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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Characterization of an imploding cylindrical plasma for electron transport studies using x-ray emission spectroscopy

We report here on the characterization of the conditions of an imploding cylindrical plasma by time-resolved x-ray emission spectroscopy. Knowledge about this implosion platform can be applied to studies of particle transport for inertial confinement fusion schemes or to astrophysical plasmas. A cylindrical Cl-doped CH foam within a tube of solid CH was irradiated by 36 beams (I total ~5×10 14 W/cm 2 , 1.5ns square pulse, and E total ~ 16.2kJ) of the OMEGA-60 laser to radially compress the CH toward the axis. The analysis of the time-resolved spectra showed that the compression can be described by four distinct phases, each presenting different plasma conditions. First the ablation of the cylinder is dominant; second, the foam is heated and induces a significant jump in emission intensities; third, the temperature and density of the foam reaches a maximum; and finally, the plasma expands. Ranges for the plasma temperature were inferred with the atomic physics code SCRAM (Spectroscopic Collisional-Radiative Atomic Model) and the experimental data have been compared to hydrodynamic simulations performed with the 2D code FLASH, which showed a similar implosion dynamic over time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

In situ multimodal imaging for nanoscale visualization of tribofilm formation

A third of the energy from fuel combustion in passenger car gasoline engines is lost due to friction. Carefully designed engine lubricants can recover some of these losses by reducing friction and wear by forming a nanometer-scale chemico-physico tribofilm between surfaces. Accordingly, attention has focused on developing oil formulations that form low-friction tribofilms. However, analyses of resultant tribofilms are typically conducted after tribo-tests with conventional characterization tools and do not offer insights into tribofilm formation and evolution, precluding information critical to tuning tribofilm properties. In this work, we developed a unique multimodal methodology based on Atomic Force Microscopy (AFM) with local probe heating for in situ tribological studies that activates friction modifiers and simultaneously captures the evolution of friction and surface roughness, with nanometer resolution. As a platform to demonstrate the ability of this methodology to visualize dynamics of tribofilm formation in situ, we apply it to molybdenum-based friction modifiers to distinguish key factors in their functionality and correlate nanoscale AFM and Friction Force Microscopy data to bench tribo-tests used in the industry. To decode the formation mechanisms observed in situ and underlying chemistry of tribofilms, we performed ab initio Molecular Dynamics (AIMD) simulations at comparable conditions. AIMD simulations confirmed both nanoscale and bench tribo-test results and showed deviations in molecular organization in tribofilms that are formed from different molybdenum-based friction modifiers that corroborates with surface functionality. With this innovative methodology, we demonstrate proof-of-principle in situ formation of molybdenum-based tribofilms directly on steel surfaces that could be applied generally to studying tribofilm formation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling the spectral modification of lower hybrid wave in the presence of drift-wave type density fluctuation in the scrape-off-layer of the EAST tokamak

In this work, the spectrum change of the lower hybrid (LH) waves caused by a low-frequency density fluctuation in the scrape-off-layer is studied by applying the wave scattering model developed by Bonoli and Ott [Phys. Fluids 25, 359 (1982)] via a Monte Carlo method. A ray-tracing model specific to this purpose is developed to evaluate the probability distribution of both the poloidal refractive index (N θ ) and the parallel refractive index (N ∥ ) of the LH wave at the last closed flux surface (LCFS).The probability distributions of N ∥ and N θ at the LCFS are studied using the EAST parameters as a function of wave frequency, the initial N ∥ , and the polar injection position, which may influence the lower hybrid current drive efficiency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Digital autofocusing of a coded-aperture Laue diffraction microscope

To provide optimal depth resolution with a coded-aperture Laue diffraction microscope, an accurate position of the coded-aperture and its scanning geometry need to be known. However, finding the geometry by trial and error is a time-consuming and often challenging process because of the large number of parameters involved. In this paper, we propose an optimization approach to automate the focusing process after data is collected. Here we demonstrate the robustness and efficiency of the proposed approach with experimental data taken at a synchrotron facility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Probing elemental diffusion and radiation tolerance of perovskite solar cells via non-destructive Rutherford backscattering spectrometry

