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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 19 records

A Codesign Framework for Online Data Analysis and Reduction

In this paper we discuss our design of a toolset for automating performance studies of composed HPC applications that perform online data reduction and analysis. We describe Cheetah, a new framework for performing parametric studies on coupled applications. Cheetah facilitates understanding the impact of various factors such as process placement, synchronicity of algorithms, and storage vs. compute requirements for online analysis of large data. Ultimately, we aim to create a catalog of performance results that can help scientists understand tradeoffs when designing next-generation simulations that make use of online processing techniques. We illustrate the design choices of Cheetah by using a reaction-diffusion simulation (Gray-Scott) paired with an analysis application to demonstrate initial results of fine-grained process placement on Summit, a pre-exascale supercomputer at Oak Ridge National Laboratory.

Mehta, Kshitij↗

Data Trend Shifts Induced by Method of Concentration for Trace Metals in Seawater: Automated Online Preconcentration vs Borohydride Reductive Coprecipitation of Nearshore Seawater Samples for Analysis of Ni, Cu, Zn, Cd, and Pb via ICP-MS

This research compares performance, reproducibility, and detection limits of ambient seawater analysis for trace metals using both borohydride reductive co-precipitation and an automated chelation column (seaFAST™ 2) co-preconcentration for matrix interferent elimination on total and dissolved grab samples in nearshore to marine waters, over a broad concentration range, prior to ICP-MS injection. A move to an online preconcentration method both minimizes sample preparation, and eliminates correction errors when accounting for trace impurities in precipitated samples, induced via reagents. The reproducability of the online preconcentration method described, coupled with low blanks and method detection limits (MDLs), demonstrates an effective move to an automated procedure using ethylenediaminetriacetic and iminodiacetate acid chelation exchange resin and multi-analyte determination via ICP-MS for total and dissolved Ni, Cu, Zn, Cd, and Pb in marine water samples. Average CASS-5 recoveries using the online preconcentration method (n=9) were 109±7%, 104±5%, 103±7%, 101±3%, and 86±8% respectively. The MDLs obtained from the automated method for Ni, Cu, Zn, Cd and Pb were 3.3, 1.8, 13.5, 4, and 10 times lower, respectively, than for the Borohydride method. There were statistically significant differences between the methods for CASS-5 recoveries of Ni, Cu, Zn (p < 0.0001), and Pb (p = 0.0024). Comparison of methods gave high concordance (rC = 0.90) between methods for total and dissolved Ni, Cu, Zn, and Pb, and total Cd.

seaFAST, borohydride, seawater, Ethylenediaminetet↗

Fourier Transform Infrared Spectroscopy and Multivariate Analysis for Online Monitoring of Dibutyl Phosphate Degradation Product in Tributyl Phosphate/n-Dodecane/Nitric Acid Solvent

In liquid–liquid extraction separation processes, accumulation of organic solvent degradation products is detrimental to the process robustness, and frequent solvent analysis is warranted. Our research explores the feasibility of online monitoring of the organic solvents relevant to used nuclear fuel reprocessing. This paper describes the first phase of developing a system for monitoring the tributyl phosphate (TBP)/n-dodecane solvent commonly used to separate used nuclear fuel. In this investigation, the effect of extraction of nitric acid from aqueous solutions of variable concentrations on the quantification of TBP and its major degradation product dibutylphosphoric acid (HDBP) was assessed. Fourier transform infrared (FTIR) spectroscopy was used to discriminate between HDBP and TBP in the nitric acid-containing TBP/n-dodecane solvent. Multivariate analysis of the spectral data facilitated the development of regression models for HDBP and TBP quantification in real time, enabling online implementation of the monitoring system. The predictive regression models were validated using TBP/n-dodecane solvent samples subjected to high-dose external ?-irradiation. The predictive models were translated to flow conditions using a hollow fiber FTIR probe installed in a centrifugal contactor extraction apparatus, demonstrating the applicability of the FTIR technique coupled with multivariate analysis for the online monitoring of the organic solvent degradation products.

99 GENERAL AND MISCELLANEOUS↗

Online Learning of Effective Turbine Wind Speed in Wind Farms

To develop better wind farm controllers that can meet more complex objectives, methods of modeling the wind turbine wakes at low computational expense are needed. Gaussian process (GP) regression offers a computationally inexpensive framework for learning complex functions from noisy measurements with very few datapoints. In this work, an online learning approach is presented to learn the rotor-averaged wind velocity at downstream wind turbines with GPs, using the available datastream of wind field measurements and wind turbine control set-points. This framework can readily be integrated into model-based controls methods because the model a) is updated online at low computational expense, b) assumes a mathematically favorable Gaussian form, and c) explicitly quantifies the stochastic nature of the wake field so that the trade-off between exploration and exploitation, and the uncertainty in the prediction, can be utilized. We show that a GP-learned model can match true values with errors within 0.5% on average, with as few as 5 training data points.

