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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 487 records · Page 27

All sources NASA NTRS DOE OSTI

DOE OSTI2017

Parallel Multi-cycle LES of an Optical Pent-roof DISI Engine Under Motored Operating Conditions

The use of Large-eddy Simulations (LES) has increased due to their ability to resolve the turbulent fluctuations of engine flows and capture the resulting cycle-to-cycle variability. One drawback of LES, however, is the requirement to run multiple engine cycles to obtain the necessary cycle statistics for full validation. The standard method to obtain the cycles by running a single simulation through many engine cycles sequentially can take a long time to complete. Recently, a new strategy has been proposed by our research group to reduce the amount of time necessary to simulate the many engine cycles by running individual engine cycle simulations in parallel. With modern large computing systems this has the potential to reduce the amount of time necessary for a full set of simulated engine cycles to finish by up to an order of magnitude. In this paper, the Parallel Perturbation Methodology (PPM) is used to simulate up to 35 engine cycles of an optically accessible, pent-roof Directinjection Spark-ignition (DISI) engine at two different motored engine operating conditions, one throttled and one un-throttled. Comparisons are made against corresponding sequential-cycle simulations to verify the similarity of results using either methodology. Mean results from the PPM approach are very similar to sequential-cycle results with less than 0.5% difference in pressure and a magnitude structure index (MSI) of 0.95. Differences in cycle-to-cycle variability (CCV) predictions are larger, but close to the statistical uncertainty in the measurement for the number of cycles simulated. PPM LES results were also compared against experimental data. Mean quantities such as pressure or mean velocities were typically matched to within 5- 10%. Pressure CCVs were under-predicted, mostly due to the lack of any perturbations in the pressure boundary conditions between cycles. Velocity CCVs for the simulations had the same average magnitude as experiments, but the experimental data showed greater spatial variation in the root-mean-square (RMS). Conversely, circular standard deviation results showed greater repeatability of the flow directionality and swirl vortex positioning than the simulations.

I.C. Engines↗

DOE OSTI2022

Strategies for conformal REBCO windings

A high-field winding can be fabricated from a cable of non-insulated REBCO tapes stacked face-to-face without twisting. If the cable is oriented within each turn of a winding so that the tape face is closely parallel to the magnetic field at its location, the supercurrent capacity of that cable is enhanced ~3x greater than in a transverse or twisting orientation. This concept for a conformal winding was presented in a previous paper pertinent to the body winding of a REBCO based high-field dipole. Strategies are presented and simulated for how the same orientation can be sustained in the flared ends of a high-field hybrid dipole.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Bioresorbable Primary Battery Anodes Built on Core–Double-Shell Zinc Microparticle Networks

Bioresorbable implantable electronics require power sources that are also bioresorbable with controllable electrical output and lifetime. In this paper, we report a bioresorbable zinc primary battery anode filament based on a zinc microparticle (MP) network coated with chitosan and Al 2 O 3 double shells. When discharged in 0.9% NaCl saline, a Zn MP filament with a 0.17 × 2 mm 2 cross-sectional area exhibited a stable voltage output of 0.55 V at a current of 0.01 mA. Covered by chitosan and Al 2 O 3 double shells, the zinc MP filament exhibited a directional dissolution behavior with a tunable lifetime approximately linear to its length. A stable 200 h discharging time was achieved with a 15 mm Zn MP filament. The maximum output power was found to be 12 μW at 0.03 mA for one filament. The linearity relationship between the current output and the filament cross-sectional area suggested a facile strategy to raise the power output at constant discharging voltage. The filaments could also be connected in series and in parallel to boost its overall voltage and current output, demonstrating their excellent integration capability. Furthermore, this work presents a promising pathway toward bioresorbable transient batteries with controllable lifetime and power output, demonstrating a great potential for powering transient implantable biomedical devices.