Mixed organic–inorganic halide perovskite-based solar cells have attracted interest in recent years due to their potential for both terrestrial and space applications. Analysis of interfaces is critical to predicting device behavior and optimizing device architectures. Most advanced tools to study buried interfaces are destructive in nature and can induce further degradation. Ion beam techniques, such as Rutherford backscattering spectrometry (RBS), is a useful non-destructive method to probe an elemental depth profile of multilayered perovskite solar cells (PSCs) as well as to study the inter-diffusion of various elemental species across interfaces. Additionally, PSCs are becoming viable candidates for space photovoltaic applications, and it is critical to investigate their radiation-induced degradation. RBS can be simultaneously utilized to analyze the radiation effects induced by He+ beam on the device, given their presence in space orbits. In the present work, a 2 MeV He+ beam was used to probe the evidence of elemental diffusion across PSC interfaces with architecture glass/ITO/SnO2/Cs0.05(MA0.17FA0.83)0.95Pb(I0.83Br0.17)3/spiro-OMeTAD/MoO3/Au. During the analysis, the device active area was exposed to an irradiation equivalent of up to 1.62 × 1015 He+/cm2, and yet, no measurable evidence (with a depth resolution ∼1 nm) of beam-induced ion migration was observed, implying high radiation tolerance of PSCs. On the other hand, aged PSCs exhibited indications of the movement of diverse elemental species, such as Au, Pb, In, Sn, Br, and I, in the active area of the device, which was quantified with the help of RBS.

14 SOLAR ENERGY↗
DOE OSTI2025

Advanced Simulation of ITER Core X-ray Crystal Spectroscopy

X-Ray Simulation Analysis (XRSA) is an analytical ray-tracing mixed code developed specifically for the ITER Core X-Ray Crystal Spectroscopy (XRCS-Core) diagnostic, which employs a dual-reflection configuration incorporating multiple pre-reflectors made of Highly Oriented Pyrolytic Graphite (HOPG) and spherically curved analyzing crystals. The ITER XRCS-Core is designed for high spectral resolution measurement in specific wavelength ranges, including narrow bands around 1.354 Å for W 64+ , 2.19 Å for Xe 51+ , and 2.555 Å for Xe 44+ and Xe 47+ , enabling diagnostic capability across a broad electron temperature range in the ITER plasma. XRSA facilitates efficient simulation of the spectral performance of this complex X-ray spectroscopic system. Recent updates to the XRSA code have incorporated two critical effects: auto-focusing, which specifically applies to HOPG, and polarization. These two effects are particularly important in the dual-reflection configuration used in the ITER XRCS-Core system to provide more accurate modeling results. Here, simulations conducted with the updated code demonstrate that polarization has a substantial impact on the performance of the dual-reflection system. Additionally, the combined influence of polarization and system layout introduces performance variations across channels through the same crystal.

Computer graphics↗
DOE OSTI2025

A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations

We report on a methodology for performing laser ray-tracing in three spatial dimensions for radiation-hydrodynamics simulation codes. Our method, which is an extension of that developed in Haines et al., Comput. Fluids 201, 104478 (2020), utilizes an automatically generated separate mesh for the laser ray-tracing from the radiation-hydrodynamics mesh. This enables the laser mesh to be tailored to minimize ray noise with significantly fewer rays than would be required when the ray-tracing is performed on the radiation-hydrodynamics mesh, primarily by allowing the use of high-aspect-ratio cells that are not suitable for hydrodynamics solvers. For a planar target, we show that our method provides a ≈ 100× reduction in computational expense to achieve a fixed level of ray noise relative to ray-tracing directly on the radiation-hydrodynamics mesh. The relatively low ray requirement also enables efficient computation of cross-beam energy transfer. Each cell in the logically cubic laser mesh is a non-convex dodecahedron with triangular sides, and numerical integration of the ray trajectories and inverse bremsstrahlung is performed by mapping each cell to the unit cube. We will describe our methodology in detail as well as its implementation in the xRAGE radiation-hydrodynamics code, discuss performance, and present the results from applying the methodology to test problems with analytic solutions for laser ray-tracing through a quadratic density gradient with an analytic solution as well as for a laser-driven heat front. In 3D radiation-hydrodynamics simulations of laser-driven experiments performed on the National Ignition Facility, laser ray-tracing with our methodology uses less than 1% of total computational time while introducing acceptably low levels of ray noise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

High-resolution bandpass x-ray imaging with crystal reflectors: Overcoming geometric aberrations

The imaging problem of a specular reflector is revisited. Retaining terms through the second order in the reflector surface expansion, we derive the form of the aberration-limiting aperture for arbitrary magnification, assuming no bandwidth limitations. A permissible relative aperture size of the reflector is limited by a set relative aberration tolerance and scales with the tangent of the central glancing angle of incidence. These limiting aberrations become practically insignificant near backscattering. The results extend to x-ray diffracting crystals in symmetric Bragg geometry shaped as an ellipsoid of revolution. This geometry permits polychromatic imaging for hard x-rays over a bandwidth defined by the accepted range of Bragg angles, thereby suppressing aberrations of higher orders. We assess ellipsoidal crystal imagers using ray tracing simulations for two high-magnification designs with Bragg angles far from and close to backscattering. Finally, in both cases, the ellipsoidal crystals produce images of higher quality compared to those formed by equivalent toroidal crystal imagers.

