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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 901 records · Page 50

Efficient First-Order Algorithms for Large-Scale, Non-Smooth Maximum Entropy Models with Application to Wildfire Science

Maximum entropy (MaxEnt) models are a class of statistical models that use the maximum entropy principle to estimate probability distributions from data. Due to the size of modern data sets, MaxEnt models need efficient optimization algorithms to scale well for big data applications. State-of-the-art algorithms for MaxEnt models, however, were not originally designed to handle big data sets; these algorithms either rely on technical devices that may yield unreliable numerical results, scale poorly, or require smoothness assumptions that many practical MaxEnt models lack. In this paper, we present novel optimization algorithms that overcome the shortcomings of state-of-the-art algorithms for training large-scale, non-smooth MaxEnt models. Our proposed first-order algorithms leverage the Kullback–Leibler divergence to train large-scale and non-smooth MaxEnt models efficiently. For MaxEnt models with discrete probability distribution of n elements built from samples, each containing m features, the stepsize parameter estimation and iterations in our algorithms scale on the order of O(mn) operations and can be trivially parallelized. Moreover, the strong ℓ1 convexity of the Kullback–Leibler divergence allows for larger stepsize parameters, thereby speeding up the convergence rate of our algorithms. To illustrate the efficiency of our novel algorithms, we consider the problem of estimating probabilities of fire occurrences as a function of ecological features in the Western US MTBS-Interagency wildfire data set. Our numerical results show that our algorithms outperform the state of the art by one order of magnitude and yield results that agree with physical models of wildfire occurrence and previous statistical analyses of wildfire drivers.

Physics↗

GR-Athena++: Puncture Evolutions on Vertex-centered Oct-tree Adaptive Mesh Refinement

Numerical relativity is central to the investigation of astrophysical sources in the dynamical and strong-field gravity regime, such as binary black hole and neutron star coalescences. Current challenges set by gravitational-wave and multimessenger astronomy call for highly performant and scalable codes on modern massively parallel architectures. We present GR-Athena++, a general-relativistic, high-order, vertex-centered solver that extends the oct-tree, adaptive mesh refinement capabilities of the astrophysical (radiation) magnetohydrodynamics code Athena++. To simulate dynamical spacetimes, GR-Athena++ uses the Z4c evolution scheme of numerical relativity coupled to the moving puncture gauge. We demonstrate stable and accurate binary black hole merger evolutions via extensive convergence testing, cross-code validation, and verification against state-of-the-art effective-one-body waveforms. GR-Athena++ leverages the task-based parallelism paradigm of Athena++ to achieve excellent scalability. We measure strong-scaling efficiencies above 95% for up to ~1.2 × 10 4 CPUs and excellent weak scaling is shown up to ~10 5 CPUs in a production binary black hole setup with adaptive mesh refinement. GR-Athena++ thus allows for the robust simulation of compact binary coalescences and offers a viable path toward numerical relativity at exascale.

79 ASTRONOMY AND ASTROPHYSICS↗

A study of the compatibility of an existing CFD package with a broader class of material constitutions

The flexibility of the PHOENICS computational fluid dynamics package was assessed along two general avenues; parallel modeling and analog modeling. In parallel modeling the dependent and independent variables retain their identity within some scaling factors, even though the boundary conditions and especially the constitutive relations do not correspond to any realistic fluid dynamic situation. PHOENICS was used to generate a CFD model that should exhibit the physical anomalies of a granular medium and permit reasonable similarity with boundary conditions typical to membrane or porous piston loading. A considerable portion of the study was spent prying into the existing code with a prejudice toward rate type and disarming any inherent fluid behavior. The final stages of the study were directed at the more specific problem of multiaxis loading of cylindrical geometry with a concern for the appearance of bulging, cross slab shear failure modes.

