem was released by Sandia in 2017 to address this new era in HPC system design by providing a vendor independent performance portable programming system for scientific, engineering, and mathematical software applications written in the C++ programming language. Using Kokkos, application developers can be more productive because they will not have to create and maintain separate versions of their software for each architecture, nor will they have to be experts in each architecture's peculiar requirements. Instead, they will have a single method of programming for the diverse set of modern HPC architectures. While Kokkos started in 2011 as a programming model only, it soon became clear that complex applications needed more. It is also critical to have a portable mathematical functions and developers need tools to debug their applications, gain insight into the performance characteristics of their codes and tune algorithm performance parameters through automated processes. The Kokkos EcoSystem addresses those needs through its three main components: the Kokkos Core programming model, the Kokkos Kernels math library, and the Kokkos Tools project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Validation of DSMC results for chemically nonequilibrium air flows against measurements of the electron number density in RAM-C II flight experiment

An ionized flow around the RAM C-II vehicle in the range of altitudes from 73 to 81 km is studied by the Direct Simulation Monte Carlo (DSMC) method with three models of chemical reactions. It is demonstrated that vibration favoring in reactions of dissociation of neutral molecules affects significantly the predicted values of plasma density in the shock layer, and good agreement between the results of experiments and DSMC computations can be achieved in terms of the plasma density as a function of the flight altitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