Bragg reflection↗
DOE OSTI2024

Unified wavefront singularity characterization of three-dimensional elastodynamic time-domain half-space Green's function under impulsive boundary and internal loads

Founded on a novel analytical formulation that led to a rigorous yet compact path-integral representation of the time-domain elastodynamic half-space Green's function, a unified analysis of the possible occurrence of different singular wavefront behaviour in the response under arbitrary impulsive internal or surface point loads at arbitrary source-receiver locations is presented. With the decomposition of the general solution into distinct initiating and reflected wave group integrals that share a common factored format and simple contour definitions, the mathematical framework is shown to allow a straightforward identification of the specific conditions and the particular wave groups that are responsible for the singular wavefront phenomena without resorting to advanced analytic function theories or asymptotic methods. Analytic characterizations of the nature, strength and direction of all intrinsic singular wavefront behaviours of the three-dimensional Green's function in three canonical cases of source-receiver configurations are given in a dual integral-closed form format to facilitate their theoretical understanding as well as computational applications. Graphical illustrations of their variation with the source-receiver configuration and the medium's Poisson's ratio together with relevant comparison and clarifications of some classical treatments are included.

Green’s functions↗
DOE OSTI2020

A High-Throughput Solver for Marginalized Graph Kernels on GPU

Here, we present the design and optimization of a solver for efficient and high-throughput computation of the marginalized graph kernel on General Purpose GPUs. The graph kernel is computed using the conjugate gradient method to solve a generalized Laplacian of the tensor product between a pair of graphs. To cope with the large gap between the instruction throughput and the memory bandwidth of the GPUs, our solver forms the graph tensor product on-the-fly without storing it in memory. This is achieved by using threads in a warp cooperatively to stream the adjacency and edge label matrices of individual graphs by small square matrix blocks called tiles, which are then staged in registers and the shared memory for later reuse. Warps across a thread block can further share tiles via the shared memory to increase data reuse. We exploit the sparsity of the graphs hierarchically by storing only non-empty tiles using a coordinate format and nonzero elements within each tile using bitmaps. We propose a new partition-based reordering algorithm for aggregating nonzero elements of the graphs into fewer but denser tiles to further exploit sparsity. We carry out extensive theoretical analyses on the graph tensor product primitives for tiles of various density and evaluate their performance on synthetic and real-world datasets. Our solver delivers three to four orders of magnitude speedup over existing CPU-based solvers such as GraKeL and GraphKernels. The capability of the solver enables kernel-based learning tasks at unprecedented scales.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

WarpIV: In situ visualization and analysis of ion accelerator simulations

The generation of short pulses of ion beams through the interaction of an intense laser with a plasma sheath offers the possibility of compact and cheaper ion sources for many applications--from fast ignition and radiography of dense targets to hadron therapy and injection into conventional accelerators. To enable the efficient analysis of large-scale, high-fidelity particle accelerator simulations using the Warp simulation suite, the authors introduce the Warp In situ Visualization Toolkit (WarpIV). WarpIV integrates state-of-the-art in situ visualization and analysis using VisIt with Warp, supports management and control of complex in situ visualization and analysis workflows, and implements integrated analytics to facilitate query- and feature-based data analytics and efficient large-scale data analysis. WarpIV enables for the first time distributed parallel, in situ visualization of the full simulation data using high-performance compute resources as the data is being generated by Warp. The authors describe the application of WarpIV to study and compare large 2D and 3D ion accelerator simulations, demonstrating significant differences in the acceleration process in 2D and 3D simulations. WarpIV is available to the public via https://bitbucket.org/berkeleylab/warpiv. The Warp In situ Visualization Toolkit (WarpIV) supports large-scale, parallel, in situ visualization and analysis and facilitates query- and feature-based analytics, enabling for the first time high-performance analysis of large-scale, high-fidelity particle accelerator simulations while the data is being generated by the Warp simulation suite. Furthermore, this supplemental material https://extras.computer.org/extra/mcg2016030022s1.pdf provides more details regarding the memory profiling and optimization and the Yee grid recentering optimization results discussed in the main article.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

ColorMoves: Real-time Interactive Colormap Construction for Scientific Visualization

This article presents ColorMoves, an interactive tool that promotes exploration of scientific data through artist-driven color methods in a unique and transformative way. Here, we discuss the power of contrast in scientific visualization, the design of the ColorMoves tool, and the tools application in several science domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Challenges in Visual Analysis of Ensembles

Modeling physical phenomena through computational simulation increasingly relies on generating a collection of related runs, known as an ensemble. In this paper, we explore the challenges we face in developing analysis and visualization systems for large and complex ensemble data sets, which we seek to understand without having to view the results of every simulation run. Implementing approaches and ideas developed in response to this goal, we demonstrate the analysis of a 15K run material fracturing study using Slycat, our ensemble analysis system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Performance Portability in the Exascale Computing Project: Exploration Through a Panel Series