French, K. W., Jr.↗

Analysis of Jovian decametric data: Study of radio emission mechanisms

Data gathered by the Voyager 1 and Voyager 2 Planetary Radio Astronomy Experiments (PRA) are unique in many ways including their frequency range, time resolution, polarization information and geometric characteristics. Studies of rapidly varying phenomena have thus far been hampered by paper display techniques which require large amounts of paper to exploit the full PRA time resolution. A software package capable of effectively displaying full 6s resolution PRA dynamic spectra on a high quality video monitor while compensating for the aforementioned variations was developed. The most striking phenomena revealed by the new display techniques is called Modulated Spectral Activity (MSA) because of its appearance in dynamic spectra as a series at least two parallel emission bands which drift back and forth in frequency on time scales of tens of seconds. In an attempt to locate and understand the MSA source mechanism, a catalogue has been compiled of the start and end of all known MSA events.

Staelin, D. H.↗

Thermal stability analysis of the fine structure of solar prominences

The linear thermal stability of a 2D periodic structure (alternatively hot and cold) in a uniform magnetic field is analyzed. The energy equation includes wave heating (assumed proportional to density), radiative cooling and both conduction parallel and orthogonal to magnetic lines. The equilibrium is perturbed at constant gas pressure. With parallel conduction only, it is found to be unstable when the length scale 1// is greater than 45 Mn. In that case, orthogonal conduction becomes important and stabilizes the structure when the length scale is smaller than 5 km. On the other hand, when the length scale is greater than 5 km, the thermal equilibrium is unstable, and the corresponding time scale is about 10,000 s: this result may be compared to observations showing that the lifetime of the fine structure of solar prominences is about one hour; consequently, our computations suggest that the size of the unresolved threads could be of the order of 10 km only.

Demoulin, Pascal↗

X-ray mirror assessment with optical light

The imaging capability of a thin foil X-ray mirror has been examined with optical light, using a laser beam and a wide optical parallel beam. These measurements reveal that: (1) image broadening due to millimeter scale waviness (orange peel) of the aluminum substrate, partly intrinsic to the foil and partly caused during the foil treatment, is 1.2-min of arc half-power diameter (HPD) in two reflections; (2) slope errors due to foil shaping and misalignment cause broadening of 1.6-2.0-min of arc HPD; and (3) total broadening is about 3-min of arc HPD, which is consistent with the broadening of 2.6-min of arc HPD measured with X rays.

Kunieda, Hideyo↗

A model of the 8-25 micron point source infrared sky

A model is developed that permits the representation of the Galactic disk and bulge, the molecular ring, extragalactic sky, and other Galactic structures in terms of the IR point-source sky. Full characterization is achieved for up to 87 types of Galactic sources in terms of scale heights and absolute magnitudes, and the model is guided by a parallel Monte Carlo simulation of the Galaxy at 12 microns. The model predicts differential and cumulative IR source counts for all bandpasses in the IRAS ranges and can therefore be employed to predict the character of the point-source sky related to IR space observations.

Wainscoat, Richard J.↗

Mean free paths of energetic particles at very large heliodistances (Pioneer 11 at 20 AU)

The parallel mean free path and the diffusion coefficient parallel to the magnetic field line are derived from magnetic field data at 20 AU to characterize heliospheric modulation and energetic-particle/magnetic-field interaction. The computational method of Moussas et al. (1975, 1982) is employed, and the values of the parallel mean free path are shown to be significantly larger than the values estimated in studies of up to 6 AU. The distance dependence of the parallel diffusion mean free path is found to follow a power law, and the diffusion coefficient dependence upon energy is determined by a constant mean free path and the velocity of the particle. The contribution of the diffusion coefficient perpendicular to the magnetic field is expected to dominate the radial diffusion coefficient of cosmic rays, although the contribution of the diffusion parallel to the field is important with respect to the small-scale structure of intensity gradients.

