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At least 667 records · Page 37

On the Efficacy of Source Code Optimizations for Cache-Based Systems

Obtaining high performance without machine-specific tuning is an important goal of scientific application programmers. Since most scientific processing is done on commodity microprocessors with hierarchical memory systems, this goal of "portable performance" can be achieved if a common set of optimization principles is effective for all such systems. It is widely believed, or at least hoped, that portable performance can be realized. The rule of thumb for optimization on hierarchical memory systems is to maximize temporal and spatial locality of memory references by reusing data and minimizing memory access stride. We investigate the effects of a number of optimizations on the performance of three related kernels taken from a computational fluid dynamics application. Timing the kernels on a range of processors, we observe an inconsistent and often counterintuitive impact of the optimizations on performance. In particular, code variations that have a positive impact on one architecture can have a negative impact on another, and variations expected to be unimportant can produce large effects. Moreover, we find that cache miss rates-as reported by a cache simulation tool, and confirmed by hardware counters-only partially explain the results. By contrast, the compiler-generated assembly code provides more insight by revealing the importance of processor-specific instructions and of compiler maturity, both of which strongly, and sometimes unexpectedly, influence performance. We conclude that it is difficult to obtain performance portability on modern cache-based computers, and comment on the implications of this result.

VanderWijngaart, Rob F.↗

Estimating Resolution Lengths of Hybrid Turbulence Models

A two-stage procedure has been devised for estimating the spatial resolution achievable in the simulation of a given flow on a given computational grid by a computational fluid dynamics (CFD) code that incorporates a hybrid model of turbulence. The hybrid models to which this procedure is especially relevant are those of the Reynolds-averaged Navier-Stokes (RANS) and the partial-averaged Navier-Stokes (PANS) approaches. This procedure represents the first step toward adding variable-resolution turbulence-modeling capabilities to CFD codes as part of a continuing effort to increase the accuracy and robustness of CFD simulations of unsteady flows. Some background information is prerequisite to a meaningful summary of the procedure. Among experts in CFD, it is well known that combination of the Reynolds-averaged Navier-Stokes (RANS) approach and eddy-viscosity turbulence models offers limited capability for simulating unsteady and complex flows. The RANS approach includes an assumption that most of the energy in a given flow is modeled through turbulence-transport equations and is resolved in a computational grid used to simulate the flow. RANS also overpredicts eddy viscosity, thereby yielding excessive damping of unsteady motion. The eddy viscosity attains an unphysically large value because of unresolved scales, and suppresses most temporal and spatial fluctuations in the resolved flow field. One approach used to overcome this deficiency is to provide a mechanism for the RANS equations to resolve motion only on the largest scales and to use a hybrid model to represent effects at smaller scales. The RANS approach involves the use of a standard two-equation turbulence model in which the effect of turbulence is summarized by a viscosity that is a function of (1) the time-averaged kinetic- energy density (k) associated with the local fluctuating (turbulent) component of flow and (2) the time-averaged rate of dissipation of the turbulent-kinetic- energy density ( ). In PANS, which was developed to overcome the grid dependency associated with other hybrid turbulence models (including that of RANS), the standard two-equation turbulence model is replaced by another two-equation model in which one solves for the previously unresolved k and , which are now allowed to vary in space and time.

Abdol-Hamid, Khaled S.↗

Rapid, High-Resolution Detection of Environmental Change over Continental Scales from Satellite Data - the Earth Observation Data Cube

The effort and cost required to convert satellite Earth Observation (EO) data into meaningful geophysical variables has prevented the systematic analysis of all available observations. To overcome these problems, we utilise an integrated High Performance Computing and Data environment to rapidly process, restructure and analyse the Australian Landsat data archive. In this approach, the EO data are assigned to a common grid framework that spans the full geospatial and temporal extent of the observations - the EO Data Cube. This approach is pixel-based and incorporates geometric and spectral calibration and quality assurance of each Earth surface reflectance measurement. We demonstrate the utility of the approach with rapid time-series mapping of surface water across the entire Australian continent using 27 years of continuous, 25 m resolution observations. Our preliminary analysis of the Landsat archive shows how the EO Data Cube can effectively liberate high-resolution EO data from their complex sensor-specific data structures and revolutionise our ability to measure environmental change.