Performance portability is a critical issue for the Exascale Computing Project (ECP) because of nontrivial architectural differences between machines available today and those expected at exascale. Many ECP project teams are working toward performance portability, and would expect to benefit from sharing lessons learned, identifying gaps, and discovering opportunities for partnerships. To facilitate this communication, the IDEAS-ECP project partnered with the three focus areas of ECP (application development, software technology, and hardware and integration), and Department of Energy computing facilities, to lead a series of panel discussions on performance portability. The panels were organized around broadly common themes of algorithmic and data locality challenges. In this article, we describe the panel series, its objectives, and perspectives from the various areas of the project. Finally, we also discuss use cases that are distinctive, as well as conclusions drawn from the collective experience of the participants.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Co-design for Particle Applications at Exascale

Co-design across the Exascale Computing Project (ECP) has been critical for both enabling science applications and bringing disparate communities together. Developing and porting applications to the various high-performance computing (HPC) architectures on pre-exascale and exascale computers has been quite challenging due to the diversity of hardware features and software stacks. The Co-design Center for Particle Applications (CoPA) has developed and enhanced the Cabana and PROGRESS/BML libraries to facilitate the creation of new particle applications, make existing particle applications exascale capable, and allow teams to explore new capabilities. Particle methods from atomistic, mesoscale, continuum, through cosmological scales have been built with Cabana, along with new possibilities for application coupling. Similarly, the PROGRESS/BML library has enabled quantum particle applications with linear algebra solvers to use advanced hardware. Across these CoPA-developed libraries, the co-design abstraction layer combines performance portability with math library support to facilitate separation of concerns and directly support science runs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Integrating Energy-Efficient Computing with Computational Research to Accelerate Energy Technology

NREL's computational sciences center hosts the largest high performance computing (HPC) capabilities dedicated to energy research while functioning as a living laboratory for energy-efficient computing. NREL's HPC capabilities support the research needs of the Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). In ten years of operation, HPC use in EERE-sponsored research has grown by a factor of 30, including work in electricity generation, energy efficiency, transportation, and energy system modeling. This paper analyzes this research portfolio, providing examples of individual use cases. The paper documents NREL's history of operating one of the world's most energy-efficient data centers while examining pathways to reduce economic and environmental impact beyond reduction of Power Usage Efficiency (PUE). This paper concludes by examining the unique opportunities created for accelerating improvements in data center efficiency created by combining an HPC system dedicated to energy research and a research program in energy-efficient computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Scalable Contour Tree Computation by Data Parallel Peak Pruning

As data sets grow to exascale, automated data analysis and visualization are increasingly important, to intermediate human understanding and to reduce demands on disk storage via in situ analysis. Trends in architecture of high performance computing systems necessitate analysis algorithms to make effective use of combinations of massively multicore and distributed systems. One of the principal analytic tools is the contour tree, which analyses relationships between contours to identify features of more than local importance. Unfortunately, the predominant algorithms for computing the contour tree are explicitly serial, and founded on serial metaphors, which has limited the scalability of this form of analysis. While there is some work on distributed contour tree computation, and separately on hybrid GPU-CPU computation, there is no efficient algorithm with strong formal guarantees on performance allied with fast practical performance. Furthermore, we report the first shared SMP algorithm for fully parallel contour tree computation, with formal guarantees of O(lg V lg t) parallel steps and O(V lg V) work for data with V samples and t contour tree supernodes, and implementations with more than 30× parallel speed up on both CPU using TBB and GPU using Thrust and up 70× speed up compared to the serial sweep and merge algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Real-Time Omnidirectional Stereo Rendering: Generating 360° Surround-View Panoramic Images for Comfortable Immersive Viewing

Surround-view panoramic images and videos have become a popular form of media for interactive viewing on mobile devices and virtual reality headsets. Viewing such media provides a sense of immersion by allowing users to control their view direction and experience an entire environment. When using a virtual reality headset, the level of immersion can be improved by leveraging stereoscopic capabilities. Stereoscopic images are generated in pairs, one for the left eye and one for the right eye, and result in providing an important depth cue for the human visual system. For computer generated imagery, rendering proper stereo pairs is well known for a fixed view. However, it is much more difficult to create omnidirectional stereo pairs for a surround-view projection that work well when looking in any direction. One major drawback of traditional omnidirectional stereo images is that they suffer from binocular misalignment in the peripheral vision as a user's view direction approaches the zenith / nadir (north / south pole) of the projection sphere. This paper presents a real-time geometry-based approach for omnidirectional stereo rendering that fits into the standard rendering pipeline. Our approach includes tunable parameters that enable pole merging - a reduction in the stereo effect near the poles that can minimize binocular misalignment. Results from a user study indicate that pole merging reduces visual fatigue and discomfort associated with binocular misalignment without inhibiting depth perception.

360° panorama↗