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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Diffuse-Interface Capturing Methods for Compressible Two-Phase Flows

Simulation of compressible flows became a routine activity with the appearance of shock-/contact-capturing methods. These methods can determine all waves, particularly discontinuous ones. However, additional difficulties may appear in two-phase and multimaterial flows due to the abrupt variation of thermodynamic properties across the interfacial region, with discontinuous thermodynamical representations at the interfaces. To overcome this difficulty, researchers have developed augmented systems of governing equations to extend the capturing strategy. These extended systems, reviewed here, are termed diffuse-interface models, because they are designed to compute flow variables correctly in numerically diffused zones surrounding interfaces. In particular, they facilitate coupling the dynamics on both sides of the (diffuse) interfaces and tend to the proper pure fluid–governing equations far from the interfaces. This strategy has become efficient for contact interfaces separating fluids that are governed by different equations of state, in the presence or absence of capillary effects, and with phase change. As a result, more sophisticated materials than fluids (e.g., elastic–plastic materials) have been considered as well.

42 ENGINEERING↗
DOE OSTI2022

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

PeleC: An adaptive mesh refinement solver for compressible reacting flows

Reacting flow simulations for combustion applications require extensive computing capabilities. Leveraging the AMReX library, the Pele suite of combustion simulation tools targets the largest supercomputers available and future exascale machines. We introduce PeleC, the compressible solver in the Pele suite, and detail its capabilities, including complex geometry representation, chemistry integration, and discretization. We present a comparison of development efforts using both OpenACC and AMReX’s C++ performance portability framework for execution on multiple GPU architectures. We discuss relevant details that have allowed PeleC to achieve high performance and scalability. PeleC’s performance characteristics are measured through relevant simulations on multiple supercomputers. The success of PeleC’s design for exascale is exhibited through demonstration of a 160 billion cell simulation and weak scaling onto 100% of Summit, an NVIDIA-based GPU supercomputer at Oak Ridge National Laboratory. Our results provide confidence that PeleC will enable future combustion science simulations with unprecedented fidelity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Reaction-space analysis of homogeneous charge compression ignition combustion with varying levels of fuel stratification under positive and negative valve overlap conditions

Full-cycle computational fluid dynamics simulations with gasoline chemical kinetics were performed to determine the impact of breathing and fuel injection strategies on thermal and compositional stratification, combustion and emissions during homogeneous charge compression ignition combustion. The simulations examined positive valve overlap and negative valve overlap strategies, along with fueling by port fuel injection and direct injection. The resulting charge mass distributions were analyzed prior to ignition using ignition delay as a reactivity metric. The reactivity stratification arising from differences in the distributions of fuel–oxygen equivalence ratio (Φ FO ), oxygen molar fraction (χ O2 ) and temperature (T) was determined for three parametric studies. In the first study, the reactivity stratification and burn duration for positive valve overlap valve events with port fuel injection and early direct injection were nearly identical and were dominated by wall-driven thermal stratification. nitrogen oxide (NO) and carbon monoxide (CO) emissions were negligible for both injection strategies. In the second study, which examined negative valve overlap valve events with direct injection and port fuel injection, reactivity stratification increased for direct injection as the Φ FO and T distributions associated with direct fuel injection into the hot residual gas were positively correlated; however, the latent heat absorbed from the hot residual gas by the evaporating direct injection fuel jet reduced the overall thermal and reactivity stratification. These stratification effects were offsetting, resulting in similar reactivity stratification and burn durations for the two injection strategies. The higher local burned gas temperatures with direct injection resulted in an order of magnitude increase in NO, while incomplete combustion of locally over-lean regions led to a sevenfold increase in CO emissions compared to port fuel injection. The final study evaluated positive valve overlap and negative valve overlap valve events with direct injection. Furthermore, relative to positive valve overlap, the negative valve overlap condition had a wider reactivity stratification, a longer burn duration and higher NO and CO emissions associated with reduced fuel–air mixing.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Computational study on the impact of gasoline-ethanol blending on autoignition and soot/NO x emissions under low-load gasoline compression ignition conditions

