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

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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

First Direct Observations of Propagation of Discrete Chorus Elements From the Equatorial Source to Higher Latitudes, Using the Van Allen Probes and Arase Satellites

Whistler mode chorus waves have recently been established as the most likely candidate for scattering relativistic electrons to produce the electron microbursts observed by low altitude satellites and balloons. These waves would have to propagate from the equatorial source region to significantly higher magnetic latitude in order to scatter electrons of these relativistic energies. This theoretically proposed propagation has never been directly observed. We present the first direct observations of the same discrete rising tone chorus elements propagating from a near equatorial (Van Allen Probes) to an off-equatorial (Arase) satellite. The chorus is observed first on the more equatorial satellite and is found to be more oblique and significantly attenuated at the off-equatorial satellite. Further, this is consistent with the prevailing theory of chorus propagation and with the idea that chorus must propagate from the equatorial source region to higher latitudes. Ray tracing of chorus at the observed frequencies confirms that these elements could be generated parallel to the field at the equator, and propagate through the medium unducted to Van Allen Probes A and then to Arase with the observed time delay, and have the observed obliquity and intensity at each satellite.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Improved scaling of temperature-accelerated dynamics using localization

While temperature-accelerated dynamics (TAD) is a powerful method for carrying out non-equilibrium simulations of systems over extended time scales, the computational cost of serial TAD increases approximately as N{sup 3} where N is the number of atoms. In addition, although a parallel TAD method based on domain decomposition [Y. Shim et al., Phys. Rev. B 76, 205439 (2007)] has been shown to provide significantly improved scaling, the dynamics in such an approach is only approximate while the size of activated events is limited by the spatial decomposition size. Accordingly, it is of interest to develop methods to improve the scaling of serial TAD. As a first step in understanding the factors which determine the scaling behavior, we first present results for the overall scaling of serial TAD and its components, which were obtained from simulations of Ag/Ag(100) growth and Ag/Ag(100) annealing, and compare with theoretical predictions. We then discuss two methods based on localization which may be used to address two of the primary “bottlenecks” to the scaling of serial TAD with system size. By implementing both of these methods, we find that for intermediate system-sizes, the scaling is improved by almost a factor of N{sup 1/2}. Some additional possible methods to improve the scaling of TAD are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

TunIO: An AI-powered Framework for Optimizing HPC I/O

I/O operations are a known performance bottleneck of HPC applications. To achieve good performance, users often employ an iterative multistage tuning process to find an optimal I/O stack configuration. However, an I/O stack contains multiple layers, such as high-level I/O libraries, I/O middleware, and parallel file systems, and each layer has many parameters. These parameters and layers are entangled and influenced by each other. The tuning process is time-consuming and complex. In this work, we present TunIO, an AI-powered I/O tuning framework that implements several techniques to balance the tuning cost and performance gain, including tuning the high-impact parameters first. Furthermore, TunIO analyzes the application source code to extract its I/O kernel while retaining all statements necessary to perform I/O. It utilizes a smart selection of high-impact configuration parameters of the given tuning objective. Finally, it uses a novel Reinforcement Learning (RL)-driven early stopping mechanism to balance the cost and performance gain. Experimental results show that TunIO leads to a reduction of up to ≈73% in tuning time while achieving the same performance gain when compared to H5Tuner. It achieves a significant performance gain/cost of 208.4 MBps/min (I/O bandwidth for each minute spent in tuning) over existing approaches under our testing.

Rajesh, Neeraj↗
DOE OSTI2017

Comparative Implementation of High Performance Computing for Power System Dynamic Simulations

Dynamic simulation for transient stability assessment is one of the most important, but intensive, computations for power system planning and operation. Present commercial software is mainly designed for sequential computation to run a single simulation, which is very time consuming with a single processer. The application of High Performance Computing (HPC) to dynamic simulations is very promising in accelerating the computing process by parallelizing its kernel algorithms while maintaining the same level of computation accuracy. This paper describes the comparative implementation of four parallel dynamic simulation schemes in two state-of-the-art HPC environments: Message Passing Interface (MPI) and Open Multi-Processing (OpenMP). These implementations serve to match the application with dedicated multi-processor computing hardware and maximize the utilization and benefits of HPC during the development process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Accelerated Constrained Sparse Tensor Factorization on Massively Parallel Architectures