25 ENERGY STORAGE↗

DOE OSTI2012

THE PANCHROMATIC HUBBLE ANDROMEDA TREASURY

The Panchromatic Hubble Andromeda Treasury is an ongoing Hubble Space Telescope Multi-Cycle Treasury program to image {approx}1/3 of M31's star-forming disk in six filters, spanning from the ultraviolet (UV) to the near-infrared (NIR). We use the Wide Field Camera 3 (WFC3) and Advanced Camera for Surveys (ACS) to resolve the galaxy into millions of individual stars with projected radii from 0 to 20 kpc. The full survey will cover a contiguous 0.5 deg{sup 2}area in 828 orbits. Imaging is being obtained in the F275W and F336W filters on the WFC3/UVIS camera, F475W and F814W on ACS/WFC, and F110W and F160W on WFC3/IR. The resulting wavelength coverage gives excellent constraints on stellar temperature, bolometric luminosity, and extinction for most spectral types. The data produce photometry with a signal-to-noise ratio of 4 at m{sub F275W} = 25.1, m{sub F336W} = 24.9, m{sub F475W} = 27.9, m{sub F814W} = 27.1, m{sub F110W} = 25.5, and m{sub F160W} = 24.6 for single pointings in the uncrowded outer disk; in the inner disk, however, the optical and NIR data are crowding limited, and the deepest reliable magnitudes are up to 5 mag brighter. Observations are carried out in two orbits per pointing, split between WFC3/UVIS and WFC3/IR cameras in primary mode, with ACS/WFC run in parallel. All pointings are dithered to produce Nyquist-sampled images in F475W, F814W, and F160W. We describe the observing strategy, photometry, astrometry, and data products available for the survey, along with extensive testing of photometric stability, crowding errors, spatially dependent photometric biases, and telescope pointing control. We also report on initial fits to the structure of M31's disk, derived from the density of red giant branch stars, in a way that is independent of assumed mass-to-light ratios and is robust to variations in dust extinction. These fits also show that the 10 kpc ring is not just a region of enhanced recent star formation, but is instead a dynamical structure containing a significant overdensity of stars with ages >1 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

AdaParse

SF-25-127AdaParse (Adaptive Parallel PDF Parsing and Resource Scaling Engine) enables scalable, high-accuracy PDF parsing. AdaParse is a data-driven strategy that assigns an appropriate parser to each document, offering high accuracy for any computational budget. Moreover, it offers a workflow of various PDF parsing software that includes extraction tools: PyMuPDF, pypdf traditional OCR: Tesseract, modern OCR (e.g., Vision Transformers): Nougat and Marker

Siebenschuh, Carlo↗

NASA NTRS1985

Multiprocessor sparse L/U decomposition with controlled fill-in

Generation of the maximal compatibles of pivot elements for a class of small sparse matrices is studied. The algorithm involves a binary tree search and has a complexity exponential in the order of the matrix. Different strategies for selection of a set of compatible pivots based on the Markowitz criterion are investigated. The competing issues of parallelism and fill-in generation are studied and results are provided. A technque for obtaining an ordered compatible set directly from the ordered incompatible table is given. This technique generates a set of compatible pivots with the property of generating few fills. A new hueristic algorithm is then proposed that combines the idea of an ordered compatible set with a limited binary tree search to generate several sets of compatible pivots in linear time. Finally, an elimination set to reduce the matrix is selected. Parameters are suggested to obtain a balance between parallelism and fill-ins. Results of applying the proposed algorithms on several large application matrices are presented and analyzed.

Alaghband, G.↗

NASA NTRS1993

Application of compiler-assisted multiple instruction rollback recovery to speculative execution

Speculative execution is a method to increase instruction level parallelism which can be exploited by both super-scalar and VLIW architectures. The key to a successful general speculation strategy is a repair mechanism to handle mispredicted branches and accurate reporting of exceptions for speculated instructions. Multiple instruction rollback is a technique developed for recovery from transient processor failure. Many of the difficulties encountered during recovery from branch misprediction or from instruction re-execution due to exception in a speculative execution architecture are similar to those encountered during multiple instruction rollback. The applicability of a recently developed compiler-assisted multiple instruction rollback scheme to aid in speculative execution repair is investigated. Extensions to the compiler-assisted scheme to support branch and exception repair are presented along with performance measurements across ten application programs.