Here, in the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NO x ), and soot emissions under low-load conditions. In order to represent the test gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF)+ethanol (ETPRF) surrogate (with 10% ethanol by volume; E10) is employed. A three-dimensional (3D) engine CFD model employing finite-rate chemistry with a skeletal kinetic mechanism (including NO x sub-mechanism), adaptive mesh refinement (AMR), and hybrid method of moments (HMOM) is adopted to capture the in-cylinder combustion phenomena and soot/NO x emissions. The engine CFD model is validated against experimental data for three gasoline-ethanol blends: E10, E30 and E100, with varying ethanol content by volume. Model validation is carried out for a broad range of start-of-injection (SOI) timings (−21, −27, −36, and −45 crank angle degrees (°CA) after top-dead-center (aTDC)) with respect to in-cylinder pressure, heat release rate, combustion phasing, NO x and soot emissions. For relatively later injection timings (−21 and −27 °CA aTDC), E30 yields higher amount of soot than E10; while the trend reverses for early injection cases (−36 and −45 °CA aTDC ). On the other hand, E100 yields the lowest amount of soot among all fuels irrespective of SOI timing. Further, E10 shows a non-monotonic trend in soot emissions with SOI timing: SOI-36>SOI-45>SOI-21>SOI-27, while soot emissions from E30 exhibit monotonic decrease with advancing SOI timing. NO x emissions from various fuels follow a trend of E10>E30>E100. On the other hand, NO x emissions increase as SOI timing is advanced for all fuels, with an anomaly for E10 and E100 where NO x decreases when SOI is advanced beyond −36 °CA aTDC. Detailed analysis of the numerical results is performed to investigate the soot/NO x emission trends and elucidate the impact of chemical composition and physical properties on autoignition and emissions characteristics.

Computational fluid dynamics↗
DOE OSTI2014

Exact reconstruction of gene regulatory networks using compressive sensing

We consider the problem of reconstructing a gene regulatory network structure from limited time series gene expression data, without any a priori knowledge of connectivity. We assume that the network is sparse, meaning the connectivity among genes is much less than full connectivity. We develop a method for network reconstruction based on compressive sensing, which takes advantage of the network’s sparseness. For the case in which all genes are accessible for measurement, and there is no measurement noise, we show that our method can be used to exactly reconstruct the network. For the more general problem, in which hidden genes exist and all measurements are contaminated by noise, we show that our method leads to reliable reconstruction. In both cases, coherence of the model is used to assess the ability to reconstruct the network and to design new experiments. We demonstrate that it is possible to use the coherence distribution to guide biological experiment design effectively. By collecting a more informative dataset, the proposed method helps reduce the cost of experiments. For each problem, a set of numerical examples is presented. The method provides a guarantee on how well the inferred graph structure represents the underlying system, reveals deficiencies in the data and model, and suggests experimental directions to remedy the deficiencies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Applying compressive sensing to TEM video: A substantial frame rate increase on any camera

One of the main limitations of imaging at high spatial and temporal resolution during in-situ transmission electron microscopy (TEM) experiments is the frame rate of the camera being used to image the dynamic process. While the recent development of direct detectors has provided the hardware to achieve frame rates approaching 0.1 ms, the cameras are expensive and must replace existing detectors. In this paper, we examine the use of coded aperture compressive sensing (CS) methods to increase the frame rate of any camera with simple, low-cost hardware modifications. The coded aperture approach allows multiple sub-frames to be coded and integrated into a single camera frame during the acquisition process, and then extracted upon readout using statistical CS inversion. Here we describe the background of CS and statistical methods in depth and simulate the frame rates and efficiencies for in-situ TEM experiments. Depending on the resolution and signal/noise of the image, it should be possible to increase the speed of any camera by more than an order of magnitude using this approach.

36 MATERIALS SCIENCE↗
DOE OSTI2023

LTE-P-1 GDL Compressibility

Ex-situ measurement of the compressibility of Gas Diffusion Layer (GDL) materials for use as electrode materials in applications such as fuel cells, electrolyzers, and batteries.

08 HYDROGEN↗
DOE OSTI2011

The compression pathway of quartz

The structure of quartz over the temperature domain (298 K, 1078 K) and pressure domain (0 GPa, 20.25 GPa) is compared to the following three hypothetical quartz crystals: (1) Ideal {alpha}-quartz with perfectly regular tetrahedra and the same volume and Si-O-Si angle as its observed equivalent (ideal {beta}-quartz has Si-O-Si angle fixed at 155.6{sup o}). (2) Model {alpha}-quartz with the same Si-O-Si angle and cell parameters as its observed equivalent, derived from ideal by altering the axial ratio. (3) BCC quartz with a perfectly body-centered cubic arrangement of oxygen anions and the same volume as its observed equivalent. Comparison of experimental data recorded in the literature for quartz with these hypothetical crystal structures shows that quartz becomes more ideal as temperature increases, more BCC as pressure increases, and that model quartz is a very good representation of observed quartz under all conditions. This is consistent with the hypothesis that quartz compresses through Si-O-Si angle-bending, which is resisted by anion-anion repulsion resulting in increasing distortion of the c/a axial ratio from ideal as temperature decreases and/or pressure increases.