Lewis, Adam↗

Temporal Planning for Compilation of Quantum Approximate Optimization Algorithm Circuits

We investigate the application of temporal planners to the problem of compiling quantum circuits to newly emerging quantum hardware. While our approach is general, we focus our initial experiments on Quantum Approximate Optimization Algorithm (QAOA) circuits that have few ordering constraints and allow highly parallel plans. We report on experiments using several temporal planners to compile circuits of various sizes to a realistic hardware. This early empirical evaluation suggests that temporal planning is a viable approach to quantum circuit compilation.

planning↗

Mass Spectrometer Transient Analysis

This software implements a complete preprocessing pipeline for transient mass spectrometry (MS) data collected during TAP (Temporal Analysis of Products) experiments. It is designed to extract chemically meaningful fluxes from overlapping ion signals by applying a calibrated defragmentation matrix and solving the resulting linear system using non-negative least squares (NNLS) regression. The core script, preprocess_mass_spec.py, performs the following operations: Gain correction: Applies amplifier gain scalars derived from inert-packed calibration pulses to normalize signal intensities across AMUs and acquisition settings. Background subtraction: Removes experiment baselines using user-defined time windows, ensuring compatibility with slow-diffusing species and preventing negative values that would interfere with NNLS. Options to subtract before and after defragmentation. Defragmentation: Constructs a fragmentation matrix A from zeroth moments of calibration pulses (equal molar gas:inert mixtures) and solves Ax=b at each time point, where b is the raw MS signal and x is the estimated species flux. The matrix is normalized to inert signals and accounts for instrument-specific fragmentation behavior. Pulse-mode handling: Supports both averaged and individual pulse modes, enabling statistical treatment of fluxes and calculation of standard deviations. Integration and output: Computes zeroth moments (integrated fluxes) and exports time-resolved and integrated data in CSV format, suitable for downstream kinetic modeling. The software is validated using both virtual TAP simulations (VTAP) and experimental data from propane dehydrogenation (PDH) on CrOx/Al2O3 catalysts. It preserves temporal resolution by applying NNLS point-by-point across the pulse duration (typically 6,000+ time slices per pulse), leveraging the linear superposition principle to reconstruct full flux profiles. The defragmented outputs are compatible with kinetic extraction methods such as the G and Y procedures, which are used to derive rate–concentration relationships from TAP data. The details of these validations are discussed in detail in the supporting manuscript and supporting information. Example data and output files are also included. The methodology is robust to experimental noise and drift, with calibration protocols that account for pulse size effects, MS aging, and inert gas normalization. The software is modular, reproducible, and tailored for high-throughput TAP-MS workflows in catalysis research.

Kristy, Stephen [Idaho National Laboratory (INL), ↗

Modeling Macro- and Micro-Scale Turbulent Mixing and Chemistry in Engine Exhaust Plumes

Simulation of turbulent mixing and chemical processes in the near-field plume and plume-vortex regimes has been successfully carried out recently using a reduced gas phase kinetics mechanism which substantially decreased the computational cost. A detailed mechanism including gas phase HOx, NOx, and SOx chemistry between the aircraft exhaust and the ambient air in near-field aircraft plumes is compiled. A reduced mechanism capturing the major chemical pathways is developed. Predictions by the reduced mechanism are found to be in good agreement with those by the detailed mechanism. With the reduced chemistry, the computer CPU time is saved by a factor of more than 3.5 for the near-field plume modeling. Distributions of major chemical species are obtained and analyzed. The computed sensitivities of major species with respect to reaction step are deduced for identification of the dominant gas phase kinetic reaction pathways in the jet plume. Both the near field plume and the plume-vortex regimes were investigated using advanced mixing models. In the near field, a stand-alone mixing model was used to investigate the impact of turbulent mixing on the micro- and macro-scale mixing processes using a reduced reaction kinetics model. The plume-vortex regime was simulated using a large-eddy simulation model. Vortex plume behind Boeing 737 and 747 aircraft was simulated along with relevant kinetics. Many features of the computed flow field show reasonable agreement with data. The entrainment of the engine plumes into the wing tip vortices and also the partial detrainment of the plume were numerically captured. The impact of fluid mechanics on the chemical processes was also studied. Results show that there are significant differences between spatial and temporal simulations especially in the predicted SO3 concentrations. This has important implications for the prediction of sulfuric acid aerosols in the wake and may partly explain the discrepancy between past numerical studies (that employed parabolic or temporal approximations) and the measured data. Finally to address the major uncertainty in the near-field plume modeling related to the plume processing of sulfur compounds and advanced model was developed to evaluate its impact on the chemical processes in the near wake. A comprehensive aerosol model is developed and it is coupled with chemical kinetics and the axisymmetric turbulent jet flow models. The integrated model is used to simulate microphysical processes in the near-field jet plume, including sulfuric acid and water binary homogeneous nucleation, coagulation, non-equilibrium heteromolecular condensation, and sulfur-induced soot activation. The formation and evolution of aerosols are computed and analyzed. The computed results show that a large number of ultra-fine (0.3--0.6 nm in radius) volatile HSO4 - HO embryos are generated in the near-field plume. These embryos further grow in size by self coagulation and condensation. Soot particles can be activated by both heterogeneous nucleation and scavenging of H2SO4-H2O aerosols. These activated soot particles can serve as water condensation nuclei for contrail formation. Conditions under which ice contrails can form behind aircrafts are studied. The sensitivities of the threshold temperature for contrail formation with respect to aircraft propulsion efficiency, relative humidity, and ambient pressure are evaluated. The computed aerosol properties for different extent of fuel sulfur conversion to S(VI) (SO3 and H2SO4) in engine are examined and the results are found to be sensitive to this conversion fraction.