Gaussian process↗

Method for automatic correction of offset drift in online sensors

Abstract Successful operation and optimization of water treatment systems hinge on the availability of high-quality online sensor measurements. Ideally, the available measurements should be simultaneously accurate (i.e., unbiased and precise), representative, voluminous, and timely. This remains a pain-point in current water infrastructures, forming a barrier to a wider adoption of advanced and autonomous control systems. While short-lived symptoms, such as outliers and spikes, can be detected or corrected with state-of-the-art tools for fault detection and identification, it is much more difficult to detect, diagnose, and correct the symptoms of slow faults, such as changes in offset or sensitivity due to drift. The time scale of drift is often longer than the time scales of the system dynamics of interest. Moreover, sensor drift has been shown to occur at the same time and with similar rates when sensors are exposed to the same conditions. This challenges data quality management strategies based on redundancy. In this contribution, we develop a new method, including both a hands-off sensor calibration mechanism and an information-seeking control architecture that can handle the unique challenge of simultaneous and similar drift in online sensors.

Chowdhury, Dhrubajit↗

Online distributed price-based control of DR resources with competitive guarantees

Demand response (DR) of building HVAC load can provide crucial demand-side flexibility for the future smart grid. Compared to direct load control, price-based control can respect the customers’ autonomy and privacy. However, it is challenging for price-based control to attain provable performance guarantees under future uncertainty. In this paper, we propose a framework for a utility to perform price-based control of flexible building load within the utility’s service area, in order to attain competitive performance guarantees in terms of controlling the system peak demand under future uncertainty. By adopting a two-step approach, our online price-based control solution can attain a provable competitive ratio for all possible realizations within a given uncertainty set. Simulation experiments demonstrate that, with a robustification procedure, our solution can perform well not only for worst-case inputs, but also for average-case inputs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Online data analysis and reduction: An important co-design motif for extreme-scale computers

A growing disparity between supercomputer computation speeds and I/O rates means that it is rapidly becoming infeasible to analyze supercomputer application output only after that output has been written to a file system. Instead, data-generating applications must run concurrently with data reduction and/or analysis operations, with which they exchange information via high-speed methods such as interprocess communications. The resulting parallel computing motif, online data analysis and reduction (ODAR), has important implications for both application and HPC systems design. Here we introduce the ODAR motif and its co-design concerns, describe a co-design process for identifying and addressing those concerns, present tools that assist in the co-design process, and present case studies to illustrate the use of the process and tools in practical settings.

Data Analysis↗

Online Characterization of Mixed Plastic Waste Using Machine Learning and Mid-Infrared Spectroscopy

To recycle the mixed plastic wastes (MPW), it is important to obtain the compositional information online in real time. We present a sensing framework based on a convolutional neural network (CNN) and mid-infrared spectroscopy (MIR) for the rapid and accurate characterization of MPW. The MPW samples are placed on a moving platform to mimic the industrial environment. The MIR spectra are collected at the rate of 100 Hz, and the proposed CNN architecture can reach an overall prediction accuracy close to 100%. Therefore, the proposed method paves the way toward the online MPW characterization in industrial applications where high throughput is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Online multi-objective Bayesian optimization of injection efficiency and beam lifetime with skew quadrupoles at NSLS-II

At NSLS-II, the vertical emittance of electron beam is typically blown up to ~30 pm with a coupling wave to increase beam lifetime during user operation. As more and more insertion devices are added to the storage ring, injection efficiency to the ring drops noticeably in certain machine states, apparently due to degraded dynamic apertures. To help alleviate this issue, we have recently performed online multi-objective Bayesian optimization to increase injection efficiency while maintaining beam lifetime, by adjusting the strengths of 15 skew quadrupoles in non-dispersive sections. We report the results of this optimization effort.

Hidaka, Yoshiteru [Brookhaven]↗

Application of an Online-Coupled Regional Climate Model, WRF-CAM5, over East Asia for Examination of Ice Nucleation Schemes: Part I. Comprehensive Model Evaluation and Trend Analysis for 2006 and 2011