58 GEOSCIENCES↗
DOE OSTI2020

Investigation of finite-volume methods to capture shocks and turbulence spectra in compressible flows

The aim of the present paper is to provide a comparison between several finite-volume methods of different numerical accuracy: the second-order Godunov method with PPM interpolation and the high-order finite-volume WENO method. In this work, the results show that while on a smooth problem the high-order method performs better than the second-order one, when the solution contains a shock all the methods collapse to first-order accuracy. In the context of the decay of compressible homogeneous isotropic turbulence with shocklets, the actual overall order of accuracy of the methods reduces to second-order, despite the use of fifth-order reconstruction schemes at cell interfaces. Most important, results in terms of turbulent spectra are similar regardless of the numerical methods employed, except that the PPM method fails to provide an accurate representation in the high-frequency range of the spectra. It is found that this specific issue comes from the slope-limiting procedure and a novel hybrid PPM/WENO method is developed that has the ability to capture the turbulent spectra with the accuracy of a high-order method, but at the cost of the second-order Godunov method. Overall, it is shown that virtually the same physical solution can be obtained much faster by refining a simulation with the second-order method and carefully chosen numerical procedures, rather than running a coarse high-order simulation. Our results demonstrate the importance of evaluating the accuracy of a numerical method in terms of its actual spectral dissipation and dispersion properties on mixed smooth/shock cases, rather than by the theoretical formal order of convergence rate.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2010

Flue Gas Perification Utilizing SOx/NOx Reactions During Compression of CO2 Derived from Oxyfuel Combustion

The United States wishes to decrease foreign energy dependence by utilizing the country’s significant coal reserves, while stemming the effects of global warming from greenhouse gases. In response to these needs, Air Products has developed a patented process for the compression and purification of the CO2 stream from oxyfuel combustion of pulverized coal. The purpose of this project was the development and performance of a comprehensive experimental and engineering evaluation to determine the feasibility of purifying CO2 derived from the flue gas generated in a tangentially fired coal combustion unit operated in the oxy-combustion mode. Following the design and construction of a 15 bar reactor system, Air Products conducted two test campaigns using the slip stream from the tangentially fired oxy-coal combustion unit. During the first test campaign, Air Products evaluated the reactor performance based on both the liquid and gaseous reactor effluents. The data obtained from the test run has enabled Air Products to determine the reaction and mass transfer rates, as well as the effectiveness of the reactor system. During the second test campaign, Air Products evaluated reactor performance based on effluents for different reactor pressures, as well as water recycle rates. Analysis of the reaction equations indicates that both pressure and water flow rate affect the process reaction rates, as well as the overall reactor performance.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2012

Lessons from Iowa: Development of a 270 Megawatt Compressed Air Energy Storage Project in Midwest Independent System Operator

The Iowa Stored Energy Park was an innovative, 270 Megawatt, $400 million compressed air energy storage (CAES) project proposed for in-service near Des Moines, Iowa, in 2015. After eight years in development the project was terminated because of site geological limitations. However, much was learned in the development process regarding what it takes to do a utility-scale, bulk energy storage facility and coordinate it with regional renewable wind energy resources in an Independent System Operator (ISO) marketplace. Lessons include the costs and long-term economics of a CAES facility compared to conventional natural gas-fired generation alternatives; market, legislative, and contract issues related to enabling energy storage in an ISO market; the importance of due diligence in project management; and community relations and marketing for siting of large energy projects. Although many of the lessons relate to CAES applications in particular, most of the lessons learned are independent of site location or geology, or even the particular energy storage technology involved.