Moussas, X.↗

On the High- and Low- Altitude Limits of the Auroral Electric Field Region

Using measurements from the High Altitude Plasma Instrument (HAPI) on the Dynamics-Explorer 1 (DE-1) spacecraft and the Low Altitude Plasma Instrument (LAPI) on Dynamics Explorer 2 (DE 2), we investigate both die high altitude and low altitude extents of the auroral acceleration region. To infer the high altitude limit, we searched the HAPI data base for evidence of upward-directed auroral electric fields located above the spacecraft when the HAPI spacecraft is above 9000 km altitude. We find that such acceleration is common when DE-1 flies through die auroral oval at an altitude of 9,000-11,000 km. At altitudes above 11,000 km, the fraction of the orbits with evidence of at least a 1000 V potential drop above the spacecraft falls, becoming essentially zero above an altitude of 15,000 km. Above that altitude, small (100 V) potential drops are frequently observed, but only rarely are approx. 1 kV potentials observed, typically associated with polar cap or 'theta' arcs or westward traveling surges. To investigate the low-altitude limit of the auroral acceleration region, we use conjunctions of DE 1 and DE 2 along auroral field lines and match the upgoing fluxes of ionospheric ions observed by DE 2 with the flux of accelerated upgoing ions observed at DE 1. Calculating the ionospheric scale height from the ion and electron temperatures and assuming that the parallel flow velocity is independent of height above 800 km, we calculate the altitude at which the upwelling ionospheric ions are effectively completely lost to upward acceleration. The initial lowest-altitude acceleration process could be either a perpendicular acceleration or a parallel electric field, but it must be sufficient to give the entire distribution escape energy. We find that in the two cases studied, near the region of peak auroral potential drop the altitude of this acceleration was around 1700 km (near the O/H neutral crossover altitude), but was significantly higher (approx. 2000 km) near the edges of the arc, where the potential was lower. The composition of the upgoing ion beam was consistent with these heights, being predominately H(+) near the edges and O(+) near the peak.

Reiff, P. H.↗

Can Water-Injected Turbomachines Provide Cost-Effective Emissions and Maintenance Reductions?

An investigation has been performed to evaluate the effect of water injection on the performance of the Air Force Research Laboratory (AFRL, Wright-Patterson Air Force Base (WPAFB)) experimental trapped vortex combustor (TVC) over a range of fuel-to-air and water-to-fuel ratios. Performance is characterized by combustor exit quantities: temperature and emissions measurements using rakes, and overall pressure drop, from upstream plenum to combustor exit. Combustor visualization is performed using gray-scale and color still photographs and high-frame-rate videos. A parallel investigation evaluated the performance of a computational fluid dynamics (CFD) tool for the prediction of the reacting flow in a liquid fueled combustor (e.g., TVC) that uses water injection for control of pollutant emissions and turbine inlet temperature. Generally, reasonable agreement is found between data and NO(x) computations. Based on a study assessing the feasibility and performance impact of using water injection on a Boeing 747-400 aircraft to reduce NO(x) emissions during takeoff, retrofitting does not appear to be cost effective; however, an operator of a newly designed engine and airframe might be able to save up to 1.0 percent in operating costs. Other challenges of water injection will be discussed.

Hendricks, Robert C.↗

MMS Examination of FTEs at the Earth's Subsolar Magnetopause

Determining the magnetic field structure, electric currents, and plasma distributions within flux transfer event (FTE)-type flux ropes is critical to the understanding of their origin, evolution, and dynamics. Here the Magnetospheric Multiscale mission's high-resolution magnetic field and plasma measurements are used to identify FTEs in the vicinity of the subsolar magnetopause. The constant-alpha flux rope model is used to identify quasi-force free flux ropes and to infer the size, the core magnetic field strength, the magnetic flux content, and the spacecraft trajectories through these structures. Our statistical analysis determines a mean diameter of 1,700 ± 400 km (~30 ± 9 d(sub i)) and an average magnetic flux content of 100 ± 30 kWb for the quasi-force free FTEs at the Earth's subsolar magnetopause which are smaller than values reported by Cluster at high latitudes. These observed nonlinear size and magnetic flux content distributions of FTEs appear consistent with the plasmoid instability theory, which relies on the merging of neighboring, small-scale FTEs to generate larger structures. The ratio of the perpendicular to parallel components of current density, R(sub J), indicates that our FTEs are magnetically force-free, defined as R(sub J) < 1, in their core regions (<0.6 R(sub flux rope)). Plasma density is shown to be larger in smaller, newly formed FTEs and dropping with increasing FTE size. It is also shown that parallel ion velocity dominates inside FTEs with largest plasma density. Field-aligned flow facilitates the evacuation of plasma inside newly formed FTEs, while their core magnetic field strengthens with increasing FTE size.