Online-coupled climate and chemistry models are necessary to realistically represent the interactions between climate variables and chemical species and accurately simulate aerosol direct and indirect effects on cloud, precipitation, and radiation. In this Part I of a two-part paper, simulations from the Weather Research and Forecasting model coupled with the physics package of Community Atmosphere Model (WRF-CAM5) are conducted with the default heterogeneous ice nucleation parameterization over East Asia for two full years: 2006 and 2011. A comprehensive model evaluation is performed using satellite and surface observations. The model shows an overall acceptable performance for major meteorological variables at the surface and in the boundary layer, as well as column variables (e.g., precipitation, cloud fraction, precipitating water vapor, downward longwave and shortwave radiation). Moderate to large biases exist for cloud condensation nuclei over oceanic areas, cloud variables (e.g., cloud droplet number concentration, cloud liquid and ice water paths, cloud optical depth, longwave and shortwave cloud forcing). These biases indicate a need to improve the model treatments for cloud processes, especially cloud droplets and ice nucleation, as well as to reduce uncertainty in the satellite retrievals. The model simulates well the column abundances of chemical species except for column SO 2 but relatively poor for surface concentrations of several species such as CO, NO 2 , SO 2 , PM2.5, and PM10. Several reasons could contribute to the underestimation of major chemical species in East Asia including underestimations of anthropogenic emissions and natural dust emissions, uncertainties in the spatial and vertical distributions of the anthropogenic emissions, as well as biases in meteorological, radiative, and cloud predictions. Despite moderate to large biases in the chemical predictions, the model performance is generally consistent with or even better than that reported for East Asia with only a few exceptions. The model generally reproduces the observed seasonal variations and the difference between 2006 and 2011 for most variables or chemical species. Overall, these results demonstrate promising skills of WRF-CAM5 for long-term simulations at a regional scale and suggest several areas of potential improvements.

54 ENVIRONMENTAL SCIENCES↗

Evaluating Online Global Recovery with Fenix Using Application-Aware In-Memory Checkpointing Techniques

Exascale systems promise the potential for computation at unprecedented scales and resolutions, but achieving exascale by the end of this decade presents significant challenges. A key challenge is due to the very large number of cores and components and the resulting mean time between failures (MTBF) in the order of hours or minutes. Since the typical run times of target scientific applications are longer than this MTBF, fault tolerance techniques will be essential. An important class of failures that must be addressed is process or node failures. While checkpoint/restart (C/R) is currently the most widely accepted technique for addressing processor failures, coordinated, stable-storage-based global C/R might be unfeasible at exascale when the time to checkpoint exceeds the expected MTBF. This paper explores transparent recovery via implicitly coordinated, diskless, application-driven checkpointing as a way to tolerate process failures in MPI applications at exascale. The discussed approach leverages User Level Failure Mitigation (ULFM), which is being proposed as an MPI extension to allow applications to create policies for tolerating process failures. Specifically, this paper demonstrates how different implementations of application-driven in-memory checkpoint storage and recovery compare in terms of performance and scalability. We also experimentally evaluate the effectiveness and scalability of the Fenix online global recovery framework on a production system -the Titan Cray XK7 at ORNL- and demonstrate the ability of Fenix to tolerate dynamically injected failures using the execution of four benchmarks and mini-applications with different behaviors.

97 MATHEMATICS AND COMPUTING↗

Numerically stable, scalable formulas for parallel and online computation of higher-order multivariate central moments with arbitrary weights

Formulas for incremental or parallel computation of second order central moments have long been known, and recent extensions of these formulas to univariate and multivariate moments of arbitrary order have been developed. Such formulas are of key importance in scenarios where incremental results are required and in parallel and distributed systems where communication costs are high. We survey these recent results, and improve them with arbitrary-order, numerically stable one-pass formulas which we further extend with weighted and compound variants. We also develop a generalized correction factor for standard two-pass algorithms that enables the maintenance of accuracy over nearly the full representable range of the input, avoiding the need for extended-precision arithmetic. We then empirically examine algorithm correctness for pairwise update formulas up to order four as well as condition number and relative error bounds for eight different central moment formulas, each up to degree six, to address the trade-offs between numerical accuracy and speed of the various algorithms. Finally, we demonstrate the use of the most elaborate among the above mentioned formulas, with the utilization of the compound moments for a practical large-scale scientific application.

97 MATHEMATICS AND COMPUTING↗

Online remote control systems for static and dynamic compression and decompression using diamond anvil cells

The ability to remotely control pressure in diamond anvil cells (DACs) in accurate and consistent manner at room temperature, and at cryogenic and elevated temperatures, is crucial for effective and reliable operation of a high-pressure synchrotron facility such as High Pressure Collaborative Access Team (HPCAT). Over the last several years, a considerable effort has been made to develop instrumentation for remote and automated pressure control in DACs during synchrotron experiments. We have designed and implemented an array of modular pneumatic (double-diaphragm), mechanical (gearboxes), and piezoelectric devices and their combinations for controlling pressure and compression/decompression rate at various temperature conditions from 4 K in cryostats to several thousand Kelvin in laser-heated DACs. Because HPCAT is a user facility and diamond cells for user experiments are typically provided by users, our development effort has been focused on creating different loading mechanisms and frames for a variety of existing and commonly used diamond cells rather than designing specialized or dedicated diamond cells with various drives. In this paper, we review the available instrumentation for remote static and dynamic pressure control in DACs and show some examples of their applications to high pressure research.

47 OTHER INSTRUMENTATION↗