Menon, Suresh↗

Towards the next generation of Geospatial Artificial Intelligence

Geospatial Artificial Intelligence (GeoAI), as the integration of geospatial studies and AI, has become one of the fastest-developing research directions in spatial data science and geography. This rapid change in the field calls for a deeper understanding of the recent developments and envision where the field is going in the near future. In this work, we provide a quantitative analysis of the GeoAI literature from the spatial, temporal, and semantic aspects. We briefly discuss the history of AI and GeoAI by highlighting some pioneering work. Then we discuss the current landscape of GeoAI by selecting five representative subdomains including remote sensing, urban computing, Earth system science, cartography, and geospatial semantics. Finally, we highlight several unique future research directions of GeoAI which are classified into two groups: GeoAI method development challenges and GeoAI Ethics challenges. Topics include heterogeneity-aware GeoAI, knowledge-guided GeoAI, spatial representation learning, geo-foundation models, fairness-aware GeoAI, privacy-aware GeoAI, as well as interpretable and explainable GeoAI. We hope our review of GeoAI’s past, present, and future is comprehensive and can enlighten the next generation of GeoAI research.

58 GEOSCIENCES↗

Wheat productivity estimates using LANDSAT data

The author has identified the following significant results. Objective measurements of percent green wheat cover on May 21 were significantly correlated with yield, as were measurements of green LAI and LANDSAT data. Three data sets from the Finney test site were analyzed from LANDSAT passes on 22 November 1974, 15 April 1975, and 21 May 1975. After mean signal values in each band were computed for each sufficiently large wheat field, the mean values were correlated with the farmer estimates of wheat grain yield in order to assess relative information content. It is clear that the single best spectral temporal band for predicting yield is the 15 April red band (0.6-0.7 microns, band 5), with the 15 April green band (0.5-0.6 microns, band 4) a close second.

Nalepka, R. F.↗

Passive imaging through the turbulent atmosphere - Fundamental limits on the spatial frequency resolution of a rotational shearing interferometer

The signal-to-noise (S/N) ratio to be expected when a 180 deg rotationally shearing interferometer is used for image recovery at the diffraction limit of a large telescope is computed. The variance and covariance of the irradiance fluctuations at the detector array are shown to yield measures of the high-frequency spatial spectrum of the source. Four fundamental sources of noise are considered: temporal fluctuations of the source, space-time fluctuations of the atmosphere, shot noise in the detected photocurrents, and the effects of finite sampling. S/N is found to be directly proportional to the angular resolution of the telescope, the single-frame integration time, the square root of the number of frames, the cube of the operating wavelength, the quantum efficiency of the detector, and the average spectral irradiance from the source on the pupil. It is inversely proportional to the cube of the field angle subtended by the source (or part thereof) under study.

Burke, J. J.↗

Time dependent boundary conditions for hyperbolic systems

Nonreflecting boundary conditions are defined for multidimensional fluid dynamics problems where waves enter and leave the interior of a domain modeled by hyperbolic equations. Separate equations are defined for each type of incoming and outgoing wave. Temporally varying problems are considered in terms of a nonreflecting boundary condition which permit the amplitude of incoming waves to remain constant over time. Conservative expressions are presented that include dissipative terms. Applications of the computational techniques are illustrated with sample results for a traveling shock wave, a shock tube, a spherical explosion and expansion problems on one- and two-dimensions.