Akhavan-Tafti, M.↗

HEP Software Foundation Community White Paper Working Group - Data Processing Frameworks

Data processing frameworks are an essential part of HEP experiments' software stacks. Frameworks provide a means by which code developers can undertake the essential tasks of physics data processing, accessing relevant inputs and storing their outputs, in a coherent way without needing to know the details of other domains. Frameworks provide essential core services for developers and help deliver a configurable working application to the experiments' production systems. Modern HEP processing frameworks are in the process of adapting to a new computing landscape dominated by parallel processing and heterogeneity, which pose many questions regarding enhanced functionality and scaling that must be faced without compromising the maintainability of the code. In this paper we identify a program of work that can help further clarify the key concepts of frameworks for HEP and then spawn R&D activities that can focus the community's efforts in the most efficient manner to address the challenges of the upcoming experimental program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CEAZ: Accelerating Parallel I/O Via Hardware-Algorithm Co-Designed Adaptive Lossy Compression

As supercomputers continue to grow to exa-scale, the amount of data that needs to be saved or transmitted is exploding. To this end, many previous works have studied using error-bounded lossy compressors to reduce the data size and improve the I/O performance. However, little work has been done for effectively offloading lossy compression onto FPGA-based SmartNICs to reduce the compression overhead. In this paper, we propose a hardware-algorithm co-design of efficient and adaptive lossy compressor for scientific data on FPGAs (called CEAZ) to accelerate parallel I/O. Our contribution is fourfold: (1) We propose an efficient Huffman coding approach that can adaptively update Huffman codewords online based on codewords generated offline (from a variety of representative scientific datasets). (2) We derive a theoretical analysis to support a precise control of compression ratio under an error-bounded compression mode, enabling accurate offline Huffman codewords generation. This also help us create a fixed-ratio compression mode for consistent throughput. (3) We develop an efficient compression pipeline by adopting cuSZ’s dual-quantization algorithm to our hardware use case. (4) We evaluate CEAC on five real-world datasets with both a single FPGA board and 256 nodes from Bridges2 supercomputer. Experiments show that CEAZ outperforms the second-best FPGA-based lossy compressor by 2× of throughput and 9.6× of compression ratio. It also improves MPI_File_write and MPI_Gather throughputs by up to 32.7× and 31.4×, respectively.

Zhang, Chengming↗

Parallel Asynchronous Distributed-Memory Maximal Independent Set Algorithm with Work Ordering

The maximal independent set (MIS) graph problem arises in many applications such as computer vision, information theory, molecular biology, and process scheduling. The growing scale of graph data suggests the use of distributed memory hardware as a cost-effective approach to providing necessary compute and memory resources. Existing distributed memory parallel MIS algorithms rely on synchronous communication and use techniques such as subgraph computations. In this paper, we present an asynchronous distributed-memory parallel graph algorithm that relies on a virtual directed acyclic graph (DAG) that is created during the algorithm execution. We introduce two additional algorithms that save computations by ordering generated work. The first algorithm applies ordering globally to reduce computations, and the second algorithm applies ordering locally at the level of threads to minimize the synchronization overhead. We use two different implementations of Luby’s algorithm variants as baseline to compare the performance of the presented algorithms: (1) vertex-centric Luby A and Luby B implementations, and (2) the CombBLAS linear-algebra Luby A implementation. Results show that proposed algorithms outperform both implementations of Luby algorithms, especially in distributed execution. Furthermore, we show that for low-diameter graphs the algorithm that applies global ordering scales better than other algorithms and for high diameter graphs the original asynchronous algorithm and thread-level ordering algorithm show better performance.