This study presents the first constrained sparse tensor factorization (cSTF) framework that optimizes and fully offloads computation to massively parallel GPU architectures, and the first performance characterization of cSTF on GPU architectures. In contrast to prior work on tensor factorization, where the matricized tensor times Khatri-Rao product (MTTKRP) is the primary performance bottleneck, our systematic analysis of the cSTF algorithm on GPUs reveals that adding constraints creates an additional bottleneck in the update operation for many real-world sparse tensors. While executing the update operation on the GPU brings significant speedup over its CPU counterpart, it remains a significant bottleneck. To further accelerate the update operation, we propose cuADMM, a new update algorithm that leverages algorithmic and code optimization strategies to minimize both computation and data movement on GPUs. As a result, our framework delivers significantly improved performance compared to prior state-of-the-art. On 10 real-world sparse tensors, our framework achieves geometric mean speedup of 5.1 × (max 41.59 ×) and 7.01 × (max 58.05 ×) on the NIVIDA A100 and H100 GPUs, respectively, over the state-of-the-art SPLATT library running on a 26-core Intel Ice Lake Xeon CPU.

Soh, Yongseok↗
DOE OSTI2022

Initial Investigation of Coupled Electron-Photon Transport with SCEPTRE and RAPTURE (Rev.1.1)

The SCEPTRE1 code models coupled photon and electron transport in material media using discrete ordinates methods. The code can use different solvers in 1D and 3D in parallel, promising users the ability to run problems that are significant both in physics and computational scale. One capability that is perhaps unique at this time in the NNSA complex is SCEPTRE’s coupled photon– electron transport physics in a discrete ordinates approach. For example, incident x–rays can generate a significant electron population, whose transport can be simulated within the same code. In this context, fully–coupled means that photons can produce electrons and electrons can produce photons; uncoupled or no–coupling means photons do not produce electrons. Partial–coupling, an intermediate option in which photons can produce electrons but electrons do not produce photons, is not considered in the present work. The MCNP code can treat this physics with a Monte Carlo approach. MCNP should be viewed as complementary to SCEPTRE in both computational method (Monte Carlo versus discrete ordinates) as well as data libraries. SCEPTRE and MCNP should provide important checks on each other, especially from complementary modeling frameworks of a S n (discrete ordinates) mesh based method versus Monte Carlo particle based method. In order to learn more about SCEPTRE, and how it might inform engineering work at the Laboratory, we used it to carry out a set of initial studies. This was a series of 1D simulations of photon beams hitting Aluminum slabs. Our studies mainly used SCEPTRE directly, and made little use of the closely associated RAPTURE code (more on this below). The goals of these studies were first, to familiarize ourselves with operating the code, and second, to begin to assess the importance of coupled electron–photon transport. To support these studies, we began to develop a set of scripts to initialize inputs, run tools, process outputs, and plot results. An initial version of these scripts has been committed to the Lightning workflow repository. This memo relates the results of those studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

A Model for Pair Production Limit Cycles in Pulsar Magnetospheres

Abstract It was recently proposed that the electric field oscillation as a result of self-consistent e ± pair production may be the source of coherent radio emission from pulsars. Direct particle-in-cell simulations of this process have shown that the screening of the parallel electric field by this pair cascade manifests as a limit cycle, as the parallel electric field is recurrently induced when pairs produced in the cascade escape from the gap region. In this work, we develop a simplified time-dependent kinetic model of e ± pair cascades in pulsar magnetospheres that can reproduce the limit-cycle behavior of pair production and electric field screening. This model includes the effects of a magnetospheric current, the escape of e ± , as well as the dynamic dependence of pair production rate on the plasma density and energy. Using this simple theoretical model, we show that the power spectrum of electric field oscillations averaged over many limit cycles is compatible with the observed pulsar radio spectrum.

Astronomy & Astrophysics↗
DOE OSTI2016

Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

Benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e., DMS, β -caryophyllene) as well as previously studied VOCs (i.e., isoprene, α -pinene). Using a field deployable chemical-ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt &minus;1 ) to DMS, isoprene, and α -pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (< 25 %) was observed for the detection of β -caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated ( R 2 > 0.95, 10 s averages) over a wide range of sampling conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

MILC staggered conjugate gradient performance on Intel KNL

We review our work done to optimize the staggered conjugate gradient (CG) algorithm in the MILC code for use with the Intel Knights Landing (KNL) architecture. KNL is the second gener- ation Intel Xeon Phi processor. It is capable of massive thread parallelism, data parallelism, and high on-board memory bandwidth and is being adopted in supercomputing centers for scientific research. The CG solver consumes the majority of time in production running, so we have spent most of our effort on it. We compare performance of an MPI+OpenMP baseline version of the MILC code with a version incorporating the QPhiX staggered CG solver, for both one-node and multi-node runs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Modernization of the Radiation Measurements Laboratory at the Advanced Test Reactor Complex

The Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) is a unique, water-cooled, high-flux test reactor capable of performing tests prototypical of PWR operating conditions. The Radiation Measurements Laboratory (RML) was founded in the 1960s to support reactor operations and to conduct independent scientific research. For nearly six decades RML has performed four primary functions: monitoring of radioactivity by gamma-ray spectroscopy of routine reactor samples, fluence rate determinations for irradiation cycles, fission-rate measurements for the ATR-Critical (ATR-C) Facility, and independent research and development of radiation detection systems and applications. Through the decades, RML has seen technological advancements that have been integrated into each of the critical functions of the laboratory. However, many of the measurement and analysis systems employed to this day can be improved by modernization. Recent progess at RML are improving reliability and accuracy of the radiation measurements performed in support of nuclear energy research for the U.S.A. Department of Energy. The control and data collection systems supporting ATR-C have been upgraded. New High-Purity Germanium (HPGe) spectrometers have been procured with liquid nitrogen recycling capabilities to improve up-time and reduce measurement uncertainties. Fluence-rate measurement techniques are also being improved to ensure accuracy, avoid systemic errors, and identify biases. In a parallel effort, new scientific research avenues are being explored which will provide an opportunity to further enhance the utilization of ATR and ensure the sustainability of the RML as nuclear research continues to evolve. The RML is improving the effectiveness of irradiation services provided by ATR while ensuring a sustainable future for nuclear energy research.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Modernization of the Radiation Measurements Laboratory at the Advanced Test Reactor Complex

The Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) is a unique, water-cooled, high-flux test reactor capable of performing tests prototypical of PWR operating conditions. The Radiation Measurements Laboratory (RML) was founded in the 1960s to support reactor operations and to conduct independent scientific research. For nearly six decades RML has performed four primary functions: monitoring of radioactivity by gamma-ray spectroscopy of routine reactor samples, fluence rate determinations for irradiation cycles, fission-rate measurements for the ATR-Critical (ATR-C) Facility, and independent research and development of radiation detection systems and applications. Through the decades, RML has seen technological advancements that have been integrated into each of the critical functions of the laboratory. However, many of the measurement and analysis systems employed to this day can be improved by modernization. Recent progress at RML is improving reliability and accuracy of the radiation measurements performed in support of nuclear energy research for the U.S.A. Department of Energy. The control and data collection systems supporting ATR-C have been upgraded. New High-Purity Germanium (HPGe) spectrometers have been procured with liquid nitrogen recycling capabilities to improve up-time and reduce measurement uncertainties. Fluence-rate measurement techniques are also being improved to ensure accuracy, avoid systemic errors, and identify biases. In a parallel effort, new scientific research avenues are being explored which will provide an opportunity to further enhance the utilization of ATR and ensure the sustainability of the RML as nuclear research continues to evolve. The RML is improving the effectiveness of irradiation services provided by ATR while ensuring a sustainable future for nuclear energy research.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Controls Status of Fermilab's PIP-II Project

The Fermilab Proton Improvement Project II (PIP-II) is building a new Super Conducting Linear Accelerator (SCL) accelerating protons to 800 MeV for injection into the rest of the FNAL beam complex. Key progress since the last status report given at ICALEPCS includes the adoption of modern DevOps practices with continuous integration and GitOps-based deployments, commissioning of EPICS-based systems at the Cryomodule Test Facility, and integration of a Virtual Accelerator framework for application development ahead of installation. In parallel, web-based applications using Dart and Flutter have matured, providing secure, unified access to both EPICS and legacy ACNET data. Data acquisition and timing systems have also evolved. This paper presents the current state of controls, emphasizing these recent developments and outlining upcoming milestones as PIP-II approaches commissioning of its cryoplant in 2026 and the Warm Front End in 2027.

Crisp, D. B. [Fermilab]↗
DOE OSTI2016

Enabling parallel simulation of large-scale HPC network systems

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks used in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes

PFLOTRAN solves a system of generally nonlinear partial differential equations describing multi-phase, multicomponent and multiscale reactive flow and transport in porous materials. The code is designed to run on massively parallel computing architectures as well as workstations and laptops (e.g. Hammond et al., 2011). Parallelization is achieved through domain decomposition using the PETSc (Portable Extensible Toolkit for Scientific Computation) libraries for the parallelization framework (Balay et al., 1997). PFLOTRAN has been developed from the ground up for parallel scalability and has been run on up to 218 processor cores with problem sizes up to 2 billion degrees of freedom. Written in object oriented Fortran 90, the code requires the latest compilers compatible with Fortran 2003. At the time of this writing this requires gcc 4.7.x, Intel 12.1.x and PGC compilers. As a requirement of running problems with a large number of degrees of freedom, PFLOTRAN allows reading input data that is too large to fit into memory allotted to a single processor core. The current limitation to the problem size PFLOTRAN can handle is the limitation of the HDF5 file format used for parallel IO to 32 bit integers. Noting that 2 32 = 4; 294; 967; 296, this gives an estimate of the maximum problem size that can be currently run with PFLOTRAN. Hopefully this limitation will be remedied in the near future.