Thompson, Kevin W.↗

Spin-Up and Tuning of the Global Carbon Cycle Model Inside the GISS ModelE2 GCM

Planetary carbon cycle involves multiple phenomena, acting at variety of temporal and spacial scales. The typical times range from minutes for leaf stomata physiology to centuries for passive soil carbon pools and deep ocean layers. So, finding a satisfactory equilibrium state becomes a challenging and computationally expensive task. Here we present the spin-up processes for different configurations of the GISS Carbon Cycle model from the model forced with MODIS observed Leaf Area Index (LAI) and prescribed ocean to the prognostic LAI and to the model fully coupled to the dynamic ocean and ocean biology. We investigate the time it takes the model to reach the equilibrium and discuss the ways to speed up this process. NASA Goddard Institute for Space Studies General Circulation Model (GISS ModelE2) is currently equipped with all major algorithms necessary for the simulation of the Global Carbon Cycle. The terrestrial part is presented by Ent Terrestrial Biosphere Model (Ent TBM), which includes leaf biophysics, prognostic phenology and soil biogeochemistry module (based on Carnegie-Ames-Stanford model). The ocean part is based on the NASA Ocean Biogeochemistry Model (NOBM). The transport of atmospheric CO2 is performed by the atmospheric part of ModelE2, which employs quadratic upstream algorithm for this purpose.

Climate model↗

Defining Well Clear Separation for Unmanned Aircraft Systems Operating with Non-Cooperative Aircraft

Detect-and-Avoid (DAA) systems are essential to the safe operations of Unmanned Aircraft Systems, and have the objectives of mitigating collisions with and remaining Well Clear of manned aircraft. This paper analyzes four candidate DAA Well Clear definitions for non-cooperative aircraft using mitigated performance metrics of DAA systems. These DAA Well Clear definitions were proposed in previous work based on their unmitigated collision risk and maneuver initiation range. In this work they are evaluated using safety and operational suitability metrics computed from a large number of representative encounters. Results suggest that although the four candidate DAA Well Clear definitions provide comparable safety, the alerting characteristics give preference for the DAA Well Clear definition without a temporal parameter.

Chen, Christine C.↗

Defining Well Clear Separation for Unmanned Aircraft Systems Operating with Noncooperative Aircraft

Detect-and-Avoid (DAA) systems are essential to the safe operations of Unmanned Aircraft Systems, and have the objectives of mitigating collisions with and remaining Well Clear of manned aircraft. This paper analyzes four candidate DAA Well Clear definitions for non-cooperative aircraft using mitigated performance metrics of DAA systems. These DAA Well Clear definitions were proposed in previous work based on their unmitigated collision risk and maneuver initiation range. In this work they are evaluated using safety and operational suitability metrics computed from a large number of representative encounters. Results suggest that although the four candidate DAA Well Clear definitions provide comparable safety, the alerting characteristics give preference for the DAA Well Clear definition without a temporal parameter.

Well Clear↗

WMLES of Boundary-Layer Transition

An analysis of the potential for the accurate prediction of laminar-turbulent transition by Wall-Modeled Large-Eddy Simulation (WMLES) indicates that satisfactory prediction of transition by WMLES is possible, provided a) a sufficiently accurate wall model for the initial stage of transition is employed, b) a satisfactory transition is made between this initial-stage wall model and the wall model for the downstream fully-developed turbulence, and c) limitations on temporal and spatial resolution, and on the thickness of the wall-modeled region, imposed by the need to accurately resolve the disturbance waves and the transition region are observed. This is illustrated with WMLES computations of subharmonic transition in a flat-plate boundary layer that yield reasonable agreement with DNS results. However, the wall-modeled region thickness, and thus the cost savings, is less than is typical for WMLES of fully developed turbulence.

wall-modeled large-eddy simulation↗

WMLES of Boundary-Layer Transition

An analysis of the potential for the accurate prediction of laminar-turbulent transition by Wall-Modeled Large-Eddy Simulation (WMLES) indicates that satisfactory prediction of transition by WMLES is possible, provided a) a sufficiently accurate wall model for the initial stage of transition is employed, b) a satisfactory transition is made between this initial-stage wall model and the wall model for the downstream fully-developed turbulence, and c) limitations on temporal and spatial resolution, and on the thickness of the wall-modeled region, imposed by the need to accurately resolve the disturbance waves and the transition region are observed. This is illustrated with WMLES computations of subharmonic transition in a flat-plate boundary layer that yield reasonable agreement with DNS results. However, the wall-modeled region thickness, and thus the cost savings, is less than is typical for WMLES of fully developed turbulence.