Alewine, N. J.↗

NASA NTRS1993

Application of compiler-assisted multiple instruction rollback recovery to speculative execution

Alewine, N. J.↗

DOE OSTI2023

Nanoparticle Surface Passivation Strategies to Improve the Cycle and Calendar Lifetime of Silicon Anodes in Standard Carbonate Electrolytes

Silicon Lithium alloys (SiLix) as the anode active material in a Li-Ion battery configuration offer possible energy densities paralleled only by pure lithium metal. However, the extreme mechanical deformation of alloying and dealloying SiLix through charge/discharge cycles paired with the highly reactive interface of SiLix which generates an interfacial layer known as the solid-electrolyte-interphase are large barriers to industrial adoption of high-silicon-content negative electrodes. Moreover, these challenges are magnified when the thickness of the electrode is brought to relevant levels (>3 mg/cm2). Here, I describe our efforts to address these challenges by utilizing single-nanometer-scale silicon nanoparticles to reduce capacity fade related to mechanical failure. I also detail our efforts to modify the silicon surface through interfacial chemical engineering strategies to passivate the silicon surface. This development three different majority silicon electrodes (50-74 wt%) to achieve cycle capacity retention of greater than 73% through 1000 charge/discharge cycles against capacity-matched NMC-based cathodes and calendar lifetimes greater than one year. This research is a part of the multi-national lab Silicon Consortium Project.

anodes↗

DOE OSTI2022

A massively parallel time-domain coupled electrodynamics–micromagnetics solver

We present a high-performance coupled electrodynamics–micromagnetics solver for full physical modeling of signals in microelectronic circuitry. The overall strategy couples a finite-difference time-domain approach for Maxwell’s equations to a magnetization model described by the Landau–Lifshitz–Gilbert equation. The algorithm is implemented in the Exascale Computing Project software framework, AMReX, which provides effective scalability on manycore and GPU-based supercomputing architectures. Furthermore, the code leverages ongoing developments of the Exascale Application Code, WarpX, which is primarily being developed for plasma wakefield accelerator modeling. Our temporal coupling scheme provides second-order accuracy in space and time by combining the integration steps for the magnetic field and magnetization into an iterative sub-step that includes a trapezoidal temporal discretization for the magnetization. The performance of the algorithm is demonstrated by the excellent scaling results on NERSC multicore and GPU systems, with a significant (59×) speedup on the GPU using a node-by-node comparison. We demonstrate the utility of our code by performing simulations of an electromagnetic waveguide and a magnetically tunable filter.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Parallel deterministic transport sweeps of structured and unstructured meshes with overloaded mesh decompositions

Here, the efficiency of discrete ordinates transport sweeps depends on the scheduling algorithm, the domain decomposition, the problem to be solved, and the computational platform. Sweep scheduling algorithms may be categorized by their approach to several issues. In this paper we examine the strategy of domain overloading for mesh partitioning as one of the components of such algorithms. In particular, we extend the domain overloading strategy, previously defined and analyzed for structured meshes, to the general case of unstructured meshes. We also present computational results for both the structured and unstructured domain overloading cases. We find that an appropriate amount of domain overloading can greatly improve the efficiency of parallel sweeps for both structured and unstructured partitionings of the test problems examined on up to 10 5 processor cores.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Partitioning and Communication Strategies for Sparse Non-negative Matrix Factorization

Non-negative matrix factorization (NMF), the problem of finding two non-negative low-rank factors whose product approximates an input matrix, is a useful tool for many data mining and scientific applications such as topic modeling in text mining and unmixing in microscopy. In this paper, we focus on scaling algorithms for NMF to very large sparse datasets and massively parallel machines by employing effective algorithms, communication patterns, and partitioning schemes that leverage the sparsity of the input matrix. We consider two previous works developed for related problems, one that uses a fine-grained partitioning strategy using a point-to-point communication pattern and one that uses a Cartesian, or checkerboard, partitioning strategy using a collective-based communication pattern. We show that a combination of the previous approaches balances the demands of the various computations within NMF algorithms and achieves high efficiency and scalability. From the experiments, we see that our proposed strategy runs up to 10x faster than the state of the art on real-world datasets.

Kaya, Oguz↗

DOE OSTI2020

Efficient solvers for hybridized three-field mixed finite element coupled poromechanics

We consider a mixed hybrid finite element formulation for coupled poromechanics. A stabilization strategy based on a macro-element approach is advanced to eliminate the spurious pressure modes appearing in undrained/incompressible conditions. The efficient solution of the stabilized mixed hybrid block system is addressed by developing a class of block triangular preconditioners based on a Schur-complement approximation strategy. Robustness, computational efficiency and scalability of the proposed approach are theoretically discussed and tested using challenging benchmark problems on massively parallel architectures.