maximal independent set (MIS), distributed memory ↗

Climate Ocean Modeling on Parallel Computers

Ocean modeling plays an important role in both understanding the current climatic conditions and predicting future climate change. However, modeling the ocean circulation at various spatial and temporal scales is a very challenging computational task.

partition↗

Asian Monsoons: Variability, Predictability, and Sensitivity to External Forcing

In this study, we have addressed the interannual variations of Asian monsoons including both broad-scale and regional monsoon components. Particular attention is devoted to the identities of the South China Sea monsoon and Indian monsoon. We use CPC Merged Analysis of Precipitation and NCEP reanalyses to define regional monsoon indices and to depict the various monsoons. Parallel modeling studies have also been carried out to assess the potential predictability of the broad-scale and regional monsoons. Each monsoon is characterized by its unique features. While the South Asian monsoon represents a classical monsoon in which anomalous circulation is governed by Rossby-wave dynamics, the Southeast Asian monsoon symbolizes a "hybrid" monsoon that features multi-cellular meridional circulation over eastern Asia. The broad-scale Asian monsoon links to the basin-wide atmospheric circulation over the Indian-Pacific oceans. Both Sea Surface Temperatures (SST) and land surface processes are important for determining the variations of all monsoons. For the broad-scale monsoon, SST anomalies are more important than land surface processes. However, for regional monsoons, land surface processes may become equally important. Both observation and model shows that the broad-scale monsoon is potentially more predictable than regional monsoons, and that the Southeast Asian monsoon may possess higher predictability than the South Asian monsoon.

Yang, Song↗

Scalable Multilevel Uncertainty Quantification Concepts for Extreme-Scale Multiscale Problems

Our work in this project is aimed at making fundamental advances in multilevel and multiscale methods for problems with uncertainties related to flows in porous media. The main thrust of this research is to develop a systematic multiscale, multilevel parallel approaches for problems with uncertainties and use them in the uncertainty quantification. A key emphasis is on problems without an apparent scale separation in space, time, and uncertainty spaces. Multiscale solution methods are currently under active investigation. However, the develop- ment of multiscale methods for problems with uncertainties where the scales and uncertainties are tightly coupled is a research area that is less explored. During this project, we have made some significant contributions to the developments of multiscale methods, the uncertainty quantification for multiscale methods, multiscale model learning, uncertainty quantification in inverse problems, and applications.

97 MATHEMATICS AND COMPUTING↗

Assembly and Analysis of Cell-Scale Membrane Envelopes

The march toward exascale computing will enable routine molecular simulation of larger and more complex systems, for example, simulation of entire viral particles, on the scale of approximately billions of atoms-a simulation size commensurate with a small bacterial cell. Anticipating the future hardware capabilities that will enable this type of research and paralleling advances in experimental structural biology, efforts are currently underway to develop software tools, procedures, and workflows for constructing cell-scale structures. Herein, we describe our efforts in developing and implementing an efficient and robust workflow for construction of cell-scale membrane envelopes and embedding membrane proteins into them. A new approach for construction of massive membrane structures that are stable during the simulations is built on implementing a subtractive assembly technique coupled with the development of a structure concatenation tool (fastmerge), which eliminates overlapping elements based on volumetric criteria rather than adding successive molecules to the simulation system. Using this approach, we have constructed two "protocells" consisting of MARTINI coarse-grained beads to represent cellular membranes, one the size of a cellular organelle and another the size of a small bacterial cell. The membrane envelopes constructed here remain whole during the molecular dynamics simulations performed and exhibit water flux only through specific proteins, demonstrating the success of our methodology in creating tight cell-like membrane compartments. Extended simulations of these cell-scale structures highlight the propensity for nonspecific interactions between adjacent membrane proteins leading to the formation of protein microclusters on the cell surface, an insight uniquely enabled by the scale of the simulations. We anticipate that the experiences and best practices presented here will form the basis for the next generation of cell-scale models, which will begin to address the addition of soluble proteins, nucleic acids, and small molecules essential to the function of a cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