25 ENERGY STORAGE↗
DOE OSTI2013

Gravity Gradiometry: A Novel Application for Compressed Sensing

During the past decade, compressed sensing (CS) has proven to be extremely useful for sparse signal reconstruction. Here the method of CS is applied to fast mass distribution determination based on cold atom gravity gradiometer measurements. Specifically we consider an array of M gradiometers placed around a 2D target area in order to determine the interior mass distribution in cases where the set of (M) sensor measurements under samples the distribution. This was done by assuming that the system’s sparsity comes from the mass distributions only having K non-zero masses, which led to a non-orthogonal basis dictionary. This lack of orthogonality caused interesting behaviors, including weakened noise performance, and breaking of the typical CS motivated logarithmic scaling of required M values for larger K values. However, for low K values M scaled as expected. Modifications to the gravity sensor model to promote orthogonality and test its impact on signal recovery postponed the onset of anomalous scaling; suggesting that lack of orthogonality is the primary cause. While CS works for this sparse, but intrinsically ill-posed problem, this sensor system displayed increased noise sensitivity and a smaller upper bound on the size of recoverable K sets. However, while these limitations decrease CS performance, significant improvements over traditional sensing approaches are still possible.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Costs Associated With Compressed Natural Gas Vehicle Fueling Infrastructure

This document is designed to help fleets understand the cost factors associated with fueling infrastructure for compressed natural gas (CNG) vehicles. It provides estimated cost ranges for various sizes and types of CNG fueling stations and an overview of factors that contribute to the total cost of an installed station. The information presented is based on input from professionals in the natural gas industry who design, sell equipment for, and/or own and operate CNG stations.

03 NATURAL GAS↗
DOE OSTI2015

Elastic-Waveform Inversion with Compressive Sensing for Sparse Seismic Data

Accurate velocity models of compressional- and shear-waves are essential for geothermal reservoir characterization and microseismic imaging. Elastic-waveform inversion of multi-component seismic data can provide high-resolution inversion results of subsurface geophysical properties. However, the method requires seismic data acquired using dense source and receiver arrays. In practice, seismic sources and/or geophones are often sparsely distributed on the surface and/or in a borehole, such as 3D vertical seismic profiling (VSP) surveys. We develop a novel elastic-waveform inversion method with compressive sensing for inversion of sparse seismic data. We employ an alternating-minimization algorithm to solve the optimization problem of our new waveform inversion method. We validate our new method using synthetic VSP data for a geophysical model built using geologic features found at the Raft River enhanced-geothermal-system (EGS) field. We apply our method to synthetic VSP data with a sparse source array and compare the results with those obtained with a dense source array. Our numerical results demonstrate that the velocity models produced with our new method using a sparse source array are almost as accurate as those obtained using a dense source array.

58 GEOSCIENCES↗
DOE OSTI2015

Building a Business Case for Compressed Natural Gas in Fleet Applications

Natural gas is a clean-burning, abundant, and domestically produced source of energy. Compressed natural gas (CNG) has recently garnered interest as a transportation fuel because of these attributes and because of its cost savings and price stability compared to conventional petroleum fuels. The National Renewable Energy Laboratory (NREL) developed the Vehicle Infrastructure and Cash-Flow Evaluation (VICE) model to help businesses and fleets evaluate the financial soundness of CNG vehicle and CNG fueling infrastructure projects.

03 NATURAL GAS↗
DOE OSTI2015

Symmetries of the Euler compressible flow equations for general equation of state

The Euler compressible flow equations exhibit different Lie symmetries depending on the equation of state (EOS) of the medium in which the flow occurs. This means that, in general, different types of similarity solution will be available in different flow media. We present a comprehensive classification of all EOS’s to which the Euler equations apply, based on the Lie symmetries admitted by the corresponding flow equations, restricting to the case of 1-D planar, cylindrical, or spherical geometry. The results are conveniently summarized in tables. This analysis also clarifies past work by Axford and Ovsiannikov on symmetry classification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Uniaxial Compression of Cellular Materials at a 10 -1 s -1 Strain Rate Simultaneously with Synchrotron X-ray Computed Tomographic Imaging

The topic is presented as a series of slides. Motivation for the work included the following: X-ray tomography is a fantastic technique for characterizing a material’s starting structure as well as for non-destructive, in situ experiments to investigate material response; 3D X-ray tomography is needed to fully characterize the morphology of cellular materials; and synchrotron micro-CT can capture 3D images without pausing experiment. Among the conclusions reached are these: High-rate radiographic and tomographic imaging (0.25 s 3D frame rate) using synchrotron CT can capture full 3D images of hyper-elastic materials at a 10 -2 strain rate; dynamic true in situ uniaxial loading can be accurately captured; the three stages of compression can be imaged: bending, buckling, and breaking; implementation of linear modeling is completed; meshes have been imported into LANL modeling codes--testing and validation is underway and direct comparison and validation between in situ data and modeled mechanical response is possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