42 ENGINEERING↗

DOE OSTI2017

Comprehensive End-to-End Design of Novel High Energy Density Materials: I. Synthesis and Characterization of Oxadiazole Based Heterocycles

A methodology to design novel energetic materials by means of a holistic approach that links synthesis, experimental characterization, quantum-chemical modeling, and statistical empirical evaluation is proposed. An analysis of the revealed structure–property–function correlations in the LLM compound series (oxadiazole-based heterocyclic energetics), BNFF, BNFF-1, LLM-172, LLM-191, and LLM-192, led us to predict, obtain, and characterize a new member in the materials family, LLM-200, which exhibits attractive energetic characteristics compared to known conventional high energy density materials. Finally, while the applied strategy convincingly demonstrated feasibility of the end-to-end design of high energy density materials, there are certain limitations in parallel improvements of sensitivity and performance within a single compound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Supramolecular Assemblies on Surfaces: Nanopatterning, Functionality, and Reactivity

Understanding how molecules interact to form large-scale hierarchical structures on surfaces holds promise for building designer nanoscale constructs with defined chemical and physical properties. Here, we describe early advances in this field and highlight upcoming opportunities and challenges. Both direct intermolecular interactions and those that are mediated by coordinated metal centers or substrates are discussed. These interactions can be additive, but they can also interfere with each other, leading to new assemblies in which electrical potentials vary at distances much larger than those of typical chemical interactions. Earlier spectroscopic and surface measurements have provided partial information on such interfacial effects. In the interim, scanning probe microscopies have assumed defining roles in the field of molecular organization on surfaces, delivering deeper understanding of interactions, structures, and local potentials. Furthermore, self-assembly is a key strategy to form extended structures on surfaces, advancing nanolithography into the chemical dimension and providing simultaneous control at multiple scales. In parallel, the emergence of graphene and the resulting impetus to explore 2D materials have broadened the field, as surface-confined reactions of molecular building blocks provide access to such materials as 2D polymers and graphene nanoribbons. In this Review, we describe recent advances and point out promising directions that will lead to even greater and more robust capabilities to exploit designer surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Visualizing group II intron dynamics between the first and second steps of splicing

Group II introns are ubiquitous self-splicing ribozymes and retrotransposable elements evolutionarily and chemically related to the eukaryotic spliceosome, with potential applications as gene-editing tools. Recent biochemical and structural data have captured the intron in multiple conformations at different stages of catalysis. Here, we employ enzymatic assays, X-ray crystallography, and molecular simulations to resolve the spatiotemporal location and function of conformational changes occurring between the first and the second step of splicing. We show that the first residue of the highly-conserved catalytic triad is protonated upon 5’-splice-site scission, promoting a reversible structural rearrangement of the active site (toggling). Protonation and active site dynamics induced by the first step of splicing facilitate the progression to the second step. Our insights into the mechanism of group II intron splicing parallels functional data on the spliceosome, thus reinforcing the notion that these evolutionarily-related molecular machines share the same enzymatic strategy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Runtime Concurrency Control and Operation Scheduling for High Performance Neural Network Training

In this paper, we extend an existing runtime system (the TensorFlow runtime) to enable automatic concurrency control and scheduling of operations. We explore performance modeling to predict the performance of operations with various thread- level parallelism. Our performance model is highly accurate and lightweight. Leveraging the performance model, our runtime system employs a set of scheduling strategies that co-run opera- tions to improve hardware utilization and system throughput. Our runtime system demonstrates a significant performance benefit. Comparing with using the recommended configurations for concurrency control and operation scheduling in TensorFlow, our approach achieves 36% performance (execution time) im- provement on average (up to 49%) for four neural network models, and achieves high performance close to the optimal one manually obtained by the user.

Liu, Jiawen↗

DOE OSTI2018

Parallel dispatch: a new paradigm of electrical power system dispatch

Modern power systems are evolving into sociotechnical systems with massive complexity, whose real-time operation and dispatch go beyond human capability. Thus, the need for developing and applying new intelligent power system dispatch tools are of great practical significance. In this paper, we introduce the overall business model of power system dispatch, the top level design approach of an intelligent dispatch system, and the parallel intelligent technology with its dispatch applications. We expect that a new dispatch paradigm, namely the parallel dispatch, can be established by incorporating various intelligent technologies, especially the parallel intelligent technology, to enable secure operation of complex power grids, extend system operators U+02BC capabilities, suggest optimal dispatch strategies, and to provide decision-making recommendations according to power system operational goals.

24 POWER TRANSMISSION AND DISTRIBUTION↗