58 GEOSCIENCES↗
DOE OSTI2021

Computational Fluid Dynamics Using the Adaptive Wavelet-Collocation Method

Advancements to the adaptive wavelet-collocation method over the last decade have opened up a number of new possible areas for active research. Volume penalization techniques allow complex immersed boundary conditions to be used with high efficiency for both internal and external flows. Anisotropic methods make it possible to use body-fitted meshes while still taking advantage of the dynamic adaptability properties wavelet-based methods provide. The parallelization of the approach has made it possible to perform large high-resolution simulations of detonation initiation and fluid instabilities to uncover new physical insights that would otherwise be difficult to discover. Other developments include space-time adaptive methods and nonreflecting boundary conditions. This article summarizes the work performed using the adaptive wavelet-collocation method developed by Vasilyev and coworkers over the past decade.

42 ENGINEERING↗
DOE OSTI2025

Automated and highly parallelized Bayesian optimization scheme for direct drive fusion experiments on OMEGA

Finding the optimal implosion design on existing experimental facilities for inertial confinement fusion requires an exhaustive search of the vast design parameter space. This is infeasible both with experiments and with simulations. Consequently, a large fraction of the experimentally realizable design space remains unexplored, and new design schemes are challenging to optimize in a reasonable time frame. On the OMEGA laser facility, predictive machine learning models have been developed to accurately forecast the result of an experiment using only inexpensive simulations and the large dataset of prior experimental data. However, the full design space remains vast enough to be unassailable with simple optimization techniques. Here we develop an automated and optimally parallel Bayesian optimization algorithm that can entirely optimize the target and pulse shape of a direct-drive ICF implosion under a given design paradigm. We use this algorithm to find a markedly improved design for the performance implosions on OMEGA that is predicted to hydroequivalently scale to ignition at 2.15 MJ.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Instability Issue of Paralleled Dies in an SiC Power Module in Solid-State Circuit Breaker Applications

Paralleled dies in a power module could have instability issues during high current switching transients. Here, the instability is caused by the differential-mode oscillation among paralleled MOSFETs. Conventional analyses of paralleled MOSFETs’ stability are normally limited to a single operating point, which ignores the influences of the switching trajectory and nonlinear device parameters on stability. This article reveals that the switching trajectory can significantly influence parallel stability. The analysis is improved by solving eigenvalues of state-space modeling system matrices of all operating points that the switching trajectory goes through considering nonlinear device parameters. Higher voltage and current stresses result in greater real parts of complex eigenvalues, which explains why the paralleled MOSFETs are more unstable with higher voltage and current stresses. To improve stability in solid-state circuit breaker applications, we propose a method to manipulate the switching trajectory to avoid the unstable region where the conventional hard switching trajectory normally goes through. Experimental results show that the turn- off current capability can be increased from ~five times of rated current with the gate oscillation using the conventional turn- off trajectory to ~ten times of rated current without the gate oscillation using the optimal turn- off trajectory.

42 ENGINEERING↗
DOE OSTI2025

Parallelized telecom quantum networking with an ytterbium-171 atom array

The integration of quantum computers and sensors into a quantum network enables new capabilities in quantum information science. Most networks with atom-like qubits operate at visible or near-ultraviolet wavelengths and require conversion to the telecom band for long-distance communication, which reduces efficiency and potentially introduces noise. In this article we report high-fidelity entanglement between ytterbium-171 atoms and optical photons generated directly in the telecommunication band, where fibre loss is low. The nuclear spin of the atom is entangled with a single photon in the time-bin basis, yielding a high atom-measurement-corrected atom–photon Bell state fidelity. This can be further improved by addressing photon measurement errors. By imaging the atom array onto an optical fibre array, we also implement a parallelized networking protocol that can increase the remote entanglement rate proportionately with the number of channels. We also preserve coherence on a memory qubit during operations on communication qubits. These results support the integration of atomic systems into scalable quantum networks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