Wall-modeled large-eddy simulation↗

STITCH: A Subgrid-Scale Model for Energy Buildup in the Solar Corona

The solar corona routinely exhibits explosive activity, in particular coronal mass ejections and their accompanying eruptive ares, that have global-scale consequences. These events and their smaller counterparts, coronal jets, originate in narrow, sinuous lament channels. The key processes that form and evolve the channels operate on still smaller spatial scales and much longer time scales, culminating in a vast separation of characteristic lengths and times that govern these explosive phenomena. In this article, we describe implementation and tests of an efficient subgrid-scale model for generating eruptive structures in magnetohydrodynamics (MHD) coronal simulations. STITCH {STatistical InjecTion of Condensed Helicity { is a physics-based, reduced representation of helicity condensation: a process wherein small-scale vortical surface convection forms ubiquitous current sheets, and pervasive reconnection across the sheets mediates an inverse cascade of magnetic helicity and free energy, thereby forming the lament channels. We have developed a formalism, STITCH, that abstracts these complex processes into a single term in Ohm's law and the induction equation that directly injects tangential magnetic flux into the low corona. We show that our approach is in very good agreement with a full helicity-condensation calculation that treats all of the dynamics explicitly, while enabling substantial reductions in temporal duration and spatial resolution. In addition, we illustrate the flexibility of STITCH at forming localized lament channels and at energizing complex surface flux distributions that have sinuous boundaries. STITCH is simple to implement and computationally ecient, making it a powerful technique for physics-based modeling of solar eruptive events.

J T Dahlin↗

Modeling of Transient Flow Mixing of Streams Injected into a Mixing Chamber

Ignition is recognized as one the critical drivers in the reliability of multiple-start rocket engines. Residual combustion products from previous engine operation can condense on valves and related structures thereby creating difficulties for subsequent starting procedures. Alternative ignition methods that require fewer valves can mitigate the valve reliability problem, but require improved understanding of the spatial and temporal propellant distribution in the pre-ignition chamber. Current design tools based mainly on one-dimensional analysis and empirical models cannot predict local details of the injection and ignition processes. The goal of this work is to evaluate the capability of the modern computational fluid dynamics (CFD) tools in predicting the transient flow mixing in pre-ignition environment by comparing the results with the experimental data. This study is a part of a program to improve analytical methods and methodologies to analyze reliability and durability of combustion devices. In the present paper we describe a series of detailed computational simulations of the unsteady mixing events as the cold propellants are first introduced into the chamber as a first step in providing this necessary environmental description. The present computational modeling represents a complement to parallel experimental simulations' and includes comparisons with experimental results from that effort. A large number of rocket engine ignition studies has been previously reported. Here we limit our discussion to the work discussed in Refs. 2, 3 and 4 which is both similar to and different from the present approach. The similarities arise from the fact that both efforts involve detailed experimental/computational simulations of the ignition problem. The differences arise from the underlying philosophy of the two endeavors. The approach in Refs. 2 to 4 is a classical ignition study in which the focus is on the response of a propellant mixture to an ignition source, with emphasis on the level of energy needed for ignition and the ensuing flame propagation issues. Our focus in the present paper is on identifying the unsteady mixing processes that provide the propellant mixture in which the ignition source is to be placed. In particular, we wish to characterize the spatial and temporal mixture distribution with a view toward identifying preferred spatial and temporal locations for the ignition source. As such, the present work is limited to cold flow (pre-ignition) conditions

Voytovych, Dmytro M.↗

Comparison of Computed and Measured Vortex Evolution for a UH-60A Rotor in Forward Flight

A Computational Fluid Dynamics (CFD) simulation using the Navier-Stokes equations was performed to determine the evolutionary and dynamical characteristics of the vortex flowfield for a highly flexible aeroelastic UH-60A rotor in forward flight. The experimental wake data were acquired using Particle Image Velocimetry (PIV) during a test of the fullscale UH-60A rotor in the National Full-Scale Aerodynamics Complex 40- by 80-Foot Wind Tunnel. The PIV measurements were made in a stationary cross-flow plane at 90 deg rotor azimuth. The CFD simulation was performed using the OVERFLOW CFD solver loosely coupled with the rotorcraft comprehensive code CAMRAD II. Characteristics of vortices captured in the PIV plane from different blades are compared with CFD calculations. The blade airloads were calculated using two different turbulence models. A limited spatial, temporal, and CFD/comprehensive-code coupling sensitivity analysis was performed in order to verify the unsteady helicopter simulations with a moving rotor grid system.

Evolution↗